WorldWideScience

Sample records for structured diffuse scattering

  1. Diffuse scattering

    Energy Technology Data Exchange (ETDEWEB)

    Kostorz, G. [Eidgenoessische Technische Hochschule, Angewandte Physik, Zurich (Switzerland)

    1996-12-31

    While Bragg scattering is characteristic for the average structure of crystals, static local deviations from the average lattice lead to diffuse elastic scattering around and between Bragg peaks. This scattering thus contains information on the occupation of lattice sites by different atomic species and on static local displacements, even in a macroscopically homogeneous crystalline sample. The various diffuse scattering effects, including those around the incident beam (small-angle scattering), are introduced and illustrated by typical results obtained for some Ni alloys. (author) 7 figs., 41 refs.

  2. Predicting X-ray diffuse scattering from translation–libration–screw structural ensembles

    Energy Technology Data Exchange (ETDEWEB)

    Van Benschoten, Andrew H. [University of California San Francisco, San Francisco, CA 94158 (United States); Afonine, Pavel V. [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Terwilliger, Thomas C.; Wall, Michael E. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Jackson, Colin J. [Australian National University, Canberra, ACT 2601 (Australia); Sauter, Nicholas K. [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Adams, Paul D. [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); University of California Berkeley, Berkeley, CA 94720 (United States); Urzhumtsev, Alexandre [Institut de Génétique et de Biologie Moléculaire et Cellulaire, CNRS–INSERM–UdS, 1 Rue Laurent Fries, BP 10142, 67404 Illkirch (France); Université de Lorraine, BP 239, 54506 Vandoeuvre-les-Nancy (France); Fraser, James S., E-mail: james.fraser@ucsf.edu [University of California San Francisco, San Francisco, CA 94158 (United States)

    2015-07-28

    A method of simulating X-ray diffuse scattering from multi-model PDB files is presented. Despite similar agreement with Bragg data, different translation–libration–screw refinement strategies produce unique diffuse intensity patterns. Identifying the intramolecular motions of proteins and nucleic acids is a major challenge in macromolecular X-ray crystallography. Because Bragg diffraction describes the average positional distribution of crystalline atoms with imperfect precision, the resulting electron density can be compatible with multiple models of motion. Diffuse X-ray scattering can reduce this degeneracy by reporting on correlated atomic displacements. Although recent technological advances are increasing the potential to accurately measure diffuse scattering, computational modeling and validation tools are still needed to quantify the agreement between experimental data and different parameterizations of crystalline disorder. A new tool, phenix.diffuse, addresses this need by employing Guinier’s equation to calculate diffuse scattering from Protein Data Bank (PDB)-formatted structural ensembles. As an example case, phenix.diffuse is applied to translation–libration–screw (TLS) refinement, which models rigid-body displacement for segments of the macromolecule. To enable the calculation of diffuse scattering from TLS-refined structures, phenix.tls-as-xyz builds multi-model PDB files that sample the underlying T, L and S tensors. In the glycerophosphodiesterase GpdQ, alternative TLS-group partitioning and different motional correlations between groups yield markedly dissimilar diffuse scattering maps with distinct implications for molecular mechanism and allostery. These methods demonstrate how, in principle, X-ray diffuse scattering could extend macromolecular structural refinement, validation and analysis.

  3. Diffuse scattering and defect structure simulations a cook book using the program DISCUS

    CERN Document Server

    Neder, Reinhard B

    2009-01-01

    In recent years it has become apparent that knowing the average atomic structure of materials is insufficient to understand their properties. Diffuse scattering in addition to the Bragg scattering holds the key to learning about defects in materials, the topic of many recent books. What has been missing is a detailed step-by-step guide how to simulate disordered materials. The DISCUS cook book fills this need covering simple topics such as building a computer crystal to complextopic such as domain structures, stacking faults or using advanced refinement techniques to adjust parameters on a dis

  4. Cloaking through cancellation of diffusive wave scattering

    Science.gov (United States)

    Chen, P. Y.; Guenneau, S.; Bağcı, H.; Salama, K. N.; Alù, A.

    2016-01-01

    A new cloaking mechanism, which makes enclosed objects invisible to diffusive photon density waves, is proposed. First, diffusive scattering from a basic core–shell geometry, which represents the cloaked structure, is studied. The conditions of scattering cancellation in a quasi-static scattering regime are derived. These allow for tailoring the diffusivity constant of the shell enclosing the object so that the fields scattered from the shell and the object cancel each other. This means that the photon flow outside the cloak behaves as if the cloaked object were not present. Diffusive light invisibility may have potential applications in hiding hot spots in infrared thermography or tissue imaging. PMID:27616925

  5. Cloaking through cancellation of diffusive wave scattering

    KAUST Repository

    Farhat, Mohamed

    2016-08-10

    A new cloaking mechanism, which makes enclosed objects invisible to diffusive photon density waves, is proposed. First, diffusive scattering from a basic core-shell geometry, which represents the cloaked structure, is studied. The conditions of scattering cancellation in a quasi-static scattering regime are derived. These allow for tailoring the diffusivity constant of the shell enclosing the object so that the fields scattered from the shell and the object cancel each other. This means that the photon flow outside the cloak behaves as if the cloaked object were not present. Diffusive light invisibility may have potential applications in hiding hot spots in infrared thermography or tissue imaging. © 2016 The Author(s) Published by the Royal Society. All rights reserved.

  6. Diffuse scattering and the fundamental properties of materials

    CERN Document Server

    EIce, Gene; Barabash, Rozaliya

    2009-01-01

    Diffuse Scattering-the use of off-specular X-Rays and neutrons from surfaces and interfaces-has grown rapidly as a tool for characterizing the surface properties of materials and related fundamental structural properties. It has proven to be especially useful in the understanding of local properties within materials. This book reflects the efforts of physicists and materials scientists around the world who have helped to refine the techniques and applications of diffuse scattering. Major topics specifically covered include: -- Scattering in Low Dimensions -- Elastic and Thermal Diffuse Scattering from Alloys -- Scattering from Complex and Disordered Materials -- Scattering from Distorted Crystals.

  7. Crystal structure and charge distribution of pyrazine: effects of extinction, thermal diffuse scattering and series termination

    NARCIS (Netherlands)

    de With, G.; Harkema, Sybolt; Feil, D.

    1976-01-01

    The crystal structure and electronic charge distribution of pyrazine (1,4-diazabenzene) has been determined at 184 K by X-ray methods. The structural results of Wheatley [Acta Cryst. (1957), 10, 182-187] have been confirmed. A clear indication of bonding effects is obtained. Neither positional and

  8. Diffusion and scattering in multifractal clouds

    Energy Technology Data Exchange (ETDEWEB)

    Lovejoy, S. [McGill Univ., Montreal, Quebec (Canada); Schertzer, D. [Universite Pierre et Marie Curie, Paris (France); Waston, B. [St. Lawrence Univ., Canton, NY (United States)] [and others

    1996-04-01

    This paper describes investigations of radiative properties of multifractal clouds using two different approaches. In the first, diffusion is considered by examining the scaling properties of one dimensional random walks on media with multifractal diffusivities. The second approach considers the scattering statistics associated with radiative transport.

  9. Theory of diffusive light scattering cancellation cloaking

    CERN Document Server

    Farhat, Mohamed; Guenneau, Sebastien; Bagci, Hakan; Salama, Khaled Nabil; Alu, Andrea

    2016-01-01

    We report on a new concept of cloaking objects in diffusive light regime using the paradigm of the scattering cancellation and mantle cloaking techniques. We show numerically that an object can be made completely invisible to diffusive photon density waves, by tailoring the diffusivity constant of the spherical shell enclosing the object. This means that photons' flow outside the object and the cloak made of these spherical shells behaves as if the object were not present. Diffusive light invisibility may open new vistas in hiding hot spots in infrared thermography or tissue imaging.

  10. Diffuse neutron scattering from anion-excess strontium chloride

    DEFF Research Database (Denmark)

    Goff, J.P.; Clausen, K.N.; Fåk, B.

    1992-01-01

    The defect structure and diffusional processes have been studied in the anion-excess fluorite (Sr, Y)Cl2.03 by diffuse neutron scattering techniques. Static cuboctahedral clusters found at ambient temperature break up at temperatures below 1050 K, where the anion disorder is highly dynamic. The a...

  11. Diffuse reflectance relations based on diffusion dipole theory for large absorption and reduced scattering.

    Science.gov (United States)

    Bremmer, Rolf H; van Gemert, Martin J C; Faber, Dirk J; van Leeuwen, Ton G; Aalders, Maurice C G

    2013-08-01

    Diffuse reflectance spectra are used to determine the optical properties of biological samples. In medicine and forensic science, the turbid objects under study often possess large absorption and/or scattering properties. However, data analysis is frequently based on the diffusion approximation to the radiative transfer equation, implying that it is limited to tissues where the reduced scattering coefficient dominates over the absorption coefficient. Nevertheless, up to absorption coefficients of 20  mm-1 at reduced scattering coefficients of 1 and 11.5  mm-1, we observed excellent agreement (r2=0.994) between reflectance measurements of phantoms and the diffuse reflectance equation proposed by Zonios et al. [Appl. Opt.38, 6628-6637 (1999)], derived as an approximation to one of the diffusion dipole equations of Farrell et al. [Med. Phys.19, 879-888 (1992)]. However, two parameters were fitted to all phantom experiments, including strongly absorbing samples, implying that the reflectance equation differs from diffusion theory. Yet, the exact diffusion dipole approximation at high reduced scattering and absorption also showed agreement with the phantom measurements. The mathematical structure of the diffuse reflectance relation used, derived by Zonios et al. [Appl. Opt.38, 6628-6637 (1999)], explains this observation. In conclusion, diffuse reflectance relations derived as an approximation to the diffusion dipole theory of Farrell et al. can analyze reflectance ratios accurately, even for much larger absorption than reduced scattering coefficients. This allows calibration of fiber-probe set-ups so that the object's diffuse reflectance can be related to its absorption even when large. These findings will greatly expand the application of diffuse reflection spectroscopy. In medicine, it may allow the use of blue/green wavelengths and measurements on whole blood, and in forensic science, it may allow inclusion of objects such as blood stains and cloth at crime

  12. Diffuse scattering study of aspirin forms (I) and (II).

    Science.gov (United States)

    Chan, E J; Welberry, T R; Heerdegen, A P; Goossens, D J

    2010-12-01

    Full three-dimensional diffuse scattering data have been recorded for both polymorphic forms [(I) and (II)] of aspirin and these data have been analysed using Monte Carlo computer modelling. The observed scattering in form (I) is well reproduced by a simple harmonic model of thermally induced displacements. The data for form (II) show, in addition to thermal diffuse scattering (TDS) similar to that in form (I), diffuse streaks originating from stacking fault-like defects as well as other effects that can be attributed to strain induced by these defects. The present study has provided strong evidence that the aspirin form (II) structure is a true polymorph with a structure quite distinct from that of form (I). The diffuse scattering evidence presented shows that crystals of form (II) are essentially composed of large single domains of the form (II) lattice with a relatively small volume fraction of intrinsic planar defects or faults comprising misoriented bilayers of molecular dimers. There is evidence of some local aggregation of these defect bilayers to form small included regions of the form (I) structure. Evidence is also presented that shows that the strain effects arise from the mismatch of molecular packing between the defect region and the surrounding form (II) lattice. This occurs at the edges of the planar defects in the b direction only.

  13. Thermal diffuse scattering in transmission electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Forbes, B.D.; D' Alfonso, A.J. [School of Physics, University of Melbourne, Parkville, Victoria 3010 (Australia); Findlay, S.D. [School of Physics, Monash University, Victoria 3800 (Australia); Van Dyck, D. [EMAT, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp (Belgium); LeBeau, J.M. [North Carolina State University, Raleigh, NC 27695-7907 (United States); Stemmer, S. [Materials Department, University of California, Santa Barbara, CA 93106-5050 (United States); Allen, L.J., E-mail: lja@unimelb.edu.au [School of Physics, University of Melbourne, Parkville, Victoria 3010 (Australia)

    2011-12-15

    In conventional transmission electron microscopy, thermal scattering significantly affects the image contrast. It has been suggested that not accounting for this correctly is the main cause of the Stobbs factor, the ubiquitous, large contrast mismatch found between theory and experiment. In the case where a hard aperture is applied, we show that previous conclusions drawn from work using bright field scanning transmission electron microscopy and invoking the principle of reciprocity are reliable in the presence of thermal scattering. In the aperture-free case it has been suggested that even the most sophisticated mathematical models for thermal diffuse scattering lack in their numerical implementation, specifically that there may be issues in sampling, including that of the contrast transfer function of the objective lens. We show that these concerns can be satisfactorily overcome with modest computing resources; thermal scattering can be modelled accurately enough for the purpose of making quantitative comparison between simulation and experiment. Spatial incoherence of the source is also investigated. Neglect or inadequate handling of thermal scattering in simulation can have an appreciable effect on the predicted contrast and can be a significant contribution to the Stobbs factor problem. -- Highlights: Black-Right-Pointing-Pointer We determine the numerical requirements for accurate simulation of TDS in CTEM. Black-Right-Pointing-Pointer TDS can be simulated to high precision using the Born-Oppenheimer model. Black-Right-Pointing-Pointer Such calculations establish the contribution of TDS to the Stobbs factor problem. Black-Right-Pointing-Pointer Treating spatial incoherence using envelope functions increases image contrast. Black-Right-Pointing-Pointer Rigorous treatment of spatial incoherence significantly reduces image contrast.

  14. Diffuse neutron scattering study of Cu2−xSe

    DEFF Research Database (Denmark)

    Cava, R. J.; Andersen, Niels Hessel; Clausen, Kurt Nørgaard

    1986-01-01

    We have measured the diffuse neutron scattering in the hkk plane for Cu2Se and Cu1.8Se at 180°C and 51°C, respectively, in the cubic antifluorite type phase. The diffuse scattering shows significant structure, indicative of correlated short range mobile ion ordering. The short range order is found...

  15. Crystal defect studies using x-ray diffuse scattering

    Energy Technology Data Exchange (ETDEWEB)

    Larson, B.C.

    1980-01-01

    Microscopic lattice defects such as point (single atom) defects, dislocation loops, and solute precipitates are characterized by local electronic density changes at the defect sites and by distortions of the lattice structure surrounding the defects. The effect of these interruptions of the crystal lattice on the scattering of x-rays is considered in this paper, and examples are presented of the use of the diffuse scattering to study the defects. X-ray studies of self-interstitials in electron irradiated aluminum and copper are discussed in terms of the identification of the interstitial configuration. Methods for detecting the onset of point defect aggregation into dislocation loops are considered and new techniques for the determination of separate size distributions for vacancy loops and interstitial loops are presented. Direct comparisons of dislocation loop measurements by x-rays with existing electron microscopy studies of dislocation loops indicate agreement for larger size loops, but x-ray measurements report higher concentrations in the smaller loop range. Methods for distinguishing between loops and three-dimensional precipitates are discussed and possibilities for detailed studies considered. A comparison of dislocation loop size distributions obtained from integral diffuse scattering measurements with those from TEM show a discrepancy in the smaller sizes similar to that described above.

  16. About diffractive scattering of hypernuclei subLAMBDA sup 3 H and subLAMBDA sup 6 He on nuclei with allowance for the diffuseness of the nuclear edge, hypernuclear structure and multiple scattering effects

    CERN Document Server

    Evlanov, M V; Tartakovskij, V K

    2001-01-01

    The dependences of the elastic scattering differential cross sections and total cross sections for subLAMBDA sup 3 H and subLAMBDA sup 6 He hypernuclei on the magnitude of the nuclear edge diffuseness, the binding energy of the incident hypernuclei, on the finite ranges of the nuclear forces between clusters in hypernuclei, and on processes of multiple (double and triple) scattering are calculated with the use of the obtained convenient general formulae for elastic scattering amplitudes of two- and three-cluster weakly-bound nuclei on spherical nuclei for arbitrary dependence of profile functions on the impact parameter. The influence on the behavior of the cross sections during transition from two-cluster model to three-cluster one for the studied hypernuclei, is clarified as well

  17. Magnetic diffuse scattering: a theorist`s perspective

    Energy Technology Data Exchange (ETDEWEB)

    Long, M.W. [Birmingham Univ., School of Physics, Birmingham (United Kingdom)

    1996-11-01

    We attempt to show that magnetic diffuse scattering is the natural probe for frustrated antiferromagnetism. Comparison between nuclear and magnetic diffuse scattering compares the range of atomic clustering with the range of the magnetic impurity. At low temperature frustration is expected to lead to large differences which are a natural signature for the relevance of such frustration effects. We provide some elementary examples in first-row transition metals which display fairly dramatic effects. (author) 11 figs., tabs., 8 refs.

  18. Geometric phase coded metasurface: from polarization dependent directive electromagnetic wave scattering to diffusion-like scattering.

    Science.gov (United States)

    Chen, Ke; Feng, Yijun; Yang, Zhongjie; Cui, Li; Zhao, Junming; Zhu, Bo; Jiang, Tian

    2016-10-24

    Ultrathin metasurface compromising various sub-wavelength meta-particles offers promising advantages in controlling electromagnetic wave by spatially manipulating the wavefront characteristics across the interface. The recently proposed digital coding metasurface could even simplify the design and optimization procedures due to the digitalization of the meta-particle geometry. However, current attempts to implement the digital metasurface still utilize several structural meta-particles to obtain certain electromagnetic responses, and requiring time-consuming optimization especially in multi-bits coding designs. In this regard, we present herein utilizing geometric phase based single structured meta-particle with various orientations to achieve either 1-bit or multi-bits digital metasurface. Particular electromagnetic wave scattering patterns dependent on the incident polarizations can be tailored by the encoded metasurfaces with regular sequences. On the contrast, polarization insensitive diffusion-like scattering can also been successfully achieved by digital metasurface encoded with randomly distributed coding sequences leading to substantial suppression of backward scattering in a broadband microwave frequency. The proposed digital metasurfaces provide simple designs and reveal new opportunities for controlling electromagnetic wave scattering with or without polarization dependence.

  19. Diffusive scattering of electrons by electron holes around injection fronts

    Science.gov (United States)

    Vasko, I. Y.; Agapitov, O. V.; Mozer, F. S.; Artemyev, A. V.; Krasnoselskikh, V. V.; Bonnell, J. W.

    2017-03-01

    Van Allen Probes have detected nonlinear electrostatic spikes around injection fronts in the outer radiation belt. These spikes include electron holes (EH), double layers, and more complicated solitary waves. We show that EHs can efficiently scatter electrons due to their substantial transverse electric fields. Although the electron scattering driven by EHs is diffusive, it cannot be evaluated via the standard quasi-linear theory. We derive analytical formulas describing local electron scattering by a single EH and verify them via test particle simulations. We show that the most efficiently scattered are gyroresonant electrons (crossing EH on a time scale comparable to the local electron gyroperiod). We compute bounce-averaged diffusion coefficients and demonstrate their dependence on the EH spatial distribution (latitudinal extent and spatial filling factor) and individual EH parameters (amplitude of electrostatic potential, velocity, and spatial scales). We show that EHs can drive pitch angle scattering of ≲5 keV electrons at rates 10-2-10-4 s-1 and, hence, can contribute to electron losses and conjugated diffuse aurora brightenings. The momentum and pitch angle scattering rates can be comparable, so that EHs can also provide efficient electron heating. The scattering rates driven by EHs at L shells L ˜ 5-8 are comparable to those due to chorus waves and may exceed those due to electron cyclotron harmonics.

  20. Diffuse reflectance relations based on diffusion dipole theory for large absorption and reduced scattering

    NARCIS (Netherlands)

    Bremmer, Rolf H.; van Gemert, Martin J. C.; Faber, Dirk J.; van Leeuwen, Ton G.; Aalders, Maurice C. G.

    2013-01-01

    Diffuse reflectance spectra are used to determine the optical properties of biological samples. In medicine and forensic science, the turbid objects under study often possess large absorption and/or scattering properties. However, data analysis is frequently based on the diffusion approximation to

  1. LED lamp or bulb with remote phosphor and diffuser configuration with enhanced scattering properties

    Science.gov (United States)

    Tong, Tao; Le Toquin, Ronan; Keller, Bernd; Tarsa, Eric; Youmans, Mark; Lowes, Theodore; Medendorp, Jr., Nicholas W; Van De Ven, Antony; Negley, Gerald

    2014-11-11

    An LED lamp or bulb is disclosed that comprises a light source, a heat sink structure and an optical cavity. The optical cavity comprises a phosphor carrier having a conversions material and arranged over an opening to the cavity. The phosphor carrier comprises a thermally conductive transparent material and is thermally coupled to the heat sink structure. An LED based light source is mounted in the optical cavity remote to the phosphor carrier with light from the light source passing through the phosphor carrier. A diffuser dome is included that is mounted over the optical cavity, with light from the optical cavity passing through the diffuser dome. The properties of the diffuser, such as geometry, scattering properties of the scattering layer, surface roughness or smoothness, and spatial distribution of the scattering layer properties may be used to control various lamp properties such as color uniformity and light intensity distribution as a function of viewing angle.

  2. Acoustic vibrations contribute to the diffuse scatter produced by ribosome crystals

    Energy Technology Data Exchange (ETDEWEB)

    Polikanov, Yury S.; Moore, Peter B.

    2015-09-26

    The diffuse scattering pattern produced by frozen crystals of the 70S ribosome fromThermus thermophilusis as highly structured as it would be if it resulted entirely from domain-scale motions within these particles. However, the qualitative properties of the scattering pattern suggest that acoustic displacements of the crystal lattice make a major contribution to it.

  3. Evidence against the existence of strong diffuse x-ray scattering from gold twist boundaries at room temperature

    Energy Technology Data Exchange (ETDEWEB)

    Majid, I.; Bristowe, P.D.; Balluffi, R.W.

    1989-05-01

    Research on diffuse scattering from twist boundaries in gold is reported. In order to obtain an unambiguous measure of the diffuse scattering from the boundary, we developed a technique in which the total diffuse scattering is measured from the same specimen containing the boundary, and then not containing the boundary, and then determining any difference. This is accomplished by first measuring the diffuse scattering from the bilayer specimen containing the boundary. The specimen is then removed from its polymer film support and annealed gently at 175/degree/C in order to convert the metastable layered bicrystal into a more stable structure consisting of columnar grains separated by short transverse boundaries, as illustrated in Fig. 3(b). In this process, the original flat twist boundary is eliminated. The specimen is then remounted on a polymer film support in as reproducible a manner as possible, and the diffuse scattering is again measured. 13 refs., 6 figs.

  4. Evidence against the existence of strong diffuse X-ray scattering from gold twist boundaries at room temperature

    Science.gov (United States)

    Majid, I.; Bristowe, P. D.; Balluffi, R. W.

    1989-05-01

    Research on diffuse scattering from twist boundaries in gold is reported. In order to obtain an unambiguous measure of the diffuse scattering from the boundary, we developed a technique in which the total diffuse scattering is measured from the same specimen containing the boundary, and then not containing the boundary, and then determining any difference. This is accomplished by first measuring the diffuse scattering from the bilayer specimen containing the boundary. The specimen is then removed from its polymer film support and annealed gently at 175 C in order to convert the metastable layered bicrystal into a more stable structure consisting of columnar grains separated by short transverse boundaries. In this process, the original flat twist boundary is eliminated. The specimen is then remounted on a polymer film support in as reproducible a manner as possible, and the diffuse scattering is again measured.

  5. Suppression of Andreev reflection mediated transport by diffuse boundary scattering

    Science.gov (United States)

    Rahman, F.; Thornton, T. J.; Stradling, R. A.

    2002-05-01

    In systems consisting of strings of superconducting dots deposited on wet etched InAs/GaSb heterostructure wires we have observed a severe suppression of Andreev reflection mediated transport in the region of small bias. This effect can be attributed to diffuse boundary scattering from the edges of the wires and shows expected enhancements as the wires are made narrower and/or a magnetic field is applied perpendicular to the plane of the wires; both leading to an increase in boundary scattering. The length scales that govern this phenomenon appear consistent with experimental findings.

  6. Diffusion and multiple anisotropic scattering for global illumination in clouds

    Energy Technology Data Exchange (ETDEWEB)

    Max, N L; Schussman, G; Miyazaki, R; Iwasaki, K; Nishita, T

    2003-10-14

    The diffusion method is a good approximation inside the dense core of a cloud, but not at the more tenuous boundary regions. Also, it breaks down in regions where the density of scattering droplets is zero. We have enhanced it by using hardware cell projection volume rendering at cloud border voxels to account for the straight line light transport across these empty regions. We have also used this hardware volume rendering at key voxels in the low-density boundary regions to account for the multiple anisotropic scattering of the environment.

  7. Imaging Nonequilibrium Atomic Vibrations with X-ray Diffuse Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Trigo, M.; Chen, J.; Vishwanath, V.H.; /SLAC; Sheu, Y.M.; /Michigan U.; Graber, T.; Henning, R.; /U. Chicago; Reis, D; /SLAC /Stanford U., Appl. Phys. Dept.

    2011-03-03

    We use picosecond x-ray diffuse scattering to image the nonequilibrium vibrations of the lattice following ultrafast laser excitation. We present images of nonequilibrium phonons in InP and InSb throughout the Brillouin-zone which remain out of equilibrium up to nanoseconds. The results are analyzed using a Born model that helps identify the phonon branches contributing to the observed features in the time-resolved diffuse scattering. In InP this analysis shows a delayed increase in the transverse acoustic (TA) phonon population along high-symmetry directions accompanied by a decrease in the longitudinal acoustic (LA) phonons. In InSb the increase in TA phonon population is less directional.

  8. Diffuse scattering provides material parameters and electron density profiles of biomembranes.

    Science.gov (United States)

    Liu, Yufeng; Nagle, John F

    2004-04-01

    Fully hydrated stacks of DOPC lipid bilayer membranes generate large diffuse x-ray scattering that corrupts the Bragg peak intensities that are used in conventional biophysical structural analysis, but the diffuse scattering actually contains more information. Using an efficient algorithm for fitting extensive regions of diffuse data to classical smectic liquid crystalline theory we first obtain the compressional modulus B= 10(13) erg/ cm(4), which involves interactions between membranes, and the bending modulus K(c) =8x 10(-13) erg of the membranes. The membrane form factor F ( q(z) ) is then obtained for most values of q(z) up to 0.8 A(-1). The electron density profile rho(z) is obtained by fitting models to F( q(z) ). Constraining the models to conform to other measurements provides structural quantities such as area A=72.1+/-0.5 A(2) per lipid at the interface.

  9. Exploiting breakdown of the similarity relation for diffuse light transport: simultaneous retrieval of scattering anisotropy and diffusion constant

    Science.gov (United States)

    Svensson, T.; Savo, R.; Alerstam, E.; Vynck, K.; Burresi, M.; Wiersma, D. S.

    2013-02-01

    As manifested in the similarity relation of diffuse light transport, it is difficult to assess single scattering characteristics from multiply scattered light. We take advantage of the limited validity of the diffusion approximation of light transport and demonstrate, experimentally and numerically, that even deep into the multiple scattering regime, time-resolved detection of transmitted light allows simultaneous assessment of both single scattering anisotropy and scattering mean free path, and therefore also macroscopic parameters like the diffusion constant and the transport mean free path. This is achieved via careful assessment of early light and matching against Monte Carlo simulations of radiative transfer.

  10. Thermal diffuse scattering as a probe of large-wave-vector phonons in silicon nanostructures.

    Science.gov (United States)

    Gopalakrishnan, Gokul; Holt, Martin V; McElhinny, Kyle M; Spalenka, Josef W; Czaplewski, David A; Schülli, Tobias U; Evans, Paul G

    2013-05-17

    Large-wave-vector phonons have an important role in determining the thermal and electronic properties of nanoscale materials. The small volumes of such structures, however, have posed significant challenges to experimental studies of the phonon dispersion. We show that synchrotron x-ray thermal diffuse scattering can be adapted to probe phonons with wave vectors spanning the entire Brillouin zone of nanoscale silicon membranes. The thermal diffuse scattering signal from flat Si nanomembranes with thicknesses from 315 to 6 nm, and a sample volume as small as 5 μm(3), has the expected linear dependence on the membrane thickness and also exhibits excess intensity at large wave vectors, consistent with the scattering signature expected from low-lying large-wave-vector modes of the membranes.

  11. Light source distribution and scattering phase function influence light transport in diffuse multi-layered media

    Science.gov (United States)

    Vaudelle, Fabrice; L'Huillier, Jean-Pierre; Askoura, Mohamed Lamine

    2017-06-01

    Red and near-Infrared light is often used as a useful diagnostic and imaging probe for highly scattering media such as biological tissues, fruits and vegetables. Part of diffusively reflected light gives interesting information related to the tissue subsurface, whereas light recorded at further distances may probe deeper into the interrogated turbid tissues. However, modelling diffusive events occurring at short source-detector distances requires to consider both the distribution of the light sources and the scattering phase functions. In this report, a modified Monte Carlo model is used to compute light transport in curved and multi-layered tissue samples which are covered with a thin and highly diffusing tissue layer. Different light source distributions (ballistic, diffuse or Lambertian) are tested with specific scattering phase functions (modified or not modified Henyey-Greenstein, Gegenbauer and Mie) to compute the amount of backscattered and transmitted light in apple and human skin structures. Comparisons between simulation results and experiments carried out with a multispectral imaging setup confirm the soundness of the theoretical strategy and may explain the role of the skin on light transport in whole and half-cut apples. Other computational results show that a Lambertian source distribution combined with a Henyey-Greenstein phase function provides a higher photon density in the stratum corneum than in the upper dermis layer. Furthermore, it is also shown that the scattering phase function may affect the shape and the magnitude of the Bidirectional Reflectance Distribution (BRDF) exhibited at the skin surface.

  12. Simulation of diffuse photon migration in tissue by a Monte Carlo method derived from the optical scattering of spheroids.

    Science.gov (United States)

    Hart, Vern P; Doyle, Timothy E

    2013-09-01

    A Monte Carlo method was derived from the optical scattering properties of spheroidal particles and used for modeling diffuse photon migration in biological tissue. The spheroidal scattering solution used a separation of variables approach and numerical calculation of the light intensity as a function of the scattering angle. A Monte Carlo algorithm was then developed which utilized the scattering solution to determine successive photon trajectories in a three-dimensional simulation of optical diffusion and resultant scattering intensities in virtual tissue. Monte Carlo simulations using isotropic randomization, Henyey-Greenstein phase functions, and spherical Mie scattering were additionally developed and used for comparison to the spheroidal method. Intensity profiles extracted from diffusion simulations showed that the four models differed significantly. The depth of scattering extinction varied widely among the four models, with the isotropic, spherical, spheroidal, and phase function models displaying total extinction at depths of 3.62, 2.83, 3.28, and 1.95 cm, respectively. The results suggest that advanced scattering simulations could be used as a diagnostic tool by distinguishing specific cellular structures in the diffused signal. For example, simulations could be used to detect large concentrations of deformed cell nuclei indicative of early stage cancer. The presented technique is proposed to be a more physical description of photon migration than existing phase function methods. This is attributed to the spheroidal structure of highly scattering mitochondria and elongation of the cell nucleus, which occurs in the initial phases of certain cancers. The potential applications of the model and its importance to diffusive imaging techniques are discussed.

  13. A Process for Modelling Diffuse Scattering from Disordered Molecular Crystals, Illustrated by Application to Monoclinic 9-Chloro-10-methylanthracene

    Directory of Open Access Journals (Sweden)

    D. J. Goossens

    2015-01-01

    Full Text Available Diffuse scattering from a crystal contains valuable information about the two-body correlations (related to the nanoscale order in the material. Despite years of development, the detailed analysis of single crystal diffuse scattering (SCDS has yet to become part of the everyday toolbox of the structural scientist. Recent decades have seen the pair distribution function approach to diffuse scattering (in fact, total scattering from powders become a relatively routine tool. However, analysing the detailed, complex, and often highly anisotropic three-dimensional distribution of SCDS remains valuable yet rare because there is no routine method for undertaking the analysis. At present, analysis requires significant investment of time to develop specialist expertise, which means that the analysis of diffuse scattering, which has much to offer, is not incorporated thorough studies of many compounds even though it has the potential to be a very useful adjunct to existing techniques. This article endeavours to outline in some detail how the diffuse scattering from a molecular crystal can be modelled relatively quickly and largely using existing software tools. It is hoped this will provide a template for other studies. To enable this, the entire simulation is included as deposited material.

  14. Hydrogen diffusion in potassium intercalated graphite studied by quasielastic neutron scattering

    Science.gov (United States)

    Purewal, Justin; Keith, J. Brandon; Ahn, Channing C.; Brown, Craig M.; Tyagi, Madhusudan; Fultz, Brent

    2012-12-01

    The graphite intercalation compound KC24 adsorbs hydrogen gas at low temperatures up to a maximum stoichiometry of KC24(H2)2, with a differential enthalpy of adsorption of approximately -9 kJ mol-1. The hydrogen molecules and potassium atoms form a two-dimensional condensed phase between the graphite layers. Steric barriers and strong adsorption potentials are expected to strongly hinder hydrogen diffusion within the host KC24 structure. In this study, self-diffusion in a KC24(H2)0.5 sample is measured experimentally by quasielastic neutron scattering and compared to values from molecular dynamics simulations. Self-diffusion coefficients are determined by fits of the experimental spectra to a honeycomb net diffusion model and found to agree well with the simulated values. The experimental H2 diffusion coefficients in KC24 vary from 3.6 × 10-9 m2 s-1 at 80 K to 8.5 × 10-9 m2 s-1 at 110 K. The measured diffusivities are roughly an order of magnitude lower that those observed on carbon adsorbents, but compare well with the rate of hydrogen self-diffusion in molecular sieve zeolites.

  15. Neutron scattering studies of modulated magnetic structures

    Energy Technology Data Exchange (ETDEWEB)

    Aagaard Soerensen, Steen

    1999-08-01

    This report describes investigations of the magnetic systems DyFe{sub 4}Al{sub 8} and MnSi by neutron scattering and in the former case also by X-ray magnetic resonant scattering. The report is divided into three parts: An introduction to the technique of neutron scattering with special emphasis on the relation between the scattering cross section and the correlations between the scattering entities of the sample. The theoretical framework of neutron scattering experiments using polarized beam technique is outlined. The second part describes neutron and X-ray scattering investigation of the magnetic structures of DyFe{sub 4}Al{sub 8}. The Fe sublattice of the compound order at 180 K in a cycloidal structure in the basal plane of the bct crystal structure. At 25 K the ordering of the Dy sublattice shows up. By the element specific technique of X-ray resonant magnetic scattering, the basal plane cycloidal structure was also found for the Dy sublattice. The work also includes neutron scattering studies of DyFe{sub 4}Al{sub 8} in magnetic fields up to 5 T applied along a <110> direction. The modulated structure at the Dy sublattice is quenched by a field lower than 1 T, whereas modulation is present at the Fe sublattice even when the 5 T field is applied. In the third part of the report, results from three small angle neutron experiments on MnSi are presented. At ambient pressure, a MnSi is known to form a helical spin density wave at temperature below 29 K. The application of 4.5 kbar pressure intended as hydrostatic decreased the Neel temperature to 25 K and changed the orientation of the modulation vector. To understand this reorientation within the current theoretical framework, anisotropic deformation of the sample crystal must be present. The development of magnetic critical scattering with an isotropic distribution of intensity has been studied at a level of detail higher than that of work found in the literature. Finally the potential of a novel polarization

  16. Ultrafast laser-induced melting and ablation studied by time-resolved diffuse X-ray scattering

    Directory of Open Access Journals (Sweden)

    Meyer zu Heringdorf F.

    2013-03-01

    Full Text Available Time-resolved diffuse X-ray scattering with 50 fs, 9.5 keV X-ray pulses from the Linear Coherent Light Source was used to study the structural dynamics in materials undergoing rapid melting and ablation after fs laser excitation.

  17. Benchmarking a first-principles thermal neutron scattering law for water ice with a diffusion experiment

    Science.gov (United States)

    Holmes, Jesse; Zerkle, Michael; Heinrichs, David

    2017-09-01

    The neutron scattering properties of water ice are of interest to the nuclear criticality safety community for the transport and storage of nuclear materials in cold environments. The common hexagonal phase ice Ih has locally ordered, but globally disordered, H2O molecular orientations. A 96-molecule supercell is modeled using the VASP ab initio density functional theory code and PHONON lattice dynamics code to calculate the phonon vibrational spectra of H and O in ice Ih. These spectra are supplied to the LEAPR module of the NJOY2012 nuclear data processing code to generate thermal neutron scattering laws for H and O in ice Ih in the incoherent approximation. The predicted vibrational spectra are optimized to be representative of the globally averaged ice Ih structure by comparing theoretically calculated and experimentally measured total cross sections and inelastic neutron scattering spectra. The resulting scattering kernel is then supplied to the MC21 Monte Carlo transport code to calculate time eigenvalues for the fundamental mode decay in ice cylinders at various temperatures. Results are compared to experimental flux decay measurements for a pulsed-neutron die-away diffusion benchmark.

  18. Heterodyne x-ray diffuse scattering from coherent phonons.

    Science.gov (United States)

    Kozina, M; Trigo, M; Chollet, M; Clark, J N; Glownia, J M; Gossard, A C; Henighan, T; Jiang, M P; Lu, H; Majumdar, A; Zhu, D; Reis, D A

    2017-09-01

    Here, we report Fourier-transform inelastic x-ray scattering measurements of photoexcited GaAs with embedded ErAs nanoparticles. We observe temporal oscillations in the x-ray scattering intensity, which we attribute to inelastic scattering from coherent acoustic phonons. Unlike in thermal equilibrium, where inelastic x-ray scattering is proportional to the phonon occupation, we show that the scattering is proportional to the phonon amplitude for coherent states. The wavevectors of the observed phonons extend beyond the excitation wavevector. The nanoparticles break the discrete translational symmetry of the lattice, enabling the generation of large wavevector coherent phonons. Elastic scattering of x-ray photons from the nanoparticles provides a reference for heterodyne mixing, yielding signals proportional to the phonon amplitude.

  19. Reflection Matrix Method for Controlling Light After Reflection From a Diffuse Scattering Surface

    Science.gov (United States)

    2016-12-22

    REFLECTION MATRIX METHOD FOR CONTROLLING LIGHT AFTER REFLECTION FROM A DIFFUSE SCATTERING SURFACE DISSERTATION Kenneth W. Burgi, Major, USAF AFIT-ENP...work of the U.S. Government and is not subject to copyright protection in the United States. AFIT-ENP-DS-16-D-011 REFLECTION MATRIX METHOD FOR...ENP-DS-16-D-011 REFLECTION MATRIX METHOD FOR CONTROLLING LIGHT AFTER REFLECTION FROM A DIFFUSE SCATTERING SURFACE DISSERTATION Kenneth W. Burgi, BS

  20. Measurement and Interpretation of Diffuse Scattering in X-Ray Diffraction for Macromolecular Crystallography

    Energy Technology Data Exchange (ETDEWEB)

    Wall, Michael E. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-10-16

    X-ray diffraction from macromolecular crystals includes both sharply peaked Bragg reflections and diffuse intensity between the peaks. The information in Bragg scattering reflects the mean electron density in the unit cells of the crystal. The diffuse scattering arises from correlations in the variations of electron density that may occur from one unit cell to another, and therefore contains information about collective motions in proteins.

  1. K correlations and facet models in diffuse scattering

    NARCIS (Netherlands)

    Hoenders, B.J.; Jakeman, E.; Baltes, H.P.; Steinle, B.

    1979-01-01

    The angular intensity distribution of radiation scattered by a wide range of random media can be accounted for by assuming effective source amplitude correlations involving modified Bessel functions Kv. We investigate how such correlations can be derived from physical models of stochastic scattering

  2. Lithium diffusion in silicon and induced structure disorder: A molecular dynamics study

    Directory of Open Access Journals (Sweden)

    Huanyu Wang

    2013-11-01

    Full Text Available Using molecular dynamics method, we investigate the diffusion property of lithium in different silicon structures and silicon structure's disorder extent during lithium's diffusion process. We find that the pathway and the incident angle between the direction of barrier and diffusion of lithium are also the essential factors to the lithium's diffusion property in silicon anode besides the barrier. Smaller incident angle could decrease the scattering of lithium in silicon structure effectively. Moreover, lithium diffuses easier in the Li-Si alloy structure of higher lithium concentration with deeper injection depth. The silicon's structure will be damaged gradually during the charge and discharge process. However, it will also recover to initial state to a great extent after relaxation. Therefore, the damage of lithium diffusion to silicon anode in the structure of low lithium concentration is reversible to a great degree. In addition, the silicon structure of crystal orientation perform better properties in both lithium's diffusivity and structural stability.

  3. A rotational diffusion coefficient of the 70s ribosome determined by depolarized laser light scattering

    NARCIS (Netherlands)

    Bruining, J.; Fijnaut, H.M.

    We have obtained a rotational diffusion coefficient of the 70S ribosome isolated from Escherichia-coli (MRE-600), from the depolarized light scattering spectrum measured by photon correlation spectroscopy. The intensity correlation function of depolarized scattered light contains contributions due

  4. Hydrogen rotational and translational diffusion in calcium borohydride from quasielastic neutron scattering and DFT

    DEFF Research Database (Denmark)

    Blanchard, Didier; Riktor, M.D.; Maronsson, Jon Bergmann

    2010-01-01

    Hydrogen dynamics in crystalline calcium borohydride can be initiated by long-range diffusion or localized motion such as rotations, librations, and vibrations. Herein, the rotational and translational diffusion were studied by quasielastic neutron scattering (QENS) by using two instruments with ...

  5. Impact of Strong Scattering Resonances on Ballistic and Diffusive Wave Transport

    Science.gov (United States)

    Tallon, Benoit; Brunet, Thomas; Page, John H.

    2017-10-01

    The strong impact of scattering resonances on all the key transport parameters of classical waves in disordered media is demonstrated through ultrasonic experiments on monodisperse emulsions. Through accurate measurements of both ballistic and diffusive transport over a wide range of frequencies, we show that the group velocity is large near sharp resonances, whereas the energy velocity (as well as the diffusion coefficient) is significantly slowed down by resonant scattering delay. Excellent agreement between theory and experiment is found, elucidating the effects of resonant scattering on wave transport in both acoustics and optics.

  6. Density-dependent electron scattering in photoexcited GaAs in strongly diffusive regime

    DEFF Research Database (Denmark)

    Mics, Zoltán; D’Angio, Andrea; Jensen, Søren A.

    2013-01-01

    In a series of systematic optical pump–terahertz probe experiments, we study the density-dependent electron scattering rate in photoexcited GaAs in the regime of strong carrier diffusion. The terahertz frequency-resolved transient sheet conductivity spectra are perfectly described by the Drude...... model, directly yielding the electron scattering rates. A diffusion model is applied to determine the spatial extent of the photoexcited electron-hole gas at each moment after photoexcitation, yielding the time-dependent electron density, and hence the density-dependent electron scattering time. We find...

  7. Derivation of Inter-Atomic Force Constants of Cu2O from Diffuse Neutron Scattering Measurement

    Directory of Open Access Journals (Sweden)

    T. Makhsun

    2013-04-01

    Full Text Available Neutron scattering intensity from Cu2O compound has been measured at 10 K and 295 K with High Resolution Powder Diffractometer at JRR-3 JAEA. The oscillatory diffuse scattering related to correlations among thermal displacements of atoms was observed at 295 K. The correlation parameters were determined from the observed diffuse scattering intensity at 10 and 295 K. The force constants between the neighboring atoms in Cu2O were estimated from the correlation parameters and compared to those of Ag2O

  8. Structural and dynamical study about denatured states of yeast phosphoglycerate kinase by neutrons scattering and X-rays; Etude structurale et dynamique des etats denatures de la phosphoglycerate kinase de levure par diffusion des neutrons et des rayons X

    Energy Technology Data Exchange (ETDEWEB)

    Receveur, V

    1997-04-28

    During a long time, the neutron scattering and X-rays techniques have not been used for the studies bearing on the folding of proteins. The compactness and the globularness of a protein are two structural characteristics describing the denatured states and the intermediate states of folding, and the neutrons and x-rays scattering are probably the two techniques the most appropriate to give this kind of information; they are sensible to the spatial extent and to the molecules compactness, and to their general shape. For these three or four last years, the works using these techniques are increasing, giving precious knowledge on the different steps of folding and on the interactions stabilizing the denatured or intermediate states. This thesis falls into this category. (N.C.).

  9. An experimental evaluation of the impact of scattering on sound field diffusivity.

    Science.gov (United States)

    Prodi, Nicola; Visentin, Chiara

    2013-02-01

    This work provides a systematic experimental evaluation of the impact of scattering on sound field diffusivity in a proportionate medium-small sized room. A scale model is set up in many ways by increasing the amount of scattering, and detailing measurements of the reverberation time in each case. With the aid of statistical tools, the role of scattering in the process of achieving a diffuse sound field from initially non-diffuse conditions is outlined and a set of reference scattering threshold values is derived. It is found that the same values ensure the validity of the Sabine formula when corrections are adopted in its application. Reverberation time is also predicted in non-diffuse conditions by the Nilsson approach, and its performance is systematically compared with measurements. The Nilsson method was a better predictor of reverberation time under non-diffuse conditions than classical reverberation time formulas. However, for diffuse sound fields, the same method tended to diverge from measured values. An application using more realistic room conditions is developed together with computer simulations. The results outline that there is limited benefit to using computer-aided design models instead of simple formulas to predict reverberation time for non-diffuse sound fields in proportionate medium-small sized rooms.

  10. Monitoring structure development in milk acidification using diffuse reflectance profiles

    DEFF Research Database (Denmark)

    Skytte, Jacob Lercke; Andersen, Ulf; Møller, Flemming

    2012-01-01

    , protein, and temperature in the acidification process is conducted. The purpose of the experiment is to investigate how the change of these parameters affects the diffuse reflectance properties as well as to demonstrate the relation between the optical parameters and structure formation in milk...... based on hyper-spectral light scattering. Our approach is motivated by Carstensen and Møller [2]. They demonstrated the correlation between diffuse reflectance profiles and rheology of a milk sample during acidification. In this work we employ a super-continuum laser light source coupled with an acousto......-invasive method, the system also has potential as a design platform for creating specialized and cost-efficient vision systems. Our preliminary results are highly encouraging and show a clear relation between rheology and diffuse reflectance. A factorial experiment studying the effects of the content of fat...

  11. Emergent spatial synaptic structure from diffusive plasticity.

    Science.gov (United States)

    Sweeney, Yann; Clopath, Claudia

    2017-04-01

    Some neurotransmitters can diffuse freely across cell membranes, influencing neighbouring neurons regardless of their synaptic coupling. This provides a means of neural communication, alternative to synaptic transmission, which can influence the way in which neural networks process information. Here, we ask whether diffusive neurotransmission can also influence the structure of synaptic connectivity in a network undergoing plasticity. We propose a form of Hebbian synaptic plasticity which is mediated by a diffusive neurotransmitter. Whenever a synapse is modified at an individual neuron through our proposed mechanism, similar but smaller modifications occur in synapses connecting to neighbouring neurons. The effects of this diffusive plasticity are explored in networks of rate-based neurons. This leads to the emergence of spatial structure in the synaptic connectivity of the network. We show that this spatial structure can coexist with other forms of structure in the synaptic connectivity, such as with groups of strongly interconnected neurons that form in response to correlated external drive. Finally, we explore diffusive plasticity in a simple feedforward network model of receptive field development. We show that, as widely observed across sensory cortex, the preferred stimulus identity of neurons in our network become spatially correlated due to diffusion. Our proposed mechanism of diffusive plasticity provides an efficient mechanism for generating these spatial correlations in stimulus preference which can flexibly interact with other forms of synaptic organisation. © 2016 Federation of European Neuroscience Societies and John Wiley & Sons Ltd.

  12. Parallel acceleration of diffuse scattering model for indoor radio prediction by CUDA

    Science.gov (United States)

    Meng, Xiao; Guo, Li-xin; Tao, Wei

    2013-10-01

    Radio wave propagation prediction is very important for the design of the mobile communication network. The raytracing algorithm is a commonly used computational method for site-specific prediction of the radio channel characteristics of wireless communication systems. However, it does not consider the diffuse scattering. Therefore, an indoor diffuse scattering model which based on diffuse scattering theory and FDTD is established. The diffuse scattering of indoor walls and ceiling and floor is calculated at a series of discrete time instance in this method. In recent years, the compute unified device architecture (CUDA) of NVIDIA takes advantage of the GPU for parallel computing, and greatly improve the speed of computation. Because there is a large number of data to deal with, in order to reduce the computation time, a GPU-based diffuse scattering model for indoor radio prediction is introduced in this paper, which fully utilizes the parallel processing capabilities of CUDA to further improve the computational efficiency. It can be found that good acceleration effect has been achieved.

  13. Diffuse Scattering as an Aid to the Understanding of Polymorphism in Pharmaceuticals

    Energy Technology Data Exchange (ETDEWEB)

    Welberry, T.R.; Chan, E.J.; Goossens, D.J.; Heerdegen, A.P. (ANU)

    2012-04-30

    Polymorphism occurs when the same molecular compound can crystallize in more than one distinct crystal structure. Its study is a field of great interest and activity. This is largely driven by its importance in the pharmaceutical industry, but polymorphism is also an issue in the pigments, dyes, and explosives industries. The polymorph formed by a compound generally exerts a strong influence on its solid-state properties. The polymorphic form of a drug molecule may affect the ease of manufacture and processing, shelf life, and most significantly the rate of uptake of the molecule by the human body. They can even vary in toxicity; one polymorph may be safe, while a second may be toxic. In this review of recently published work, we show how diffuse scattering experiments coupled with Monte Carlo (MC) computer modeling can aid in the understanding of polymorphism. Examples of the two common pharmaceuticals, benzocaine and aspirin, both of which are bimorphic, at ambient temperatures, are discussed.

  14. Diffuse Scattering as an Aid to the Understanding of Polymorphism in Pharmaceuticals

    Science.gov (United States)

    Welberry, T. R.; Chan, E. J.; Goossens, D. J.; Heerdegen, A. P.

    2012-05-01

    Polymorphism occurs when the same molecular compound can crystallize in more than one distinct crystal structure. Its study is a field of great interest and activity. This is largely driven by its importance in the pharmaceutical industry, but polymorphism is also an issue in the pigments, dyes, and explosives industries. The polymorph formed by a compound generally exerts a strong influence on its solid-state properties. The polymorphic form of a drug molecule may affect the ease of manufacture and processing, shelf life, and most significantly the rate of uptake of the molecule by the human body. They can even vary in toxicity; one polymorph may be safe, while a second may be toxic. In this review of recently published work, we show how diffuse scattering experiments coupled with Monte Carlo (MC) computer modeling can aid in the understanding of polymorphism. Examples of the two common pharmaceuticals, benzocaine and aspirin, both of which are bimorphic, at ambient temperatures, are discussed.

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

    Science.gov (United States)

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

    2012-01-01

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

  16. The measurement of self-diffusion coefficients in liquid metals with quasielastic neutron scattering

    OpenAIRE

    Meyer, A.

    2015-01-01

    Quasielastic incoherent neutron scattering (QENS) has proven to be a versatile tool to study self diffusion of atoms in liquid metals. Here it is shown, that coherent contributions to the signal in the small q limit appear as a flat and energy independent constant to the QENS signal in single-component liquid metals even for systems with a small incoherent scattering cross section, like aluminum. Container-less processing via electromagnetic or electrostatic levitation devices, especially des...

  17. Molecular anisotropy effects in carbon K-edge scattering: depolarized diffuse scattering and optical anisotropy

    Energy Technology Data Exchange (ETDEWEB)

    Stone, Kevin H.

    2014-07-14

    Some polymer properties, such as conductivity, are very sensitive to short- and intermediate-range orientational and positional ordering of anisotropic molecular functional groups, and yet means to characterize orientational order in disordered systems are very limited. We demonstrate that resonant scattering at the carbon K-edge is uniquely sensitive to short-range orientation correlations in polymers through depolarized scattering at high momentum transfers, using atactic polystyrene as a well-characterized test system. Depolarized scattering is found to coexist with unpolarized fluorescence, and to exhibit pronounced anisotropy. We also quantify the spatially averaged optical anisotropy from low-angle reflectivity measurements, finding anisotropy consistent with prior visible, x-ray absorption, and theoretical studies. The average anisotropy is much smaller than that in the depolarized scattering and the two have different character. Both measurements exhibit clear spectral signatures from the phenyl rings and the polyethylene-like backbone. Discussion focuses on analysis considerations and prospects for using this depolarized scattering for studies of disorder in soft condensed matter.

  18. Information on real-structure phenomena in metastable GeTe-rich germanium antimony tellurides (GeTe){sub n}Sb{sub 2}Te{sub 3} (n ≥ 3) by semi-quantitative analysis of diffuse X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Urban, Philipp; Oeckler, Oliver [Leipzig Univ. (Germany). Faculty of Chemistry and Mineralogy; Schneider, Matthias N.; Seemann, Marten [Munich Univ. (Germany). Dept. of Chemistry; Wright, Jonathan P. [ESRF - The European Synchrotron, Grenoble (France)

    2015-07-01

    Quenching cubic high-temperature polymorphs of (GeTe){sub n}Sb{sub 2}Te{sub 3} (n ≥ 3) yields metastable phases whose average structures can be approximated by the rocksalt type with 1/(n + 3) cation vacancies per anion. Corresponding diffraction patterns are a superposition of intensities from individual twin domains with trigonal average structure but pseudo-cubic metrics. Their four orientations are mirrored in structured diffuse streaks that interconnect Bragg reflections along the [001] directions of individual disordered trigonal domains. These streaks exhibit a ''comet-like'' shape with a maximum located at the low-angle side of Bragg positions (''comet head'') accompanied by a diffuse ''comet tail''. 2D extended cation defect ordering leads to parallel but not equidistantly spaced planar faults. Based on a stacking fault approach, the diffuse scattering was simulated with parameters that describe the overall metrics, the concentration and distribution of cation defect layers, atom displacements in their vicinity and the stacking sequence of Te atom layers around the planar defects. These parameters were varied in order to derive simple rules for the interpretation of the diffuse scattering. The distance between Bragg positions and ''comet heads'' increases with the frequency of planar faults. A sharp distance distribution of the planar faults leads to an intensity modulation along the ''comet tail'' which for low values of n approximates superstructure reflections. The displacement of atom layers towards the planar defects yields ''comets'' on the low-angle side of Bragg positions. A rocksalt-type average structure is only present if the planar defects correspond to missing cation layers in the ''cubic'' ABC stacking sequence of the Te atom layers. An increasing amount of hexagonal ABA transitions around the defect

  19. Study of water diffusion on single-supported bilayer lipid membranes by quasielastic neutron scattering

    DEFF Research Database (Denmark)

    Bai, M.; Miskowiec, A.; Hansen, F. Y.

    2012-01-01

    High-energy-resolution quasielastic neutron scattering has been used to elucidate the diffusion of water molecules in proximity to single bilayer lipid membranes supported on a silicon substrate. By varying sample temperature, level of hydration, and deuteration, we identify three different types...

  20. Scattering and/or diffusing elements in a variety of recently completed music auditoria

    Science.gov (United States)

    McKay, Ronald L.

    2002-11-01

    Architectural elements which provide effective acoustic scattering and/or diffusion in a variety of recently completed auditoria for music performance will be presented. Color slides depicting the various elements will be shown. Each will be discussed with respect to its acoustic performance and architectural logic. Measured time-energy reflection patterns will be presented in many cases.

  1. Picosecond Raman spectroscopy with a fast intensified CCD camera for depth analysis of diffusely scattering media

    NARCIS (Netherlands)

    Ariese, F.; Meuzelaar, H.; Kerssens, M.M.; Buijs, J.B.; Gooijer, C.

    2009-01-01

    A spectroscopic depth profiling approach is demonstrated for layers of non-transparent, diffusely scattering materials. The technique is based on the temporal discrimination between Raman photons emitted from the surface and Raman photons originating from a deeper layer. Excitation was carried out

  2. Diffuse X-ray scattering and far infrared absorption of barium and lead β" aluminas

    DEFF Research Database (Denmark)

    Hayes, W.; Kjær, Kristian; Pratt, F. L.

    1985-01-01

    The authors have carried out high-momentum-resolution studies in diffuse X-ray scattering of barium and lead B" aluminas in the temperature range 20-700 degrees C. They have also measured the vibrational spectra of these compounds between 2K and 300K in the energy range 10-100 cm-1. The results...

  3. Water diffusion through compacted clays analyzed by neutron scattering and tracer experiments

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez Sanchez, F

    2007-11-15

    Clay minerals are aluminium phyllosilicates, mostly products of the chemical alteration and mechanical breakdown of igneous and metamorphic rocks. Their physical and chemical properties can be directly related to their layered, fine-grained (large surface area) structure. These properties such as large water retention, low hydraulic conductivity, heat resistance and ionic exchange capacities, make clays ideal for many different applications, e.g. as sealing material for the underground disposal of radioactive waste. The long-term disposal of radioactive waste in an underground geological repository is based on a multibarrier concept. In the barrier of highly compacted clay, water is intercalated and confined between the clay layers. The narrow pores are responsible that under natural hydraulic gradients, molecular diffusion through water is the dominant transport mechanism for released radionuclides. The properties of water at the water-clay interface differ from that of bulk water. Therefore, a good and deep understanding of the water structure and dynamics in compacted clay systems is fundamental. This knowledge is the base for the progressing research about transport of pollutants through the compacted clays and argillaceous rock of radioactive waste barriers. This study focusses on four different types of pure clays, two of them charged, namely montmorillonite and illite (both in a Na and Ca form), and two uncharged, namely kaolinite and pyrophyllite. Their structural differences result in a significantly different behaviour in contact with water. In case of montmorillonite, water is located in between particles and in the interlayer space. In illite, water is found only in between particles, because the interlayer surfaces are tightly linked by potassium cations. The layers of kaolinite and pyrophyllite are uncharged and, consequently, water is located only in between particles. The clay powders were compacted to reach a high bulk dry density of about 1.9 g

  4. Measurement of diffuse photon-pairs density wave in a multiple-scattering medium.

    Science.gov (United States)

    Yu, Li-Ping; Chou, Chien; Wu, Jheng-Syong; Chan, Yi-Hsin

    2008-05-10

    As a continuation of the previously developed theory of a diffuse photon-pairs density wave (DPPDW) [Appl. Opt.44, 1416-1425 (2005)APOPAI0003-693510.1364/AO.44.001416], this research experimentally studies and verifies the DPPDW theory in a heterogeneous multiple-scattering medium. The DPPDW is generated by collecting the scattered linear polarized photon pairs (LPPPs) in the multiple-scattering medium. Theoretically, the common-path propagation of LPPPs not only provides common phase noise rejection mode but also performs coherence technique via heterodyne detection. In addition, the polarization gating and spatial coherence gating of LPPPs would suppress the severe scattered photon in the multiple-scattering medium. In the experiment, the amplitude and phase wavefronts of DPPDWs, which are distorted by a small object embedded in a homogeneous multiple-scattering medium, are measured in one dimension or two dimensions by scanning the source detector pair. The measured distortion of DPPDW wavefronts are detected precisely and are consistent with the theoretical calculation of DPPDW. It implies an improvement on the detection sensitivity of a small object compared with the conventional diffuse photon density wave (DPDW).

  5. Diffusion Brazing and Welding of the Accelerating Structure

    CERN Document Server

    Avagyan, Vardan

    2005-01-01

    This work presents technologies of copper accelarating structure diffusion joints. The formation conditions of copper diffusion joint with minimal residual plastic strain are determined experimentally.

  6. Influence of the scattering and absorption coefficients on homogeneous room simulations that use a diffusion equation model.

    Science.gov (United States)

    Navarro, Juan M; Escolano, José; Cobos, Maximo; López, José J

    2013-03-01

    The diffusion equation model was used for room acoustic simulations to predict the sound pressure level and the reverberation time. The technical literature states that the diffusion equation method accurately models the late portion of the room impulse response if the energy is sufficiently scattered. This work provides conclusions on the validity of the diffusion equation model for rooms with homogeneous dimensions in relation to the scattering coefficients of the boundaries. A systematic evaluation was conducted out to determine the ranges of the absorption and scattering coefficient values that result in low noticeable differences between the predictions from a geometrical acoustic model and those from the diffusion equation model.

  7. Information diffusion in structured online social networks

    Science.gov (United States)

    Li, Pei; Zhang, Yini; Qiao, Fengcai; Wang, Hui

    2015-05-01

    Nowadays, due to the word-of-mouth effect, online social networks have been considered to be efficient approaches to conduct viral marketing, which makes it of great importance to understand the diffusion dynamics in online social networks. However, most research on diffusion dynamics in epidemiology and existing social networks cannot be applied directly to characterize online social networks. In this paper, we propose models to characterize the information diffusion in structured online social networks with push-based forwarding mechanism. We introduce the term user influence to characterize the average number of times that messages are browsed which is incurred by a given type user generating a message, and study the diffusion threshold, above which the user influence of generating a message will approach infinity. We conduct simulations and provide the simulation results, which are consistent with the theoretical analysis results perfectly. These results are of use in understanding the diffusion dynamics in online social networks and also critical for advertisers in viral marketing who want to estimate the user influence before posting an advertisement.

  8. Binary Mass Diffusion Constants in Nematic Liquid Crystals Studied by Forced Rayleigh Scattering

    Science.gov (United States)

    Hara, Masahiko; Ichikawa, Seiji; Takezoe, Hideo; Fukuda, Atsuo

    1984-11-01

    The binary mass diffusion constants of methyl red in the nematogens MBBA and 5CB were measured by forced Rayleigh scattering (FRS). The diffusion constants in the direction parallel to the director orientation, D//, are always larger than those perpendicular to it, D\\bot; D///D\\bot=1.6 for both MBBA and 5CB at room temperature. The temperature dependence is of the Arrhenius type except near the phase transition temperature of 5CB, where the values tend to deviate downwards. A comparison between the results obtained by other methods and those obtained by the present method suggests that the binary mass diffusion constant of methyl red obtained by FRS is a good measure of the self-diffusion constant.

  9. Quasielastic Diffuse Neutron Scattering from Fluorites in the Fast Ion Phase

    DEFF Research Database (Denmark)

    Clausen, K.; Hayes, W.; Hutchings, M.T

    1981-01-01

    Quasielastic diffuse coherent neutron scattering arising from the dynamically disordered anions in CaF2 and PbF2 has been investigated as the temperature is increased into the fast ion phase. The characteristic variation with scattering vector Image of the integrated intensity, S(Image ), can...... be accounted for by a model in which the most probable instantaneous configuration of the defective anions is a cluster centered at the mid-point of nearest-neighbour regular anion sites. The observed S(Image ,ω) is Lorentzian in ω and the width has a marked increase with temperature....

  10. On model-free reconstruction of lattice dynamics from thermal diffuse scattering.

    Science.gov (United States)

    Bosak, Alexei; Chernyshov, Dmitry

    2008-09-01

    Expressions are derived for thermal diffuse scattering (TDS) using a formalism based on Born's S-matrix. It is shown that for monoatomic crystals the dynamical matrix containing the full information on lattice dynamics can be recovered from one-phonon TDS intensities. For any non-monoatomic crystal, part of the information is always lost in the kinematic approximation, but can in principle be recovered by measuring TDS in the dynamical scattering regime. In the long-wave limit the description here coincides with known results.

  11. Self-diffusion and microscopic dynamics in a gold-silicon liquid investigated with quasielastic neutron scattering

    Science.gov (United States)

    Evenson, Zach; Yang, Fan; Simeoni, Giovanna G.; Meyer, Andreas

    2016-03-01

    We use incoherent quasielastic neutron scattering to study the atomic dynamics of gold in a eutectic Au81Si19 melt. Despite the glass-forming nature of this system, the gold self-diffusivity displays an Arrhenius behavior with a low activation energy characteristic of simple liquids. At high temperatures, long-range transport of gold atoms is well described by hydrodynamic theory with a simple exponential decay of the self-correlation function. On cooling towards the melting temperature, structural relaxation crosses over to a highly stretched exponential behavior. This suggests the onset of a heterogeneous dynamics, even in the equilibrium melt, and is indicative of a very fragile liquid.

  12. Coupling of light into the fundamental diffusion mode of a scattering medium (Conference Presentation)

    Science.gov (United States)

    Ojambati, Oluwafemi S.; Yılmaz, Hasan; Lagendijk, Ad; Mosk, Allard P.; Vos, Willem L.

    2016-03-01

    Diffusion equation describes the energy density inside a scattering medium such as biological tissues and paint [1]. The solution of the diffusion equation is a sum over a complete set of eigensolutions that shows a characteristic linear decrease with depth in the medium. It is of particular interest if one could launch energy in the fundamental eigensolution, as this opens the opportunity to achieve a much greater internal energy density. For applications in optics, an enhanced energy density is vital for solid-state lighting, light harvesting in solar cells, low-threshold random lasers, and biomedical optics. Here we demonstrate the first ever selective coupling of optical energy into a diffusion eigensolution of a scattering medium of zinc oxide (ZnO) paint. To this end, we exploit wavefront shaping to selectively couple energy into the fundamental diffusion mode, employing fluorescence of nanoparticles randomly positioned inside the medium as a probe of the energy density. We observe an enhanced fluorescence in case of optimized incident wavefronts, and the enhancement increases with sample thickness, a typical mesoscopic control parameter. We interpret successfully our result by invoking the fundamental eigensolution of the diffusion equation, and we obtain excellent agreement with our observations, even in absence of adjustable parameters [2]. References [1] R. Pierrat, P. Ambichl, S. Gigan, A. Haber, R. Carminati, and R. Rotter, Proc. Natl. Acad. Sci. U.S.A. 111, 17765 (2014). [2] O. S. Ojambati, H. Yilmaz, A. Lagendijk, A. P. Mosk, and W. L. Vos, arXiv:1505.08103.

  13. Peculiarities of diffuse synchrotron radiation scattering in the SBN-60 single crystal at room temperature

    Directory of Open Access Journals (Sweden)

    Alexey А. Bosak

    2015-10-01

    Full Text Available The study of Sr0.6Ba0.4Nb2O6 (SBN-60 crystal structure at room temperature and at the zero applied electric field has been carried out by synchrotron radiation scattering. The wavelength of incident X-rays was λ = 0.7749 Å, the Δλ/λ value was ≈2 × 10−4. The two-dimensional distributions of diffuse and elastic intensities were obtained and analyzed in the several cross-sections: (H K 0, (H K 1/2, (H K 1, (H K 2, (H 0 L and (H H L. As a result, it was shown the coexistence of two different types of ordering with different correlation lengths and various correlation functions: the first type is described by squared Lorentzian and the second one – by Lorentzian. The first component is characterized by the correlation lengths ξ(1ab ≈ 10 nm and ξ(1c ≈ 15 nm, the second one is with ξ(2ab ≈ 3 nm and ξ(2c ≈ 25 nm.

  14. Electron pitch-angle diffusion: resonant scattering by waves vs. nonadiabatic effects

    Directory of Open Access Journals (Sweden)

    A. V. Artemyev

    2013-09-01

    Full Text Available In this paper we investigate the electron pitch-angle diffusion coefficients in the night-side inner magnetosphere around the geostationary orbit (L ~ 7 due to magnetic field deformation. We compare the effects of resonant wave–particle scattering by lower band chorus waves and the adiabaticity violation of electron motion due to the strong curvature of field lines in the vicinity of the equator. For a realistic magnetic field configuration, the nonadiabatic effects are more important than the wave–particle interactions for high energy (> 1 MeV electrons. For smaller energy, the scattering by waves is more effective than nonadiabatic one. Moreover, the role of nonadiabatic effects increases with particle energy. Therefore, to model electron scattering and transport in the night-side inner magnetosphere, it is important to take into account the peculiarities of high-energy electron dynamics.

  15. The measurement of self-diffusion coefficients in liquid metals with quasielastic neutron scattering

    Directory of Open Access Journals (Sweden)

    Meyer Andreas

    2015-01-01

    Full Text Available Quasielastic incoherent neutron scattering (QENS has proven to be a versatile tool to study self diffusion of atoms in liquid metals. Here it is shown, that coherent contributions to the signal in the small q limit appear as a flat and energy independent constant to the QENS signal in single-component liquid metals even for systems with a small incoherent scattering cross section, like aluminum. Container-less processing via electromagnetic or electrostatic levitation devices, especially designed for QENS, enables the in-situ measurement on liquid metallic droplets of sizes between 5 mm to 10 mm in diameter. This gives access to the study of chemically reactive, refractory metallic melts and extends the accessible temperature range to undercoolings of several hundred Kelvin below the respective melting point. Compared to experiments using a thin-walled crucible giving hollow-cylindrical sample geometry it is shown that multiple scattering on levitated droplets is negligible for the analysis of the self-diffusion coefficient. QENS results of liquid germanium and 73germanium isotope mixtures, titanium, nickel, copper and aluminum are reviewed. The self-diffusion coefficients of these systems are best described by an Arrhenius-type temperature dependence around their respective melting points.

  16. Broadband diffuse terahertz wave scattering by flexible metasurface with randomized phase distribution.

    Science.gov (United States)

    Zhang, Yin; Liang, Lanju; Yang, Jing; Feng, Yijun; Zhu, Bo; Zhao, Junming; Jiang, Tian; Jin, Biaobing; Liu, Weiwei

    2016-05-26

    Suppressing specular electromagnetic wave reflection or backward radar cross section is important and of broad interests in practical electromagnetic engineering. Here, we present a scheme to achieve broadband backward scattering reduction through diffuse terahertz wave reflection by a flexible metasurface. The diffuse scattering of terahertz wave is caused by the randomized reflection phase distribution on the metasurface, which consists of meta-particles of differently sized metallic patches arranged on top of a grounded polyimide substrate simply through a certain computer generated pseudorandom sequence. Both numerical simulations and experimental results demonstrate the ultralow specular reflection over a broad frequency band and wide angle of incidence due to the re-distribution of the incident energy into various directions. The diffuse scattering property is also polarization insensitive and can be well preserved when the flexible metasurface is conformably wrapped on a curved reflective object. The proposed design opens up a new route for specular reflection suppression, and may be applicable in stealth and other technology in the terahertz spectrum.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-01-31

    Terephthalic acid (TPA, C8H6O4) is an industrially important chemical, one that shows polymorphism and disorder. Three polymorphs are known, two triclinic [(I) and (II)] and one monoclinic (III). Of the two triclinic polymorphs, (II) has been shown to be more stable in ambient conditions. This paper presents models of the local order of polymorphs (I) and (II), and compares the single-crystal diffuse scattering (SCDS) computed from the models with that observed from real crystals. TPA shows relatively weak and less-structured diffuse scattering than some other polymorphic materials, but it does appear that the SCDS is less well modelled by a purely harmonic model in polymorph (I) than in polymorph (II), according to the idea that the diffuse scattering is sensitive to anharmonicity that presages a structural phase transition. The work here verifies that displacive correlations are strong along the molecular chains and weak laterally, and that it is not necessary to allow the —COOH groups to librate to successfully model the diffuse scattering – keeping in mind that the data are from X-ray diffraction and not directly sensitive to H atoms.

  18. Quantification of Doppler broadening in path length resolved diffusive light scattering using phase modulated low-coherence interferometry

    Science.gov (United States)

    Varghese, Babu; Rajan, Vinayakrishnan; van Leeuwen, Ton G.; Steenbergen, Wiendelt

    2007-02-01

    We describe path length resolved Doppler measurements of the multiply scattered light in turbid media using phase modulated low coherence Mach-Zehnder interferometer, with separate fibers for illumination and detection. A Doppler broadened phase modulation interference peak observed at the modulation frequency shows an increase in the average Doppler shift with optical path length. The path length dependent Doppler broadening of scattered light due to the detection of multiple scattered light is measured from the Lorentzian linewidth and the results are compared with the predictions of Diffusive Wave Spectroscopy. For particles with small scattering anisotropy, the diffusion approximation shows good agreement with our experimental results. For anisotropic scatterers, the experimental results show deviations from the Diffusion theory. The optical path lengths are determined experimentally from the Zero order moment of the phase modulation peak around the modulation frequency and the results are validated with the Monte Carlo technique.

  19. Interface characterization of B4C-based multilayers by X-ray grazing-incidence reflectivity and diffuse scattering.

    Science.gov (United States)

    Jiang, Hui; Wang, Zhanshan; Zhu, Jingtao

    2013-05-01

    B4C-based multilayers have important applications for soft to hard X-rays. In this paper, X-ray grazing-incidence reflectivity and diffuse scattering, combining various analysis methods, were used to characterize the structure of B4C-based multilayers including layer thickness, density, interfacial roughness, interdiffusion, correlation length, etc. Quantitative results for W/B4C, Mo/B4C and La/B4C multilayers were compared. W/B4C multilayers show the sharpest interfaces and most stable structures. The roughness replications of La/B4C and Mo/B4C multilayers are not strong, and oxidations and structure expansions are found in the aging process. This work provides guidance for future fabrication and characterization of B4C-based multilayers.

  20. Multiple Andreev reflections in diffusive SNS structures

    DEFF Research Database (Denmark)

    Taboryski, Rafael Jozef; Kutchinsky, Jonatan; Hansen, Jørn Bindslev

    1999-01-01

    We report new measurements on subgap energy structures originating from multiple Andreev reflections in mesoscopic SNS junctions. The junctions were fabricated in a planar geometry with high-transparency superconducting contacts of Al deposited on highly diffusive and surface delta-doped n...... dips is half the spacing of the n = 2 dips. The voltage bias positions of the subgap differential resistance minima coincide with the maxima in the. oscillation amplitude when a magnetic field is applied in an interferometer configuration, where one of the superconducting electrodes has been replaced...

  1. Neutron scattering applications in structural biology: now and the future

    Energy Technology Data Exchange (ETDEWEB)

    Trewhella, J. [Los Alamos National Lab., NM (United States)

    1996-05-01

    Neutrons have an important role to play in structural biology. Neutron crystallography, small-angle neutron scattering and inelastic neutron scattering techniques all contribute unique information on biomolecular structures. In particular, solution scattering techniques give critical information on the conformations and dispositions of the components of complex assemblies under a wide variety of relevant conditions. The power of these methods is demonstrated here by studies of protein/DNA complexes, and Ca{sup 2+}-binding proteins complexed with their regulatory targets. In addition, we demonstrate the utility of a new structural approach using neutron resonance scattering. The impact of biological neutron scattering to date has been constrained principally by the available fluxes at neutron sources and the true potential of these approaches will only be realized with the development of new more powerful neutron sources. (author)

  2. Neutron scattering for the analysis of biological structures. Brookhaven symposia in biology. Number 27

    Energy Technology Data Exchange (ETDEWEB)

    Schoenborn, B P [ed.

    1976-01-01

    Sessions were included on neutron scattering and biological structure analysis, protein crystallography, neutron scattering from oriented systems, solution scattering, preparation of deuterated specimens, inelastic scattering, data analysis, experimental techniques, and instrumentation. Separate entries were made for the individual papers.

  3. Diffusing-wave spectroscopy in a standard dynamic light scattering setup

    Science.gov (United States)

    Fahimi, Zahra; Aangenendt, Frank J.; Voudouris, Panayiotis; Mattsson, Johan; Wyss, Hans M.

    2017-12-01

    Diffusing-wave spectroscopy (DWS) extends dynamic light scattering measurements to samples with strong multiple scattering. DWS treats the transport of photons through turbid samples as a diffusion process, thereby making it possible to extract the dynamics of scatterers from measured correlation functions. The analysis of DWS data requires knowledge of the path length distribution of photons traveling through the sample. While for flat sample cells this path length distribution can be readily calculated and expressed in analytical form; no such expression is available for cylindrical sample cells. DWS measurements have therefore typically relied on dedicated setups that use flat sample cells. Here we show how DWS measurements, in particular DWS-based microrheology measurements, can be performed in standard dynamic light scattering setups that use cylindrical sample cells. To do so we perform simple random-walk simulations that yield numerical predictions of the path length distribution as a function of both the transport mean free path and the detection angle. This information is used in experiments to extract the mean-square displacement of tracer particles in the material, as well as the corresponding frequency-dependent viscoelastic response. An important advantage of our approach is that by performing measurements at different detection angles, the average path length through the sample can be varied. For measurements performed on a single sample cell, this gives access to a wider range of length and time scales than obtained in a conventional DWS setup. Such angle-dependent measurements also offer an important consistency check, as for all detection angles the DWS analysis should yield the same tracer dynamics, even though the respective path length distributions are very different. We validate our approach by performing measurements both on aqueous suspensions of tracer particles and on solidlike gelatin samples, for which we find our DWS-based microrheology

  4. On the diffusion of innovations: A structural perspective

    DEFF Research Database (Denmark)

    Ostoic, Antonio Rivero

    2010-01-01

    Working paper describing structural models for the analysis of the diffusion of innovations and mechanisms for adoption. Additionally, some milestones in the study of innovation diffusion are given and a discussion of this matter....

  5. Moisture diffusivity in structure of random fractal fiber bed

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Fanglong, E-mail: zhufanglong_168@163.com [College of Textile, Zhongyuan University of Technology, Zhengzhou City (China); The Chinese People' s Armed Police Forces Academy, Langfan City (China); Zhou, Yu; Feng, Qianqian [College of Textile, Zhongyuan University of Technology, Zhengzhou City (China); Xia, Dehong [School of Mechanical Engineering, University of Science and Technology, Beijing (China)

    2013-11-08

    A theoretical expression related to effective moisture diffusivity to random fiber bed is derived by using fractal theory and considering both parallel and perpendicular channels to diffusion flow direction. In this Letter, macroporous structure of hydrophobic nonwoven material is investigated, and Knudsen diffusion and surface diffusion are neglected. The effective moisture diffusivity predicted by the present fractal model are compared with water vapor transfer rate (WVTR) experiment data and calculated values obtained from other theoretical models. This verifies the validity of the present fractal diffusivity of fibrous structural beds.

  6. Study of Dislocation Loops in Ion-Irradiated Tungsten Using X-Ray Diffuse Scattering

    Science.gov (United States)

    Sun, Peihao; Heimann, Philip; Wang, Yongqiang; Frost, Mungo; Schonwalder, Christopher; Levitan, Abraham; Mo, Mianzhen; Chen, Zhijiang; Hastings, Jerome; Glenzer, Siegfried

    2017-10-01

    As the material of choice for the divertor wall in tokamak fusion reactors, tungsten is exposed to high levels of radiation. As a result, a large amount of defects form inside the crystal, leading to significant changes in its thermal-mechanical properties. Therefore, it is important to understand the types and sizes of radiation-induces defects. X-ray diffuse scattering around Bragg peaks has been developed as a technique to solve this problem. By applying this technique to ion-irradiated tungsten, we have obtained quantitative data on the size-distribution of dislocation loops under different radiation levels. This work is supported by DOE FES under FWP 100182.

  7. Report on a round-robin study of diffuse X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Ohshima, K.; Harada, J.; Morinaga, M.; Georgopoulos, P.; Cohen, J.B.

    1986-06-01

    The diffuse scattering in a volume in reciprocal space from NbCsub(0.72) was measured on an absolute scale at two synchrotron sources (in the US and in Japan) and with a high-intensity rotating-anode source (in Japan). The shape and actual absolute intensities agreed to a few percent. Special problems associated with such measurements at a synchrotron are noted, especially with an insertion device. The high resolution possible at such sources reduces the need for an evacuated sample chamber. Detailed measurements can be completed in 1-2 d, making such studies much more accessible than is possible with sealed-tube X-ray generation.

  8. Diffusion Tensor Imaging, Structural Connectivity, and Schizophrenia

    Directory of Open Access Journals (Sweden)

    Thomas J. Whitford

    2011-01-01

    Full Text Available A fundamental tenet of the “disconnectivity” theories of schizophrenia is that the disorder is ultimately caused by abnormal communication between spatially disparate brain structures. Given that the white matter fasciculi represent the primary infrastructure for long distance communication in the brain, abnormalities in these fiber bundles have been implicated in the etiology of schizophrenia. Diffusion tensor imaging (DTI is a magnetic resonance imaging (MRI technique that enables the visualization of white matter macrostructure in vivo, and which has provided unprecedented insight into the existence and nature of white matter abnormalities in schizophrenia. The paper begins with an overview of DTI and more commonly used diffusion metrics and moves on to a brief review of the schizophrenia literature. The functional implications of white matter abnormalities are considered, particularly with respect to myelin's role in modulating the transmission velocity of neural discharges. The paper concludes with a speculative hypothesis about the relationship between gray and white matter abnormalities associated with schizophrenia.

  9. Multiple scattering of electromagnetic waves in disordered magnetic media localization parameter, energy transport velocity and diffusion constant

    CERN Document Server

    Pinheiro, F A; Martínez, A S

    2001-01-01

    We review some of our recent results concerning the single and multiple electromagnetic scattering by magnetic spherical particles. For a single electromagnetic scattering we show that the magnetic contribution alters, when compared to nonmagnetic scattering, the behavior of the cross sections and mean cosine of the scattering angle (cos omega). For ferromagnetic particles, resonances may occur even in the small-particle limit when the particle radius is much smaller than the wavelength. The resonances increase the cross sections while (cos omega) is diminished , and even may become negative. Several quantities such the Ioffe-Regel parameter for localization are calculated for the multiple scattering regime. We show that magnetic scattering favors the observation of localization of electromagnetic waves in three dimensions. Further, this is also verified for dynamical experiments, where we show that the diffusion constant can be very small. Since the magnetic permeability of the scatterers can vary significan...

  10. Galactic Latitude Dependence of Near-infrared Diffuse Galactic Light: Thermal Emission or Scattered Light?

    Science.gov (United States)

    Sano, K.; Matsuura, S.

    2017-11-01

    Near-infrared (IR) diffuse Galactic light (DGL) consists of scattered light and thermal emission from interstellar dust grains illuminated by the interstellar radiation field (ISRF). At 1.25 and 2.2 μ {{m}}, a recent observational study shows that intensity ratios of the DGL to interstellar 100 μ {{m}} dust emission steeply decrease toward high Galactic latitudes (b). In this paper, we investigate the origin(s) of the b-dependence on the basis of models of thermal emission and scattered light. Combining a thermal emission model with the regional variation of the polycyclic aromatic hydrocarbon abundance observed with Planck, we show that the contribution of the near-IR thermal emission component to the observed DGL is lower than ∼ 20 % . We also examine the b-dependence of the scattered light, assuming a plane–parallel Galaxy with smooth distributions of the ISRF and dust density along the vertical direction, and assuming a scattering phase function according to a recently developed model of interstellar dust. We normalize the scattered light intensity to the 100 μ {{m}} intensity corrected for deviation from the cosecant-b law according to the Planck observation. As the result, the present model that considers the b-dependence of dust and the ISRF properties can account for the observed b-dependence of the near-IR DGL. However, the uncertainty in the correction for the 100 μ {{m}} emission is large, and other normalizing quantities may be appropriate for a more robust analysis of the DGL.

  11. Large Thermal Diffusivity Database Reveals a New Mechanism for Heat Transport in Geomaterials: Diffusion of IR-Polaritons Substantially Augments Phonon-Phonon Scattering

    Science.gov (United States)

    Branlund, J. M.; Hofmeister, A.; Dong, J.

    2013-12-01

    Over the course of several years, we have measured heat transport to high temperatures for a large number (ca. 200) of minerals, rocks, glasses and melts using laser flash analysis which eliminates systematic errors (contact losses and boundary-to-boundary radiative transfer gains) that limit utility of conventional, contact techniques. The database is large enough to elucidate patterns. For most samples and particularly for our >60 non-metallic, large single-crystals, >30 glasses and >12 polycrystals, we show that thermal diffusivity is consistently represented by D(T) =F/T ^G + HT, permitting confident extrapolation from conditions in the laboratory to those in the mantle. The two distinct temperature terms describing D(T) suggest that two microscopic mechanisms of conduction exist in the electrical insulators explored. We propose that phonon scattering (the F/T^G term) sums with radiative diffusion of infrared (IR) light in the form of polaritons (the HT term). Speeds near that of sound over unit cell scale lengths exist for the polariton mechanism due to phonon-photon coupling, thereby distinguishing this proposed mechanism from high frequency diffusive radiative transfer which travels near the speed of light, and only is important following transient heating. For 63 single-crystals and many glasses unaffected by disordering or reconstructive phase transitions, G ranges from 0.3 to 2, depending on structure, and H is ~0.0001/ K, and so HT crosses F/T^G by ~1300 K (for most oxides), meaning that radiative diffusion of IR light is more important than phonon scattering inside the Earth. Importantly, the increase in heat transport due to elevated temperature is augmented by the increase due to high P inside planets, providing stability against convection. The popular view of a vigorously convecting interior needs revisiting, given known feedback in the temperature equation and the large size of the HT term. To understand the microscopic basis of HT term, we re

  12. Correlation Structure of Fractional Pearson Diffusions.

    Science.gov (United States)

    Leonenko, Nikolai N; Meerschaert, Mark M; Sikorskii, Alla

    2013-09-01

    The stochastic solution to a diffusion equations with polynomial coefficients is called a Pearson diffusion. If the first time derivative is replaced by a Caputo fractional derivative of order less than one, the stochastic solution is called a fractional Pearson diffusion. This paper develops an explicit formula for the covariance function of a fractional Pearson diffusion in steady state, in terms of Mittag-Leffler functions. That formula shows that fractional Pearson diffusions are long range dependent, with a correlation that falls off like a power law, whose exponent equals the order of the fractional derivative.

  13. Experimental measurement of time-dependent photon scatter for diffuse optical tomography.

    Science.gov (United States)

    Valim, Niksa; Brock, James; Niedre, Mark

    2010-01-01

    Time-resolved measurement of early arriving photons through diffusive media has been shown to effectively reduce the high degree of light scatter in biological tissue. However, the experimentally achievable reduction in photon scatter and the impact of time-gated detection on instrument noise performance is not well understood. We measure time-dependent photon density sensitivity functions (PDSFs) between a pulsed laser source and a photomultiplier tube operating in time-correlated single-photon-counting mode. Our data show that with our system, measurement of early arriving photons reduces the full width half maximum of PDSFs on average by about 40 to 60% versus quasicontinuous wave photons over a range of experimental conditions similar to those encountered in small animal tomography, corresponding to a 64 to 84% reduction in PDSF volume. Factoring in noise considerations, the optimal operating point of our instrument is determined to be about the 10% point on the rising edge of the transmitted intensity curve. Time-dependent Monte Carlo simulations and the time-resolved diffusion approximation are used to model photon propagation and are evaluated for agreement with experimental data.

  14. Topology and temperature dependence of the diffuse X-ray scattering in Na0.5Bi0.5TiO3ferroelectric single crystals.

    Science.gov (United States)

    Gorfman, Semën; Keeble, Dean S; Bombardi, Alessandro; Thomas, Pam A

    2015-10-01

    The results of high-resolution measurements of the diffuse X-ray scattering produced by a perovskite-based Na 0.5 Bi 0.5 TiO 3 ferroelectric single crystal between 40 and 620 K are reported. The study was designed as an attempt to resolve numerous controversies regarding the average structure of Na 0.5 Bi 0.5 TiO 3 , such as the mechanism of the phase transitions between the tetragonal, P 4 bm , and rhombohedral | monoclinic, R 3 c  |  Cc , space groups and the correlation between structural changes and macroscopic physical properties. The starting point was to search for any transformations of structural disorder in the temperature range of thermal depoling (420-480 K), where the average structure is known to remain unchanged. The intensity distribution around the {032} pseudocubic reflection was collected using a PILATUS 100K detector at the I16 beamline of the Diamond Light Source (UK). The data revealed previously unknown features of the diffuse scattering, including a system of dual asymmetric L-shaped diffuse scattering streaks. The topology, temperature dependence, and relationship between Bragg and diffuse intensities suggest the presence of complex microstructure in the low-temperature R 3 c  |  Cc phase. This microstructure may be formed by the persistence of the higher-temperature P 4 bm phase, built into a lower-temperature R 3 c  |  Cc matrix, accompanied by the related long-range strain fields. Finally, it is shown that a correlation between the temperature dependence of the X-ray scattering features and the temperature regime of thermal depoling is present.

  15. Sub-diffusive spatial frequency domain imaging: light scattering as a biomarker (Conference Presentation)

    Science.gov (United States)

    McClatchy, David M.; Rizzo, Elizabeth J.; Kanick, Stephen C.; Krishnaswamy, Venkataramanan; Elliott, Jonathan T.; Wells, Wendy A.; Paulsen, Keith D.; Pogue, Brian W.

    2017-02-01

    In spatial frequency domain imaging (SFDI), a spatially modulated intensity pattern is projected on to tissue, with the demodulated reflectance having more superficial sensitivity with increasing spatial modulation frequency. With sub-diffusive SFDI, very high (>0.5 mm-1) spatial modulation frequencies are projected yielding sensitivity to the directionality of light scattering with only few scattering events occurring and sub-millimeter penetration depth and spatial resolution. This technique has been validated in a series of phantom experiments, where fractal distributions of polystyrene spheres were imaged, and through a model based inversion, the size scale distribution versus overall density of these particles could be separated and visualized in spatially resolved maps. With sensitivity to localized light scattering over a wide field of view (11 cm x 14 cm), this technique is being translated for the application of intraoperative breast tumor margin assessment. To test sensitivity to changes in human breast tissue morphology, a cohort of over 30 freshly excised human breast tissue specimens, including adipose, fibroglandular, fibroadenoma, and invasive carcinoma, have been imaged and co-registered to whole specimen histology. Statistical analysis of the distributions of both textual raw reflectance parameters and model based optical properties for each type of tissue will be presented. Furthermore, classification algorithm development and analysis to predicted likelihood of cancer on the surface of the tissue will also be presented. Reflectance maps, optical property maps, and probability likelihood maps of spatially heterogeneous samples with multiple tissue types will also be shown.

  16. Measurements of residual strains in ceramic-elastomer composites with diffuse scattering of polarized neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Zajac, Wojciech [H. Niewodniczanski Institute of Nuclear Physics Polish Academy of Sciences, Radzikowskiego 152, 31-342 Krakow (Poland)], E-mail: Wojciech.Zajac@ifj.edu.pl; Boczkowska, Anna; Babski, Kamil; Kurzydlowski, Krzysztof J. [Warsaw University of Technology, Faculty of Materials Science and Engineering, Woloska 141, 02-507 Warsaw (Poland); Deen, Pascale P. [Institute Laue-Langevin, 6 rue Jules Horowitz, 38000 Grenoble (France)

    2008-12-15

    An experiment of diffuse scattering (also referred to as wide-angle neutron scattering) of polarized neutrons with polarization analysis was performed in order to detect residual strains in ceramic-elastomer composites of porous SiO{sub 2} and poly(urea-urethane) elastomers. Two ceramics, with pore sizes of 20 and 70 {mu}m, and two elastomers, with hard/soft segments molar ratios of H/S = 0.25 and 1.5, were selected for composite fabrication. The use of polarization analysis made it possible to detect and study very weak coherent scattering peaks from the elastomer synthesized inside SiO{sub 2} ceramics. Residual strains were detected and measured based on interatomic distances in the SiO{sub 2}+ H/S = 1.5 composite but not in the SiO{sub 2}+ H/S = 0.25. The reason is sought in soft domains being ordered in the H/S = 0.25 elastomer as opposed to the H/S = 1.5 one.

  17. Diffusivities of lysozyme in aqueous MgCl2 solutions from dynamic light-scattering data:  Effect of protein and salt concentrations

    Energy Technology Data Exchange (ETDEWEB)

    Grigsby, J. J. [Univ. of California, Berkeley, CA (United States); Blanch, H. W. [Univ. of California, Berkeley, CA (United States); Prausnitz, J. M. [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2000-03-25

    Dynamic light-scattering (DLS) studies are reported for lysozyme in aqueous magnesium chloride solutions at ionic strengths 0.6, 0.8, and 1.0 M for a temperature range 10–30 °C at pH 4.0. The diffusion coefficient of lysozyme was calculated as a function of protein concentration, salt concentration, temperature, and scattering angle. A Zimm-plot analysis provided the infinitely-dilute diffusion coefficient and the protein-concentration dependence of the diffusion coefficient. The hydrodynamic radius of a lysozyme monomer was obtained from the Stokes–Einstein equation; it is 18.6 ± 1.0 Å. The difference (1.4 Å) between the hydrodynamic and the crystal-structure radius is attributed to binding of Mg2+ ions to the protein surface and subsequent water structuring. The effect of protein concentration on the diffusion coefficient indicates that attractive interactions increase as the temperature falls at fixed salt concentration. However, when plotted against ionic strength, attractive interactions exhibit a maximum at ionic strength 0.84 M, probably because Mg2+–protein binding and water structuring become increasingly important as the concentration of magnesium ion rises. Finally, the present work suggests that inclusion of ion binding and water structuring at the protein surface in a pair-potential model is needed to achieve accurate predictions of protein-solution phase behavior.

  18. Acoustic Wave Dispersion and Scattering in Complex Marine Sediment Structures

    Science.gov (United States)

    2015-09-30

    Acoustic wave dispersion and scattering in complex marine sediment structures Charles W. Holland The Pennsylvania State University Applied...shear waves on dispersion in marine sediments . The first step will be development of the theory. WORK COMPLETED A brief summary of the work...propagation and scattering in the seabed. OBJECTIVES The objectives are to advance understanding of 1) the nature and mechanisms leading to sediment

  19. Questions arising for future surface diffusion studies using scattering techniques-the case of benzene diffusion on graphite basal plane surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Calvo-Almazan, Irene; Seydel, Tilo; Fouquet, Peter, E-mail: fouquet@ill.e [Institut Laue Langevin, BP 156, F-38042 Grenoble Cedex 9 (France)

    2010-08-04

    This paper gives a review of recent work on benzene diffusion on graphitic carbon surfaces using neutron and helium scattering spectroscopy as well as computational modelling. Recent spin-echo spectroscopy measurements have demonstrated that benzene/graphite displays almost perfect Brownian diffusion and that it can be used as a tool to study dynamic friction. Incoherent neutron backscattering measurements, on the other hand, reveal a jump diffusion behaviour, related to the molecular rotational modes of the benzene rings. Molecular dynamics (MD) simulations have delivered a very detailed picture of the adsorbate dynamics. We use this review to illustrate the open questions and possible future directions of this research field.

  20. Color effects from scattering on random surface structures in dielectrics

    DEFF Research Database (Denmark)

    Clausen, Jeppe; Christiansen, Alexander B; Garnæs, Jørgen

    2012-01-01

    We show that cheap large area color filters, based on surface scattering, can be fabricated in dielectric materials by replication of random structures in silicon. The specular transmittance of three different types of structures, corresponding to three different colors, have been characterized...

  1. Femtosecond X-Ray Scattering Study of Ultrafast Photoinduced Structural Dynamics in Solvated [Co(terpy)2]2+

    DEFF Research Database (Denmark)

    Biasin, Elisa; Brandt van Driel, Tim; Kjær, Kasper Skov

    2016-01-01

    We study the structural dynamics of photoexcited [Co(terpy)2]2+ in an aqueous solution with ultrafast x-ray diffuse scattering experiments conducted at the Linac Coherent Light Source. Through direct comparisons with density functional theory calculations, our analysis shows...

  2. Scattering studies of large scale structures at the ultra small angle neutron scattering instrument S18

    Science.gov (United States)

    Hainbuchner, M.; Baron, M.; Lo Celso, F.; Triolo, A.; Triolo, R.; Rauch, H.

    2002-02-01

    In recent years ultra small angle neutron scattering (USANS) has developed into a powerful standard method for large scale structure investigations. The upgraded instrument S18 at the ILL's 58 MW high flux reactor is operated routinely with increasing beam time demand. The performance of the instrument and its abilities will be discussed in this paper. A peak to background ratio better than 10 5 is reached using Agamalian's tail reduction method. A q-range from 2.10 -5 up to 5.10 -2 Å-1 can be covered. This allows a clear overlap with standard pinhole SANS instruments. The new way collecting scattering data logarithmically equidistant in q-space saves measuring time. This allows measuring times of about 1.5 h for strong scattering specimens with reasonable statistics. We will present an overview of recent experiments which have been performed in co-operation with different groups from the international user community. This work comprises of structure investigations of petroliferous sedimentary rocks showing fractal scattering behaviour and time resolved USANS studies of the dynamics of hydration of cement paste. Concerning soft matter structures, Pirelli rubber nanocomposites have been investigated. In addition, time resolved measurement on a D 2O solution of a PPO-PEO-PPO block copolymer (Reverse Pluronic 25R5) and the dynamics of phase separation of methyl-hydroxy-propyl cellulose (MHPC) have been studied using a sample temperature control system.

  3. Photon diffusion near the point-of-entry in anisotropically scattering turbid media

    Science.gov (United States)

    Vitkin, Edward; Turzhitsky, Vladimir; Qiu, Le; Guo, Lianyu; Itzkan, Irving; Hanlon, Eugene B.; Perelman, Lev T.

    2011-12-01

    From astronomy to cell biology, the manner in which light propagates in turbid media has been of central importance for many decades. However, light propagation near the point-of-entry in turbid media has never been analytically described, until now. Here we report a straightforward and accurate method that overcomes this longstanding, unsolved problem in radiative transport. Our theory properly treats anisotropic photon scattering events and takes the specific form of the phase function into account. As a result, our method correctly predicts the spatially dependent diffuse reflectance of light near the point-of-entry for any arbitrary phase function. We demonstrate that the theory is in excellent agreement with both experimental results and Monte Carlo simulations for several commonly used phase functions.

  4. Method of measuring blood oxygenation based on spectroscopy of diffusely scattered light

    Science.gov (United States)

    Kleshnin, M. S.; Orlova, A. G.; Kirillin, M. Yu.; Golubyatnikov, G. Yu.; Turchin, I. V.

    2017-05-01

    A new approach to the measurement of blood oxygenation is developed and implemented, based on an original two-step algorithm reconstructing the relative concentration of biological chromophores (haemoglobin, water, lipids) from the measured spectra of diffusely scattered light at different distances from the radiation source. The numerical experiments and approbation of the proposed approach using a biological phantom have shown the high accuracy of the reconstruction of optical properties of the object in question, as well as the possibility of correct calculation of the haemoglobin oxygenation in the presence of additive noises without calibration of the measuring device. The results of the experimental studies in animals agree with the previously published results obtained by other research groups and demonstrate the possibility of applying the developed method to the monitoring of blood oxygenation in tumour tissues.

  5. Scattering Amplitudes: The Most Perfect Microscopic Structures in the Universe

    Energy Technology Data Exchange (ETDEWEB)

    Dixon, Lance J.; /CERN /SLAC

    2011-11-04

    This article gives an overview of many of the recent developments in understanding the structure of relativistic scattering amplitudes in gauge theories ranging from QCD to N = 4 super-Yang-Mills theory, as well as (super)gravity. I also provide a pedagogical introduction to some of the basic tools used to organize and illuminate the color and kinematic structure of amplitudes. This article is an invited review introducing a special issue of Journal of Physics A devoted to 'Scattering Amplitudes in Gauge Theories'.

  6. Picosecond Raman spectroscopy with a fast intensified CCD camera for depth analysis of diffusely scattering media.

    Science.gov (United States)

    Ariese, Freek; Meuzelaar, Heleen; Kerssens, Marleen M; Buijs, Joost B; Gooijer, Cees

    2009-06-01

    A spectroscopic depth profiling approach is demonstrated for layers of non-transparent, diffusely scattering materials. The technique is based on the temporal discrimination between Raman photons emitted from the surface and Raman photons originating from a deeper layer. Excitation was carried out with a frequency-doubled, 3 ps Ti:sapphire laser system (398 nm; 76 MHz repetition rate). Time-resolved detection was carried out with an intensified CCD camera that can be gated with a 250 ps gate width. The performance of the system was assessed using 1 mm and 2 mm pathlength cuvettes with powdered PMMA and trans-stilbene (TS) crystals, respectively, or solid white polymer blocks: Arnite (polyethylene terephthalate), Delrin (polyoxymethylene), polythene (polyethylene) and Teflon (polytetrafluoroethylene). These samples were pressed together in different configurations and Raman photons were collected in backscatter mode in order to study the time difference in such media corresponding with several mm of extra net photon migration distance. We also studied the lateral contrast between two different second layers. The results demonstrate that by means of a picosecond laser system and the time discrimination of a gated intensified CCD camera, molecular spectroscopic information can be obtained through a turbid surface layer. In the case of the PMMA/TS two-layer system, time-resolved detection with a 400 ps delay improved the relative intensity of the Raman bands of the second layer with a factor of 124 in comparison with the spectrum recorded with a 100 ps delay (which is more selective for the first layer) and with a factor of 14 in comparison with a non-gated setup. Possible applications will be discussed, as well as advantages/disadvantages over other Raman techniques for diffusely scattering media.

  7. Low temperature Zn diffusion for GaSb solar cell structures fabrication

    Science.gov (United States)

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

    1995-01-01

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

  8. Singularity Structure of Maximally Supersymmetric Scattering Amplitudes

    DEFF Research Database (Denmark)

    Arkani-Hamed, Nima; Bourjaily, Jacob L.; Cachazo, Freddy

    2014-01-01

    We present evidence that loop amplitudes in maximally supersymmetric (N=4) Yang-Mills theory (SYM) beyond the planar limit share some of the remarkable structures of the planar theory. In particular, we show that through two loops, the four-particle amplitude in full N=4 SYM has only logarithmic ...

  9. Efficient scattering of electrons below few keV by Time Domain Structures around injection fronts

    Science.gov (United States)

    Vasko, I.; Agapitov, O. V.; Mozer, F.; Artemyev, A.; Krasnoselskikh, V.

    2016-12-01

    Van Allen Probes observations show an abundance of non-linear large-amplitude electrostatic spikes around injection fronts in the outer radiation belt. These spikes referred to as Time Domain Structures (TDS) include electron holes, double layers and more complicated solitary waves. The electron scattering driven by TDS may not be evaluated via the standard quasi-linear theory, since TDS are in principle non-linear plasma modes. In this paper we analyze the scattering of electrons by three-dimensional TDS (with non-negligible perpendicular electric field) around injection fronts. We derive the analytical formulas describing the local scattering by single TDS and show that the most efficiently scattered electrons are those in the first cyclotron resonance (electrons crossing TDS on a time scale comparable with their gyroperiod). The analytical formulas are verified via the test-particle simulation. We compute the bounce-averaged diffusion coefficients and demonstrate their dependence on the TDS spatial distribution, individual TDS parameters and L shell. We show that TDS are able to provide the pitch-angle scattering of electrons at rate 10-2-10-4 s-1 and, thus, can be responsible for driving loss of electrons out of injections fronts on a time scale from few minutes to few hours. TDS can be, thus, responsible for driving diffuse aurora precipitations conjugated to injection fronts. We show that the pitch-angle scattering rates driven by TDS are comparable with those due to chorus waves and exceed those due to electron cyclotron harmonics. For injections fronts with no significant wave activity in the frequency range corresponding to chorus waves, TDS can be even dominant mechanism for losses of below few keV electrons.

  10. Neutron and x-ray scattering study of phonon dispersion and diffuse scattering in (Na ,Bi ) Ti O3-x BaTi O3 single crystals near the morphotropic phase boundary

    Science.gov (United States)

    Luo, Chengtao; Bansal, Dipanshu; Li, Jiefang; Viehland, Dwight; Winn, Barry; Ren, Yang; Li, Xiaobing; Luo, Haosu; Delaire, Olivier

    2017-11-01

    Neutron and x-ray scattering measurements were performed on (N a1 /2B i1 /2 ) Ti O3-x at %BaTi O3 (NBT-x BT ) single crystals (x =4 , 5, 6.5, and 7.5) across the morphotropic phase boundary (MPB), as a function of both composition and temperature, and probing both structural and dynamical aspects. In addition to the known diffuse scattering pattern near the Γ points, our measurements revealed new, faint superlattice peaks, as well as an extensive diffuse scattering network, revealing a short-range ordering of polar nanoregions (PNR) with a static stacking morphology. In samples with compositions closest to the MPB, our inelastic neutron scattering investigations of the phonon dynamics showed two unusual features in the acoustic phonon branches, between the superlattice points, and between the superlattice points and Γ points, respectively. These critical elements are not present in the other compositions away from the MPB, which suggests that these features may be related to the tilt modes coupling behavior near the MPB.

  11. Optimizing and Understanding Network Structure for Diffusion

    OpenAIRE

    Zhang, Yao

    2017-01-01

    Given a population contact network and electronic medical records of patients, how to distribute vaccines to individuals to effectively control a flu epidemic? Similarly, given the Twitter following network and tweets, how to choose the best communities/groups to stop rumors from spreading? How to find the best accounts that bridge celebrities and ordinary users? These questions are related to diffusion (aka propagation) phenomena. Diffusion can be treated as a behavior of spreading contagion...

  12. Flame structure of methane inverse diffusion flame

    KAUST Repository

    Elbaz, Ayman M.

    2014-07-01

    This paper presents high speed images of OH-PLIF at 10. kHz simultaneously with 2D PIV (particle image velocimetry) measurements collected along the entire length of an inverse diffusion flame with circumferentially arranged methane fuel jets. For a fixed fuel flow rate, the central air jet Re was varied, leading to four air to fuel velocity ratios, namely Vr = 20.7, 29, 37.4 and 49.8. A double flame structure could be observed composed of a lower fuel entrainment region and an upper mixing and intense combustion region. The entrainment region was enveloped by an early OH layer, and then merged through a very thin OH neck to an annular OH layer located at the shear layer of the air jet. The two branches of this annular OH layer broaden as they moved downstream and eventfully merged together. Three types of events were observed common to all flames: breaks, closures and growing kernels. In upstream regions of the flames, the breaks were counterbalanced by flame closures. These breaks in OH signal were found to occur at locations where locally high velocity flows were impinging on the flame. As the Vr increased to 37.4, the OH layers became discontinuous over the downstream region of the flame, and these regions of low or no OH moved upstream. With further increases in Vr, these OH pockets act as flame kernels, growing as they moved downstream, and became the main mechanism for flame re-ignition. Along the flame length, the direction of the two dimensional principle compressive strain rate axis exhibited a preferred orientation of approximately 45° with respect to the flow direction. Moreover, the OH zones were associated with elongated regions of high vorticity. © 2013 Elsevier Inc.

  13. Decomposition of Diffuse Reflectance Images - Features for Monitoring Structure in Turbid Media

    DEFF Research Database (Denmark)

    Skytte, Jacob Lercke; Nielsen, Otto Højager Attermann; Andersen, Ulf

    2013-01-01

    we investigate different decomposition methods for extracting light scattering information from images of diffuse reflectance. Both well-established theoretical methods and data driven methods are considered and evaluated based on their robustness and sensitivity to changes in light scattering...

  14. Light scattering of PMMA latex particles in benzene: structural effects

    NARCIS (Netherlands)

    Nieuwenhuis, E.A.; Vrij, A.

    1979-01-01

    Intra- and interparticle structural effects were studied in polymethylmethacrylate (PMMA) latex dispersions in a nonpolar solvent with the technique of light scattering. The required transparency of the dispersions was attained by a close matching of the refractive index of PMMA and solvent, for

  15. Radial Diffusion Caused by Pitch Angle Scattering and Drift Shell Splitting - Simulation and Van Allen Probes Observations

    Science.gov (United States)

    Henderson, M. G.; Morley, S.; Cunningham, G.; Tu, W.; Reeves, G. D.; Fennell, J. F.; Claudepierre, S. G.; Blake, J. B.; Spence, H.; Baker, D. N.

    2013-12-01

    In realistic asymmetric magnetic fields, particles with different pitch angles starting on the same field line will trace out different drift shells. As a result of this drift shell splitting, pitch angle scattering automatically leads to additional radial diffusion. At a given position on a drift shell, the instantaneous DLL associated with this process is related to the gradient of L* with respect to equatorial pitch angle and the local value of the bounce averaged Daa diffusion coefficient. The final DLL associated with pitch angle scattering is then obtained by drift averaging. We show initial results of computed DLL coefficients and simulations using the DREAM diffusion code. The results are compared with Phase Space Densities measured with the recently launched Van Allen Probes.

  16. Study of Mass Diffusion and Relaxation Processes in Polymer Systems by Laser Induced Holographic Grating Relaxation and Dynamic Light Scattering.

    Science.gov (United States)

    Xia, Jiulin

    The diffusion of dye molecules in various polymer systems is studied using the Laser Induced Holographic Grating Relaxation technique. The diffusion coefficients of camphorquinone (CQ), thymoquinone (TQ), diacetyl (DA) and azo compounds in these polymers are studied as a function of temperature, properties of both the polymers and the dye molecules. The effects of additives are also investigated. Due to the chemical reversibility of the azo compounds, the kinetics of their chemical processes are also analyzed. The mutual diffusion coefficients in poly(methyl methacrylate) (PMMA) and poly(ethylene oxide) (PEO) compatible polymer blends are measured by dynamic light scattering as a function of the molecular weight of PEO while keeping the molecular weight of PMMA fixed. The polymer chain relaxation processes of poly(isobornyl methacrylate) (PIMA) are also studied by using dynamic light scattering.

  17. Stationary space-periodic structures with equal diffusion coefficients

    DEFF Research Database (Denmark)

    Andresen, Peter Ragnar; Bache, Morten; Mosekilde, Erik

    1999-01-01

    The paper investigates a chemical reaction-diffusion model in an open flow system. It is shown that such a system may, with particular boundary conditions, exhibit stationary space-periodic structures even in the case of equal diffusion coefficients. This is confirmed through numerical simulations....

  18. The structure and dynamics of thin poly(styrene)-b-(polybutadiene) copolymer films studied by x-ray scattering

    Science.gov (United States)

    Song, Sanghoon; Byun, Youngsuk; Kim, Jeeun; Eom, Daeyong; Cha, Wonsuk; Kim, Hyunjung

    2007-03-01

    We have investigated the structure and dynamics of thin diblock copolymer films of poly(styrene)-b-poly(butadiene) using x-ray reflectivity, diffuse scattering, grazing incidence small angle scattering (GISAXS), and x-ray photon correlation spectroscopy (XPCS), respectively. The measurements were performed at temperatures below and above the order-disorder transition temperature (ODT) of bulk with different film thicknesses. The x-ray reflectivity and GISAXS results show that the structural changes appear at lower temperature than ODT of bulk. These results will be discussed with the findings from the XPCS.

  19. NMR investigation of water diffusion in different biofilm structures.

    Science.gov (United States)

    Herrling, Maria P; Weisbrodt, Jessica; Kirkland, Catherine M; Williamson, Nathan H; Lackner, Susanne; Codd, Sarah L; Seymour, Joseph D; Guthausen, Gisela; Horn, Harald

    2017-12-01

    Mass transfer in biofilms is determined by diffusion. Different mostly invasive approaches have been used to measure diffusion coefficients in biofilms, however, data on heterogeneous biomass under realistic conditions is still missing. To non-invasively elucidate fluid-structure interactions in complex multispecies biofilms pulsed field gradient-nuclear magnetic resonance (PFG-NMR) was applied to measure the water diffusion in five different types of biomass aggregates: one type of sludge flocs, two types of biofilm, and two types of granules. Data analysis is an important issue when measuring heterogeneous systems and is shown to significantly influence the interpretation and understanding of water diffusion. With respect to numerical reproducibility and physico-chemical interpretation, different data processing methods were explored: (bi)-exponential data analysis and the Γ distribution model. Furthermore, the diffusion coefficient distribution in relation to relaxation was studied by D-T2 maps obtained by 2D inverse Laplace transform (2D ILT). The results show that the effective diffusion coefficients for all biofilm samples ranged from 0.36 to 0.96 relative to that of water. NMR diffusion was linked to biofilm structure (e.g., biomass density, organic and inorganic matter) as observed by magnetic resonance imaging and to traditional biofilm parameters: diffusion was most restricted in granules with compact structures, and fast diffusion was found in heterotrophic biofilms with fluffy structures. The effective diffusion coefficients in the biomass were found to be broadly distributed because of internal biomass heterogeneities, such as gas bubbles, precipitates, and locally changing biofilm densities. Thus, estimations based on biofilm bulk properties in multispecies systems can be overestimated and mean diffusion coefficients might not be sufficiently informative to describe mass transport in biofilms and the near bulk. © 2017 Wiley Periodicals, Inc.

  20. Alpha Inelastic Scattering and Cluster Structures in Light Nuclei

    CERN Document Server

    Kawabata, T

    2010-01-01

    The cluster structures of the excited states in 11B and 13C were discussed by measuring the isoscalar monopole strengths in the inelastic scattering at E = 388 MeV. It was found that the 1/2− 2 , 1/2− 3 , and 1/2− 4 states in 13C are candidates for the cluster states with a 3 + n molecular configuration.

  1. Structural controls and mechanisms of diffusion in natural silicate melts

    Science.gov (United States)

    Henderson, P.; Nolan, J.; Cunningham, G. C.; Lowry, R. K.

    1985-04-01

    The diffusion properties of Na, Cs, Ba, Fe and Eu ions have been determined experimentally for a pantellerite melt and of these ions plus Li, Mn and Co in pitchstone melt, using the radiotracer residual-activity method, and narrow platinum capillaries, over the temperature range 1,200 1,400° C. In addition, Eu diffusion in a basaltic and an andesitic melt was determined. Diffusion of all cations follows an Arrhenius relationship, activation energy values being high for diffusion in the pantellerite melt (e.g. Eu: 100 kcal mol-1) except in the case of Na (24.3 kcal mol-1). Activation energies of diffusion in the pitchstone melt are similar to values recorded earlier for andesitic and basaltic melts. The new data are used, along with previously published data for diffusion in other composition melts, to examine the compositional and structural controls on diffusion. The range of diffusivities shows a marked change with melt composition; over two orders of magnitude for a basaltic melt, and nearly four orders for a pantellerite melt (both at 1,300° C). Diffusivity of all cations (except Li and Na) correlates positively with the proportion of network modifying cations. In the case of Li and Na the correlation is negative but the diffusivity of these ions correlates positively with the proportion of Na or of Na + K ions in the bulk melt. Diffusion behaviour in the pantellerite melt departs from the relationships shown by the data for other melt compositions, which could be partly explained by trivalent ions (such as Fe) occupying network forming positions. The diffusivity of alkali metal ions is strongly dependent on ionic radius, but this is not the case with the divalent and trivalent ions; diffusivity of these ions remains relatively constant with change in radius but decreases with increase in ionic charge. A compensation diagram shows four distinct but parallel trends for the majority of the cations in four melt types but the data for Li and Na plot on a separate

  2. Structural characterization of amphiphilic homopolymer micelles using light scattering, SANS, and cryo-TEM.

    Science.gov (United States)

    Patterson, Joseph P; Kelley, Elizabeth G; Murphy, Ryan P; Moughton, Adam O; Robin, Mathew; Lu, Annhelen; Colombani, Olivier; Chassenieux, Christophe; Cheung, David; Sullivan, Millicent O; Epps, Thomas H; O'Reilly, Rachel K

    2013-08-13

    We report the aqueous solution self-assembly of a series of poly(N-isopropylacrylamide) (PNIPAM) polymers end-functionalized with a hydrophobic sulfur-carbon-sulfur (SCS) pincer ligand. Although the hydrophobic ligand accounted for structural details were investigated using light scattering, cryogenic transmission electron microscopy (cryo-TEM), and small angle neutron scattering (SANS). Radial density profiles extracted from the cryo-TEM micrographs suggested that the PNIPAM chains formed a diffuse corona with a radially decreasing corona density profile and provided valuable a priori information about the micelle structure for SANS data modeling. SANS analysis indicated a similar profile in which the corona surrounded a small hydrophobic core containing the pincer ligand. The similarity between the SANS and cryo-TEM results demonstrated that detailed information about the micelle density profile can be obtained directly from cryo-TEM and highlighted the complementary use of scattering and cryo-TEM in the structural characterization of solution-assemblies, such as the SCS pincer-functionalized homopolymers described here.

  3. The structure of alkali silicate gel by total scattering methods

    KAUST Repository

    Benmore, C.J.

    2010-06-01

    The structure of the alkali silicate gel (ASR) collected from the galleries of Furnas Dam in Brazil was determined by a pair distribution function (PDF) analysis of high energy X-ray diffraction data. Since this method is relatively new to concrete structure analysis a detailed introduction on the PDF method is given for glassy SiO2. The bulk amorphous structure of the dam material is confirmed as no Bragg peaks are observed in the scattered intensity. The real space results show that the local structure of the amorphous material is similar to kanemite (KHSi2O5:3H2O) however the long range layer structure of the crystal is broken up in the amorphous state, so that ordering only persists of the length scale of a few polyhedra. The silicate layer structure is a much more disordered than predicted by molecular dynamics models. The X-ray results are consistent with the molecular dynamics model of Kirkpatrick et al. (2005) [1] which predicts that most of the water resides in pores within the amorphous network rather than in layers. The total scattering data provide a rigorous basis against which other models may also be tested. © 2010.

  4. Contribution of double scattering to structural coloration in quasiordered nanostructures of bird feathers

    Energy Technology Data Exchange (ETDEWEB)

    Noh, Heeso; Liew, Seng Fatt; Saranathan, Vinodkumar; Prum, Richard O.; Mochrie, Simon G.J.; Dufresne, Eric R.; Cao, Hui (Yale)

    2010-07-28

    We measured the polarization- and angle-resolved optical scattering and reflection spectra of the quasiordered nanostructures in the bird feather barbs. In addition to the primary peak that originates from single scattering, we observed a secondary peak which exhibits depolarization and distinct angular dispersion. We explained the secondary peak in terms of double scattering, i.e., light is scattered successively twice by the structure. The two sequential single-scattering events are considered uncorrelated. Using the Fourier power spectra of the nanostructures obtained from the small-angle x-ray scattering experiment, we calculated the double scattering of light in various directions. The double-scattering spectrum is broader than the single-scattering spectrum, and it splits into two subpeaks at larger scattering angle. The good agreement between the simulation results and the experimental data confirms that double scattering of light makes a significant contribution to the structural color.

  5. Contribution of double scattering to structural coloration in quasiordered nanostructures of bird feathers.

    Science.gov (United States)

    Noh, Heeso; Liew, Seng Fatt; Saranathan, Vinodkumar; Prum, Richard O; Mochrie, Simon G J; Dufresne, Eric R; Cao, Hui

    2010-05-01

    We measured the polarization- and angle-resolved optical scattering and reflection spectra of the quasiordered nanostructures in the bird feather barbs. In addition to the primary peak that originates from single scattering, we observed a secondary peak which exhibits depolarization and distinct angular dispersion. We explained the secondary peak in terms of double scattering, i.e., light is scattered successively twice by the structure. The two sequential single-scattering events are considered uncorrelated. Using the Fourier power spectra of the nanostructures obtained from the small-angle x-ray scattering experiment, we calculated the double scattering of light in various directions. The double-scattering spectrum is broader than the single-scattering spectrum, and it splits into two subpeaks at larger scattering angle. The good agreement between the simulation results and the experimental data confirms that double scattering of light makes a significant contribution to the structural color.

  6. Diffusion phenomena in chemically stabilized multilayer structures

    NARCIS (Netherlands)

    Bruijn, S.; Bruijn, Saskia

    2011-01-01

    Multilayered thin film structures are widely applied as reflective coatings for optical elements in the extreme ultraviolet wavelength regime. In this thesis we investigate the structural and chemical changes that occur in Mo/Si based multilayers as a result of radiation induced thermal loads and

  7. Linking the diffusion of water in compacted clays at two different time scales: tracer through-diffusion and quasielastic neutron scattering.

    Science.gov (United States)

    González Sánchez, Fátima; Gimmi, Thomas; Jurányi, Fanni; Van Loon, Luc; Diamond, Larryn W

    2009-05-15

    Diffusion of water and solutes through compacted clays or claystones is important when assessing the barrier function of engineered or geological barriers in waste disposal. The shape and the connectivity of the pore network as well as electrostatic interactions between the diffusant and the charged clay surfaces or cations compensating negative surface charges affect the resistance of the porous medium to diffusion. Comparing diffusion measurements performed at different spatial or time scales allows identification and extraction of the different factors. We quantified the electrostatic constraint q for five different highly compacted clays (rhob = 1.85 +/- 0.05 g/cm3) using quasielastic neutron scattering (QENS) data. We then compared the QENS data with macroscopic diffusion data for the same clays and could derive the true geometric tortuosities G of the samples. Knowing the geometric and electrostatic factors for the different clays is essential when trying to predict diffusion coefficients for other conditions. We furthermore compared the activation energies Ea for diffusion at the two measurement scales. Because Ea is mostly influenced by the local, pore scale surroundings of the water, we expected the results to be similar at both scales. This was indeed the case for the nonswelling clays kaolinite and illite, which had Ea values lower than that of bulk water, but not for montmorillonite, which had values lower than that in bulk water at the microscopic scale, but larger at the macroscopic scale. The differences could be connected to the strongly temperature dependent mobility of the cations in the clays, which may act as local barriers in the narrow pores at low temperatures.

  8. Monitoring and scoring counter-diffusion protein crystallization experiments in capillaries by in situ dynamic light scattering.

    Directory of Open Access Journals (Sweden)

    Dominik Oberthuer

    Full Text Available In this paper, we demonstrate the feasibility of using in situ Dynamic Light Scattering (DLS to monitor counter-diffusion crystallization experiments in capillaries. Firstly, we have validated the quality of the DLS signal in thin capillaries, which is comparable to that obtained in standard quartz cuvettes. Then, we have carried out DLS measurements of a counter-diffusion crystallization experiment of glucose isomerase in capillaries of different diameters (0.1, 0.2 and 0.3 mm in order to follow the temporal evolution of protein supersaturation. Finally, we have compared DLS data with optical recordings of the progression of the crystallization front and with a simulation model of counter-diffusion in 1D.

  9. Nuclear structure of weakly bound radioactive nuclei through elastic and and inelastic scattering on proton. Impacts of the couplings induced by these exotic nuclei on direct reactions; Structure de noyaux radioactifs faiblement lies par diffusions elastiques et inelastiques sur proton. Effets des couplages induits par ces noyaux exotiques sur les reactions directes

    Energy Technology Data Exchange (ETDEWEB)

    Lapoux, V

    2005-09-15

    Information on the structure, spectroscopy and target interaction potentials of exotic nuclei can be inferred by interpreting measured data from direct reactions on proton such as elastic or inelastic scattering of proton (p,p') or one-nucleon transfer reaction (p,d). A series of experimental results has been obtained at the GANIL facilities on the setting composed of the MUST telescope array used for the detection of light charged-particles and of CATS beam detectors. This setting aims at measuring reactions on light proton or deuteron targets through reverse kinematics. Particularly, results on C{sup 10}, C{sup 11} and on direct reactions with the He{sup 8} beam of Spiral are presented. The first chapter is dedicated to the description of the most important theories concerning the nucleus. The experimental tools used to probe the nucleus are reported in the second chapter. The third and fourth chapters present the framework that has allowed us to analyse results from (p,p') and (p,d) reactions on weakly bound exotic nuclei. The last chapter is dedicated to the description of future experimental programs. (A.C.)

  10. On the resonance structure in nucleon-nucleon scattering

    Science.gov (United States)

    Kloet, W. M.; Tjon, J. A.

    1981-10-01

    A possible explanation of resonance-like structure in 1D 2 and 3F 3 proton-proton phase parameters at medium energy is suggested by the analysis of an exactly soluble coupled channel model. Looping in the Argand plot is mainly due to the nucleon-delta branch cut. This effect is already present in the NΔ box diagram, but is modified by higher order multiple scattering. Poles occur close to the NΔ branch point and originate from left-hand singularities in the unphysical sheet.

  11. Scattering and structures essentials and analogies in quantum physics

    CERN Document Server

    Povh, Bogdan

    2017-01-01

    Quantum physics may appear complicated, especially if one forgets the "big picture" and gets lost in the details. However, it can become clearer and less tangled if one applies a few fundamental concepts so that simplified approaches can emerge and estimated orders of magnitude become clear. Povh and Rosina’s Scattering and Structures presents the properties of quantum systems (elementary particles, nucleons, atoms, molecules, quantum gases, quantum liquids, stars, and early universe) with the help of elementary concepts and analogies between these seemingly different systems. In this new edition, sections on quantum gases and an up to date overview of elementary particles have been added.

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

    Science.gov (United States)

    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.

  13. Raman scattering characterization of space solar cell structures

    Science.gov (United States)

    Mintairov, Alexander M.; Khvostikov, V. P.; Paleeva, E. V.; Sorokina, S. V.

    1995-01-01

    A contactless method for the determination of the free-carrier density and the composition distribution across the thickness of 3-5 multi-layer solar cell structures, using the Raman scattering method, is developed. The method includes a step analysis of Raman spectra from optical phonons and phonon-plasmon modes of different layers. The method provides simultaneous measurements of the element composition and the thickness of the structure's layers together with the free-carrier density. The results of measurements of the free-carrier density composition distributions of the liquid phase epitaxy grown AlGaAs/GaAs and GaSb solar cell structures are presented and discussed.

  14. Neutron scattering studies on chromatin higher-order structure

    Energy Technology Data Exchange (ETDEWEB)

    Graziano, V.; Gerchman, S.E.; Schneider, D.K.; Ramakrishnan, V. [Brookhaven National Laboratory, Upton, NY (United States)

    1994-12-31

    We have been engaged in studies of the structure and condensation of chromatin into the 30nm filament using small-angle neutron scattering. We have also used deuterated histone H1 to determine its location in the chromatin 30nm filament. Our studies indicate that chromatin condenses with increasing ionic strength to a limiting structure that has a mass per unit length of 6-7 nucleosomes/11 nm. They also show that the linker histone H1/H5 is located in the interior of the chromatin filament, in a position compatible with its binding to the inner face of the nucleosome. Analysis of the mass per unit length as a function of H5 stoichiometry suggests that 5-7 contiguous nucleosomes need to have H5 bound before a stable higher order structure can exist.

  15. Acoustic and elastic multiple scattering and radiation from cylindrical structures

    Science.gov (United States)

    Amirkulova, Feruza Abdukadirovna

    Multiple scattering (MS) and radiation of waves by a system of scatterers is of great theoretical and practical importance and is required in a wide variety of physical contexts such as the implementation of "invisibility" cloaks, the effective parameter characterization, and the fabrication of dynamically tunable structures, etc. The dissertation develops fast, rapidly convergent iterative techniques to expedite the solution of MS problems. The formulation of MS problems reduces to a system of linear algebraic equations using Graf's theorem and separation of variables. The iterative techniques are developed using Neumann expansion and Block Toeplitz structure of the linear system; they are very general, and suitable for parallel computations and a large number of MS problems, i.e. acoustic, elastic, electromagnetic, etc., and used for the first time to solve MS problems. The theory is implemented in Matlab and FORTRAN, and the theoretical predictions are compared to computations obtained by COMSOL. To formulate the MS problem, the transition matrix is obtained by analyzing an acoustic and an elastic single scattering of incident waves by elastic isotropic and anisotropic solids. The mathematical model of wave scattering from multilayered cylindrical and spherical structures is developed by means of an exact solution of dynamic 3D elasticity theory. The recursive impedance matrix algorithm is derived for radially heterogeneous anisotropic solids. An explicit method for finding the impedance in piecewise uniform, transverse-isotropic material is proposed; the solution is compared to elasticity theory solutions involving Buchwald potentials. Furthermore, active exterior cloaking devices are modeled for acoustic and elastic media using multipole sources. A cloaking device can render an object invisible to some incident waves as seen by some external observer. The active cloak is generated by a discrete set of multipole sources that destructively interfere with an

  16. Parity violation in electron scattering; Violation de parite en diffusion d'electrons

    Energy Technology Data Exchange (ETDEWEB)

    Lhuillier, D

    2007-09-15

    The elaboration of the electroweak standard model from the discovery of parity violation to the weak neutral current is described in the first chapter. In the second chapter the author discusses the 2 experimental approaches of the parity violation experiments. In the first approach the weak neutral current can be assumed to be well known and can be used as a probe for the hadronic matter. The second approach consists in measuring the weak neutral current between 2 particles with known internal structure in order to test the predictions of the standard model in the low energy range. The chapters 3 and 4 are an illustration of the first approach through the HAPPEx series of experiments that took place in the Jefferson Laboratory from 1998 to 2005. The HAPPEx experiments aimed at measuring the contribution of strange quarks in the electromagnetic form factors of the nucleon through the violation of parity in the elastic scattering at forward angles. The last chapter is dedicated to the E158 experiment that was performed at the Slac (California) between 2000 and 2003. The weak neutral current was measured between 2 electrons and the high accuracy obtained allowed the physics beyond the standard model to be indirectly constraint up to a few TeV. (A.C.)

  17. Diffuse magnetic scattering from DHCP HoxCe1-x alloys

    DEFF Research Database (Denmark)

    Goff, J.P.; Sarthour, R.S.; McMorrow, D.F.

    2000-01-01

    The magnetic ordering in HoxCe1-x alloys has been investigated by neutron diffraction and X-ray magnetic resonant scattering (XMRS). The DHCP alloys display a rich phase diagram, and highly unusual, diffuse neutron magnetic scattering is observed over the composition range 0.35 less than or equal...

  18. Plasmonic nanopillar structures for surface-enhanced raman scattering applications

    DEFF Research Database (Denmark)

    Rindzevicius, Tomas; Schmidt, Michael Stenbæk; Wu, Kaiyu

    2016-01-01

    experimentally and theoretically. Simulations show that that a single Agcoated NP supports two LSPR modes, i.e. the particle mode and the Ag cap resonant cavity mode. The Ag cap resonant cavity mode contributes most to the enhancement of the Raman scattering signal. The electric field distribution calculations...... have been utilized in surfaceenhanced Raman spectroscopy (SERS) for biological and chemical sensing. We present Au nanopillar (NP) SERS structures that are excellent for molecular detection. The NP structures can be fabricated using a simple two-step process. We analyze NP optical properties...... show that the EM hot spots are located at the bottom of the Ag cap which is important observation for practical SERS sensing. Reproducible and repeatable SERS signal intensities can be obtained across large surface areas (>mm2). Application examples include detection of TAMRA-labeled vasopressin...

  19. Band structure mapping of bilayer graphene via quasiparticle scattering

    Directory of Open Access Journals (Sweden)

    Matthew Yankowitz

    2014-09-01

    Full Text Available A perpendicular electric field breaks the layer symmetry of Bernal-stacked bilayer graphene, resulting in the opening of a band gap and a modification of the effective mass of the charge carriers. Using scanning tunneling microscopy and spectroscopy, we examine standing waves in the local density of states of bilayer graphene formed by scattering from a bilayer/trilayer boundary. The quasiparticle interference properties are controlled by the bilayer graphene band structure, allowing a direct local probe of the evolution of the band structure of bilayer graphene as a function of electric field. We extract the Slonczewski-Weiss-McClure model tight binding parameters as γ0 = 3.1 eV, γ1 = 0.39 eV, and γ4 = 0.22 eV.

  20. Simultaneous in vivo imaging of diffuse optical reflectance, optoacoustic pressure and ultrasonic scattering (Conference Presentation)

    Science.gov (United States)

    Subochev, Pavel V.; Orlova, Anna G.; Turchin, Ilya V.

    2017-03-01

    We will present reflection-mode bioimaging system providing complementary optical, photoacsoutic and acoustic measurements by acoustic detector after each laser pulse with 2kHz repetition rate. The photons absorbed within the biological tissue provide optoacoustic (OA) signals, the photons absorbed by the external electrode of a detector provide the measurable diffuse reflectance (DR) from the sample and the probing ultrasonic (US) pulse. To demonstrate the in vivo capabilities of the system we performed complementary DR/OA/US imaging of small laboratory animals and human palm with 3.5mm/50μm/35μm lateral resolution at up to 3 mm diagnostic depth. Functional OA and DR imaging demonstrated the levels of tissue vascularization and blood supply. Structural US imaging was essential for understanding the position of vessels and zones with different perfusion. Before BiOS-2017 we plan to accomplish more in vivo experiments validating the developed triple-modality system as diagnostic tool to detect vascularization as well as mechanisms of vascular changes when monitoring response to therapy.

  1. A Formalism for Scattering of Complex Composite Structures: I Applications to Branched Structures of Asymmetric Sub-Units

    DEFF Research Database (Denmark)

    Svaneborg, Carsten; Pedersen, Jan Skov

    2012-01-01

    -unit scattering. The structural scattering expressions allow composite structures to be used as sub-units within the formalism itself. This allows the scattering expressions for complex hierarchical structures to be derived with great ease. The formalism is generic in the sense that the scattering due...... to structural connectivity is completely decoupled from internal structure of the sub-units. This allows sub-units to be replaced by more complex structures. We illustrate the physical interpretation of the formalism diagrammatically. By applying a self-consistency requirement, we derive the pair distributions...

  2. A formalism for scattering of complex composite structures. I. Applications to branched structures of asymmetric sub-units

    DEFF Research Database (Denmark)

    Svaneborg, Carsten; Pedersen, Jan Skov

    2012-01-01

    -unit scattering. The structural scattering expressions allow composite structures to be used as sub-units within the formalism itself. This allows the scattering expressions for complex hierarchical structures to be derived with great ease. The formalism is generic in the sense that the scattering due...... to structural connectivity is completely decoupled from internal structure of the sub-units. This allows sub-units to be replaced by more complex structures. We illustrate the physical interpretation of the formalism diagrammatically. By applying a self-consistency requirement, we derive the pair distributions...

  3. Diffuse scattering of radar on the surface of Venus - Origin and implications for the distribution of soils

    Science.gov (United States)

    Bindschadler, D. L.; Head, J. W.

    1988-01-01

    Pioneer Venus (PV) altimeter data have been analyzed in order to study tectonic, volcanic, and degradational processes on Venus. Analysis of a corrected reflectivity data set in combination with the PV data indicates that no more than 5 percent of the Venusian surface is covered by soils more than several to tens of cm in depth. It is suggested that most regions of apparent low reflectivity are due to the presence of small roughness elements on the surface. These regions are correlated with tessera, and models show that the diffuse scatterers in the tessera are rock fragments originating as part of tectonic deformation of the surface.

  4. Thermal diffuse scattering in time-of-flight neutron diffraction studies on SBN and TSCC single crytals

    Energy Technology Data Exchange (ETDEWEB)

    Prokert, F. [Forschungszentrum Rossendorf e.V. (FZR) (Germany). Inst. fuer Ionenstrahlphysik und Materialforschung; Savenko, B.N. [Joint Inst. for Nuclear Research, Dubna (Russian Federation). LNP; Balagurov, A.M. [Joint Inst. for Nuclear Research, Dubna (Russian Federation). LNP

    1995-03-01

    Thermal diffuse scattering (TDS) from single crystals of barium strontium niobate (SBN) and from a partly deuterated single crystal of tris(sarcosine) calcium chloride (TSCC) measured on the time-of-flight (TOF) Laue single-crystal diffractometer DN-2/IBR-2, Dubna, Russia, are presented. Various characteristic distributions of the TDS were measured and could be interpreted for the elastically (nearly) isotropic SBN crystals as well as for the anisotropic TSCC sample in accordance with the theory. The velocities of sound propagation are determined in both cases. Temperature-dependent changes of the TDS are qualitatively analysed for SBN crystals. (orig.).

  5. Intramolecular diffusive motion in alkane monolayers studied by high-resolution quasielastic neutron scattering and molecular dynamics simulations

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; Criswell, L.; Fuhrmann, D

    2004-01-01

    Molecular dynamics simulations of a tetracosane (n-C24H50) monolayer adsorbed on a graphite basal-plane surface show that there are diffusive motions associated with the creation and annihilation of gauche defects occurring on a time scale of similar to0.1-4 ns. We present evidence that these rel......Molecular dynamics simulations of a tetracosane (n-C24H50) monolayer adsorbed on a graphite basal-plane surface show that there are diffusive motions associated with the creation and annihilation of gauche defects occurring on a time scale of similar to0.1-4 ns. We present evidence...... that these relatively slow motions are observable by high-energy-resolution quasielastic neutron scattering (QNS) thus demonstrating QNS as a technique, complementary to nuclear magnetic resonance, for studying conformational dynamics on a nanosecond time scale in molecular monolayers....

  6. Augmenting the Structures in a Swirling Flame via Diffusive Injection

    Directory of Open Access Journals (Sweden)

    Jonathan Lewis

    2014-01-01

    Full Text Available Small scale experimentation using particle image velocimetry investigated the effect of the diffusive injection of methane, air, and carbon dioxide on the coherent structures in a swirling flame. The interaction between the high momentum flow region (HMFR and central recirculation zone (CRZ of the flame is a potential cause of combustion induced vortex breakdown (CIVB and occurs when the HMFR squeezes the CRZ, resulting in upstream propagation. The diffusive introduction of methane or carbon dioxide through a central injector increased the size and velocity of the CRZ relative to the HMFR whilst maintaining flame stability, reducing the likelihood of CIVB occurring. The diffusive injection of air had an opposing effect, reducing the size and velocity of the CRZ prior to eradicating it completely. This would also prevent combustion induced vortex breakdown CIVB occurring as a CRZ is fundamental to the process; however, without recirculation it would create an inherently unstable flame.

  7. Diffusion MRI at 25: exploring brain tissue structure and function.

    Science.gov (United States)

    Le Bihan, Denis; Johansen-Berg, Heidi

    2012-06-01

    Diffusion MRI (or dMRI) came into existence in the mid-1980s. During the last 25 years, diffusion MRI has been extraordinarily successful (with more than 300,000 entries on Google Scholar for diffusion MRI). Its main clinical domain of application has been neurological disorders, especially for the management of patients with acute stroke. It is also rapidly becoming a standard for white matter disorders, as diffusion tensor imaging (DTI) can reveal abnormalities in white matter fiber structure and provide outstanding maps of brain connectivity. The ability to visualize anatomical connections between different parts of the brain, non-invasively and on an individual basis, has emerged as a major breakthrough for neurosciences. The driving force of dMRI is to monitor microscopic, natural displacements of water molecules that occur in brain tissues as part of the physical diffusion process. Water molecules are thus used as a probe that can reveal microscopic details about tissue architecture, either normal or in a diseased state. Copyright © 2011 Elsevier Inc. All rights reserved.

  8. Structure-adaptive sparse denoising for diffusion-tensor MRI.

    Science.gov (United States)

    Bao, Lijun; Robini, Marc; Liu, Wanyu; Zhu, Yuemin

    2013-05-01

    Diffusion tensor magnetic resonance imaging (DT-MRI) is becoming a prospective imaging technique in clinical applications because of its potential for in vivo and non-invasive characterization of tissue organization. However, the acquisition of diffusion-weighted images (DWIs) is often corrupted by noise and artifacts, and the intensity of diffusion-weighted signals is weaker than that of classical magnetic resonance signals. In this paper, we propose a new denoising method for DT-MRI, called structure-adaptive sparse denoising (SASD), which exploits self-similarity in DWIs. We define a similarity measure based on the local mean and on a modified structure-similarity index to find sets of similar patches that are arranged into three-dimensional arrays, and we propose a simple and efficient structure-adaptive window pursuit method to achieve sparse representation of these arrays. The noise component of the resulting structure-adaptive arrays is attenuated by Wiener shrinkage in a transform domain defined by two-dimensional principal component decomposition and Haar transformation. Experiments on both synthetic and real cardiac DT-MRI data show that the proposed SASD algorithm outperforms state-of-the-art methods for denoising images with structural redundancy. Moreover, SASD achieves a good trade-off between image contrast and image smoothness, and our experiments on synthetic data demonstrate that it produces more accurate tensor fields from which biologically relevant metrics can then be computed. Copyright © 2013 Elsevier B.V. All rights reserved.

  9. Structure function for high-concentration biophantoms of polydisperse scatterer sizes.

    Science.gov (United States)

    Han, Aiguo; O'Brien, William

    2015-02-01

    Ultrasonic backscattering coefficient (BSC) has been used extensively to characterize tissue. In most cases, sparse scatterer concentrations are assumed. However, many types of tissues have dense scattering media. This study addresses the problem of dense media scattering by taking into account the correlation among scatterers using the structure functions. The effect of scatterer polydispersity on the structure functions is investigated. Structure function models based on polydisperse scatterers are theoretically developed and experimentally evaluated against the structure functions obtained from cell pellet biophantoms. The biophantoms were constructed by placing live cells of known concentration in coagulation media to form a clot. The BSCs of the biophantoms were estimated using single-element transducers over the frequency range from 11 to 105 MHz. Experimental structure functions were obtained by comparing the BSCs of two cell concentrations. The structure functions predicted by the models agreed with the experimental structure functions. Fitting the models yielded cell radius estimates that were consistent with direct light microscope measures. The results demonstrate the role of scatterer position correlation on dense media scattering, and the significance of scatterer polydispersity on structure functions. This work may lead to more accurate modeling of ultrasonic scattering in dense medium for improved tissue characterization.

  10. Dynamics and mechanism of structural diffusion in linear hydrogen bond.

    Science.gov (United States)

    Chaiwongwattana, Sermsiri; Phonyiem, Mayuree; Vchirawongkwin, Viwat; Prueksaaroon, Supakit; Sagarik, Kritsana

    2012-01-15

    Dynamics and mechanism of proton transfer in a protonated hydrogen bond (H-bond) chain were studied, using the CH(3)OH(2)(+)(CH(3)OH)(n) complexes, n = 1-4, as model systems. The present investigations used B3LYP/TZVP calculations and Born-Oppenheimer MD (BOMD) simulations at 350 K to obtain characteristic H-bond structures, energetic and IR spectra of the transferring protons in the gas phase and continuum liquid. The static and dynamic results were compared with the H(3)O(+)(H(2)O)(n) and CH(3)OH(2)(+)(H(2)O)(n) complexes, n = 1-4. It was found that the H-bond chains with n = 1 and 3 represent the most active intermediate states and the CH(3)OH(2)(+)(CH(3)OH)(n) complexes possess the lowest threshold frequency of proton transfer. The IR spectra obtained from BOMD simulations revealed that the thermal energy fluctuation and dynamics help promote proton transfer in the shared-proton structure with n = 3 by lowering the vibrational energy for the interconversion between the oscillatory shuttling and structural diffusion motions, leading to a higher population of the structural diffusion motion than in the shared-proton structure with n = 1. Additional explanation on the previously proposed mechanisms was introduced, with the emphases on the energetic of the transferring proton, the fluctuation of the number of the CH(3)OH molecules in the H-bond chain, and the quasi-dynamic equilibriums between the shared-proton structure (n = 3) and the close-contact structures (n ≥ 4). The latter prohibits proton transfer reaction in the H-bond chain from being concerted, since the rate of the structural diffusion depends upon the lifetime of the shared-proton intermediate state. Copyright © 2011 Wiley Periodicals, Inc.

  11. Spectral Dependent Degradation of the Solar Diffuser on Suomi-NPP VIIRS Due to Surface Roughness-Induced Rayleigh Scattering

    Directory of Open Access Journals (Sweden)

    Xi Shao

    2016-03-01

    Full Text Available The Visible Infrared Imaging Radiometer Suite (VIIRS onboard Suomi National Polar Orbiting Partnership (SNPP uses a solar diffuser (SD as its radiometric calibrator for the reflective solar band calibration. The SD is made of Spectralon™ (one type of fluoropolymer and was chosen because of its controlled reflectance in the Visible/Near-Infrared/Shortwave-Infrared region and its near-Lambertian reflectance property. On-orbit changes in VIIRS SD reflectance as monitored by the Solar Diffuser Stability Monitor showed faster degradation of SD reflectance for 0.4 to 0.6 µm channels than the longer wavelength channels. Analysis of VIIRS SD reflectance data show that the spectral dependent degradation of SD reflectance in short wavelength can be explained with a SD Surface Roughness (length scale << wavelength based Rayleigh Scattering (SRRS model due to exposure to solar UV radiation and energetic particles. The characteristic length parameter of the SD surface roughness is derived from the long term reflectance data of the VIIRS SD and it changes at approximately the tens of nanometers level over the operational period of VIIRS. This estimated roughness length scale is consistent with the experimental result from radiation exposure of a fluoropolymer sample and validates the applicability of the Rayleigh scattering-based model. The model is also applicable to explaining the spectral dependent degradation of the SDs on other satellites. This novel approach allows us to better understand the physical processes of the SD degradation, and is complementary to previous mathematics based models.

  12. From Scatter-Free to Diffusive Propagation of Energetic Particles: Exact Solution of Fokker-Planck equation

    Science.gov (United States)

    Malkov, Mikhail

    2017-10-01

    Propagation of energetic particles through magnetized turbulent media is reconsidered using the exact solution of Fokker-Planck equation [PRD, 2017]. It shows that the cosmic ray (CR) transport in weakly scattering media is nondiffusive. Poor understanding of the CR transport obscures their sources and acceleration mechanisms. We present a simplified approximate version of the exact solution of Fokker-Planck equation that accurately describes a ballistic, diffusive and transdiffusive (intermediate between the first two) propagation regimes. The transdiffusive phase lasts up to 5-7 collision times and starts at about one-half of collision time. Since the scattering rate is energy-dependent, a large part of the energy spectrum propagates neither diffusively nor ballistically. Its treatment should rely on the exact solution. Significant parts of the spectra affected by the heliospheric modulation, for example, falls into this category. We present a new approximation of an exact Fokker-Planck propagator. It conveniently unifies the ballistic and Gaussian propagators, currently used (separately) in major Solar modulation and other CR transport models. The maximum deviation of the new propagator from the exact solution is less than a few percents. Supported by the NASA Astrophysics Theory Program, Grant No. NNX14AH36G.

  13. Translational diffusion of water and its dependence on temperature in charged and uncharged clays: A neutron scattering study.

    Science.gov (United States)

    González Sánchez, Fátima; Jurányi, Fanni; Gimmi, Thomas; Van Loon, Luc; Unruh, Tobias; Diamond, Larryn W

    2008-11-07

    The water diffusion in four different, highly compacted clays [montmorillonite in the Na- and Ca-forms, illite in the Na- and Ca-forms, kaolinite, and pyrophyllite (bulk dry density rho(b)=1.85+/-0.05 gcm(3))] was studied at the atomic level by means of quasielastic neutron scattering. The experiments were performed on two time-of-flight spectrometers and at three different energy resolutions [FOCUS at SINQ, PSI (3.65 and 5.75 A), and TOFTOF at FRM II (10 A)] for reliable data analysis and at temperatures between 27 and 95 degrees C. Two different jump diffusion models were used to describe the translational motion. Both models describe the data equally well and give the following ranking of diffusion coefficients: Na-montmorilloniteclays had slightly larger diffusion coefficients than that of bulk water due to their hydrophobic surfaces. The time between jumps, tau(t), follows the sequence: Ca-montmorillonite>or=Na-montmorillonite>Ca-illite>Na-illite>or=kaolinite>pyrophyllite>or=water, in both jump diffusion models. For clays with a permanent layer charge (montmorillonite and illite) a reduction in the water content by a factor of 2 resulted in a decrease in the self-diffusion coefficients and an increase in the time between jumps as compared to the full saturation. The uncharged clay kaolinite exhibited no change in the water mobility between the two hydration states. The rotational relaxation time of water was affected by the charged clay surfaces, especially in the case of montmorillonite; the uncharged clays presented a waterlike behavior. The activation energies for translational diffusion were calculated from the Arrhenius law, which adequately describes the systems in the studied temperature range. Na- and Ca-montmorillonite (approximately 11-12 kJmol), Na-illite (approximately 13 kJmol), kaolinite and pyrophyllite (approximately 14 kJmol), and Ca-illite (approximately 15 kJmol) all had lower activation energies than bulk water (approximately 17 kJmol in

  14. Wavelength dependence of light diffusion in strongly scattering macroporous gallium phosphide

    NARCIS (Netherlands)

    Peeters, W.H.; Vellekoop, Ivo Micha; Mosk, Allard; Lagendijk, Aart

    2008-01-01

    We present time-resolved measurements of light transport through strongly scattering macroporous gallium phosphide at various vacuum wavelengths between 705 nm and 855 nm. Within this range the transport mean free path is strongly wavelength dependent, whereas the observed energy velocity is shown

  15. Effects of absorption on coherence domain path length resolved dynamic light scattering in the diffuse regime

    NARCIS (Netherlands)

    Petoukhova, Anna; Steenbergen, Wiendelt; van Leeuwen, Ton; de Mul, F.F.M.

    2002-01-01

    A low coherence Mach–Zehnder interferometer is developed for path length resolved dynamic light scattering in highly turbid media. The path length distribution of multiply scatteredphotons in Intralipid is changed by the addition of absorbing dyes. Path length distributions obtained for various

  16. Prediction of Chloride Diffusion in Concrete Structure Using Meshless Methods

    OpenAIRE

    Yao, Ling; Li, Xiaolu; Zhang, Ling; Zhang, Lingling

    2016-01-01

    Degradation of RC structures due to chloride penetration followed by reinforcement corrosion is a serious problem in civil engineering. The numerical simulation methods at present mainly involve finite element methods (FEM), which are based on mesh generation. In this study, element-free Galerkin (EFG) and meshless weighted least squares (MWLS) methods are used to solve the problem of simulation of chloride diffusion in concrete. The range of a scaling parameter is presented using numerical e...

  17. Development of black scattering coatings for space application (etude de traitements noirs diffusants pour application spatiale)

    Science.gov (United States)

    Mestreau-Garreau, Agnes; Pezant, Christian; Cousin, Bernard; Etcheto, Pierre; Otrio, Georges

    2017-11-01

    In the context of Research and Technology (R&T), studies have been performed on the coatings of vane edge in the 0.4 to 1 μm spectral range. The main purposes of the study were to improve the diffusing black coatings available on the market and to look for other diffusing black coatings. At the same time, we have also improved the machining technologies of vane edges. The characterisation (thermal tests, radiometric measurements, adhesion tests) of the most promising technologies has been carried out. The results have pointed out the stainless steel vanes with the edge obtained by polishing or by advanced grinding.

  18. Self-diffusion in molecular liquids: Medium-chain n-alkanes and coenzyme Q10 studied by quasielastic neutron scattering

    Science.gov (United States)

    Smuda, Christoph; Busch, Sebastian; Gemmecker, Gerd; Unruh, Tobias

    2008-07-01

    A systematic time-of-flight quasielastic neutron scattering (TOF-QENS) study on diffusion of n-alkanes in a melt is presented for the first time. As another example of a medium-chain molecule, coenzyme Q10 is investigated in the same way. The data were evaluated both in the frequency and in the time domain. TOF-QENS data can be satisfactorily described by different models, and it turned out that the determined diffusion coefficients are largely independent of the applied model. The derived diffusion coefficients are compared with values measured by pulsed-field gradient nuclear magnetic resonance (PFG-NMR). With increasing chain length, an increasing difference between the TOF-QENS diffusion coefficient and the PFG-NMR diffusion coefficient is observed. This discrepancy in the diffusion coefficients is most likely due to a change of the diffusion mechanism on a nanometer length scale for molecules of medium-chain length.

  19. Propagation of diffused light modulated by a focused ultrasound in scattering media

    Science.gov (United States)

    Zhu, Lili; Li, Hui; Cai, Jiali; Weng, Cuncheng; Xie, Shusen

    2006-09-01

    Ultrasound-modulated optical tomography is a promising and noninvasive method for biomedical imaging. The advantage of this technology is its combination of optical contrast and ultrasonic resolution. In order to reconstruct the tissue imaging effectively and reliably, the propagation of the light modulated by ultrasound in the tissue should be understood extensively. In our opinion, there are three light transport processes in tissue as follows: Firstly, the incident light goes from the surface to the focused region. If the distance, tagged as Iis long enough (Z>>mfp, mean free path). the light transport obeys diffuse theory. Secondly, the diffuse light can be modulated in the focused region at Z due to the light-sound interaction. Finally, the modulation light from the Z can be regarded as a spot light source which emits the ballistic or snake photons to reach the surface and so as to be collected by a detector outside of tissue in the third process. the propagation of the diffused light modulated by ultrasound play an important role in particularly because it reflects some information about the optical and ultrasonic properties of tissue. Based on the Monte Carlo simulation, the relations to the modulation light intensity and its modulation depth contributed by the tissue thickness, optical properties, etc. are figured out and supported by an equivalent experiment and at an extended condition also agree with the diffuse theory.

  20. Determination of Kubelka-Munk scattering and absorption coefficients by diffuse illumination

    NARCIS (Netherlands)

    Molenaar, R; ten Bosch, JJ; Zijp, [No Value

    1999-01-01

    The Kubelka-Munk theory, although it provides an equation that relates the reflection of a sample under diffuse illumination to certain of its properties, does not take boundary reflectance into account. Boundary reflection is always present because there is always a difference between the

  1. The Focusing of Light Scattered from Diffuse Reflectors Using Phase Modulation

    Science.gov (United States)

    2012-03-22

    my sincerest gratitude for the guidance and encouragement afforded to me by my faculty advisor, Dr. Michael Marciniak . Thanks must go to Mr. Greg Smith...52 B . Reflective Inverse Diffusion MATLAB Subfunctions . . . . . . . . . . . . . . . . . . . . . 56 C. Surface Profiles of...world application of (a) dual photography and ( b ) indirect photography. 2.3 Indirect Photography Indirect photography is an extension of dual

  2. Electronic structure of the palladium hydride studied by compton scattering

    CERN Document Server

    Mizusaki, S; Yamaguchi, M; Hiraoka, N; Itou, M; Sakurai, Y

    2003-01-01

    The hydrogen-induced changes in the electronic structure of Pd have been investigated by Compton scattering experiments associated with theoretical calculations. Compton profiles (CPs) of single crystal of Pd and beta phase hydride PdH sub x (x=0.62-0.74) have been measured along the [100], [110] and [111] directions with a momentum resolution of 0.14-0.17 atomic units using 115 keV x-rays. The theoretical Compton profiles have been calculated from the wavefunctions obtained utilizing the full potential linearized augmented plane wave method within the local density approximation for Pd and stoichiometric PdH. The experimental and the theoretical results agreed well with respect to the difference in the CPs between PdH sub x and Pd, and the anisotropy in the CPs of Pd or PdH sub x. This study provides lines of evidence that upon hydride formation the lowest valance band of Pd is largely modified due to hybridization with H 1s-orbitals and the Fermi energy is raised into the sp-band. (author)

  3. Advances in total scattering analysis

    Energy Technology Data Exchange (ETDEWEB)

    Proffen, Thomas E [Los Alamos National Laboratory; Kim, Hyunjeong [Los Alamos National Laboratory

    2008-01-01

    In recent years the analysis of the total scattering pattern has become an invaluable tool to study disordered crystalline and nanocrystalline materials. Traditional crystallographic structure determination is based on Bragg intensities and yields the long range average atomic structure. By including diffuse scattering into the analysis, the local and medium range atomic structure can be unravelled. Here we give an overview of recent experimental advances, using X-rays as well as neutron scattering as well as current trends in modelling of total scattering data.

  4. NEUTRON SCATTERING INSTRUMENTATION FOR MEASUREMENT OF MELT STRUCTURE

    Energy Technology Data Exchange (ETDEWEB)

    Richard Weber, Christopher Benmore

    2004-10-21

    This Phase II research project was focused on constructing and testing a facility for the measurement of the structure of hot solid and liquid materials under extreme conditions using neutron diffraction. The work resulted in measurements at temperatures of 3300 K, the highest ever performed in a neutron beam. Work was performed jointly by Containerless Research, Inc. and Argonne National Laboratory with significant interactions with engineers and scientists at the under construction-SNS facility in Oak Ridge, TN. The work comprised four main activities: Design and construct an advanced instrument for structural studies of liquids and hot solids using neutron scattering. Develop and test a software package for instrument control, data acquisition and analysis. Test and demonstrate the instrument in experiments at the GLAD beamline at IPNS. Evaluate requirements for performing experiments at the SNS. Develop interest from the potential user base and identify potential support for Phase III. The objectives of the research were met. A second-generation instrument was developed and constructed. The instrument design drew on the results of a formal design review which was held at Argonne National Laboratory during the Phase I research [1]. The review included discussion with potential instrument users, SNS scientists and engineers and various scientists involved with materials, glass, ceramics, and geological sciences. The instrument combines aerodynamic levitation with pulsed neutron diffraction in a controlled atmosphere. An important innovation was the use of pure vanadium levitation nozzles that effectively eliminated contributions from the sample environment to the measured data. The instrument employed a 250 Watt CO2 laser that was configured for Class I laser operation. The use of Class I laser configuration meant that operators could work with the equipment with minimal restrictions and so concentrate on the research activities. Instrument control and data

  5. HUG and SQUEEZE: using CRYSTALS to incorporate resonant scattering in the SQUEEZE structure-factor contributions to determine absolute structure.

    Science.gov (United States)

    Cooper, Richard I; Flack, Howard D; Watkin, David J

    2017-11-01

    The resonant-scattering contributions to single-crystal X-ray diffraction data enable the absolute structure of crystalline materials to be determined. Crystal structures can be determined even if they contain considerably disordered regions because a correction is available via a discrete Fourier transform of the residual electron density to approximate the X-ray scattering from the disordered region. However, the corrected model cannot normally account for resonant scattering from atoms in the disordered region. Straightforward determination of absolute structure from crystals where the strongly resonantly scattering atoms are not resolved has therefore not been possible. Using an approximate resonant-scattering correction to the X-ray scattering from the disordered regions, we have developed and tested a procedure (HUG) to recover the absolute structure using conventional Flack x refinement or other post-refinement determination methods. Results show that in favourable cases the HUG method works well and the absolute structure can be correctly determined. It offers no useful improvement in cases where the original correction for the disordered region scattering density is problematic, for example, when a large fraction of the scattering density in the crystal is disordered, or when voids are not occupied equally by the disordered species. Crucially, however, if the approach does not work for a given structure, the statistics for the absolute structure measures are not improved, meaning it is unlikely to lead to misassignment of absolute structure.

  6. Mapping human whole-brain structural networks with diffusion MRI.

    Directory of Open Access Journals (Sweden)

    Patric Hagmann

    Full Text Available Understanding the large-scale structural network formed by neurons is a major challenge in system neuroscience. A detailed connectivity map covering the entire brain would therefore be of great value. Based on diffusion MRI, we propose an efficient methodology to generate large, comprehensive and individual white matter connectional datasets of the living or dead, human or animal brain. This non-invasive tool enables us to study the basic and potentially complex network properties of the entire brain. For two human subjects we find that their individual brain networks have an exponential node degree distribution and that their global organization is in the form of a small world.

  7. Richardson's pair diffusion and the stagnation point structure of turbulence.

    Science.gov (United States)

    Dávila, J; Vassilicos, J C

    2003-10-03

    DNS and laboratory experiments show that the spatial distribution of straining stagnation points in homogeneous isotropic 3D turbulence has a fractal structure with dimension D(s)=2. In kinematic simulations the exponent gamma in Richardson's law and the fractal dimension D(s) are related by gamma=6/D(s). The Richardson constant is found to be an increasing function of the number density of straining stagnation points in agreement with pair diffusion occurring in bursts when pairs meet such points in the flow.

  8. MUNU: study of the neutrino-electron scattering; MUNU: etude de la diffusion neutrino-electron

    Energy Technology Data Exchange (ETDEWEB)

    Cerna, C

    2000-11-01

    MUNU is an experiment dedicated to electron-neutrino scattering studies and in particular to neutrino magnetic moment search at a nuclear power plant in Bugey (France). MUNU is based on a gaseous time projection chamber (TPC) immersed in 8 tons of liquid scintillator acting as an active anti-Compton shielding. A preliminary analysis of the first results of this experiment corresponding to about 24 days of data collecting draws a line on the value of the neutrino magnetic moment: {mu}{sub {nu}}-bar{sub {sub e}} {<=} 1.97 10{sup -10} {mu}{sub B} (68% confidence level). All along this work, it is shown that the combined use of a TPC and of a light detection system is valuable for discriminating particles and for discarding signals from background noise.

  9. Atomic-resolution structural information from scattering experiments on macromolecules in solution.

    Science.gov (United States)

    Köfinger, Jürgen; Hummer, Gerhard

    2013-05-01

    The pair-distance distribution function (PDDF) contains all structural information probed in an elastic scattering experiment of macromolecular solutions. However, in small-angle x-ray scattering (SAXS) or small-angle neutron scattering (SANS) experiments only their Fourier transform is measured over a restricted range of scattering angles. We therefore developed a mathematically simple and computationally efficient method to calculate the PDDFs as well as accurate scattering intensities from molecular dynamics simulations. The calculated solution scattering intensities are in excellent agreement with SAXS and wide-angle x-ray scattering (WAXS) experiments for a series of proteins. The corresponding PDDFs are remarkably rich in features reporting on the detailed protein structure. Using an inverse Fourier transform method, most of these features can be recovered if scattering intensities are measured up to a momentum transfer of q≈2-3Å(-1). Our results establish that high-precision solution scattering experiments utilizing x-ray free-electron lasers and third generation synchrotron sources can resolve subnanometer structural detail, well beyond size, shape, and fold.

  10. [Scattering properties of core-shell structure of mist wrapped dust particles].

    Science.gov (United States)

    Feng, Shi-qi; Song, Wei; Wang, Yan; Miao, Xin-hui; Xu, Li-jun; Liu, Yu; Li, Cheng; Li Wen-long; Wang, Yi-ran; Cai, Hong-xing

    2014-12-01

    The authors have investigated the optical properties of core-shell structure of mist wrapped dust particles based on the method of discrete dipole approximation (DDA). The influence on the thickness of the elliptical core-shell structure were calculated which the ratio of long axis and short axis is 2:1, and the change of scattering angle for scattering characteristics. The results shows that the thickness of outer layer increase from 1.2 to 4.8 μm with the scattering and extinction coefficient of double core-shell layers particles decrease from 3.4 and 3.43 to 2.543 and 2.545, when the size of inner core isn't change. And scattering relative strength also increased obviously. The thickness of inner core increase from 0.6 to 2.4 μm with the of scattering and extinction coefficient change from 2.59 and 2.88 to 2.6 and 2.76 when thickness of outer remain constant. Effect of the thickness of visible outer layer on the scattering characteristics of double core-shell layers particles is greater, because of the interaction between scattering light and outer materials. The scattering relative intensity decrease with wavelength increased, while increased with the scale of core-shell structure increase. The results make a promotion on the study of the transportation characteristics of laser and scattering characteristics when the atmospheric aerosol and water mist interact together.

  11. Diffusion

    OpenAIRE

    Gierl, Heribert

    1995-01-01

    Diffusion. - In: Handwörterbuch des Marketing / hrsg. von Bruno Tietz ... - 2., völlig neu gestalt. Aufl. - Stuttgart : Schäffer-Poeschel, 1995. - S. 469-477. - (Enzyklopädie der Betriebswirtschaftslehre ; 4)

  12. Electric field effects on alignment of lamellar structures in diblock copolymer thin films studied by neutron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Xiuli

    2006-12-07

    We investigated the lamellar orientation in thin films of a diblock copolymer P(S-b-MMA), under competing effects of surface interactions and an electric field applied perpendicular to the substrate. The surface effects tend to align the lamellae parallel to the substrate while the electric field tends to align the lamellae perpendicular to the substrate. Using neutron reflectivity, neutron diffuse scattering, and neutron small-angle scattering, we achieved a quantitative analysis of the internal structure of the films. Film thickness was found to play a non-trivial role in determining the structure of the films. A complete alignment by the surface effects was observed in the thinner films by annealing. The parallel orientation remains stable even if an electric field as strong as 40 V/{mu}m is applied. In the thicker films, a mixed orientation with boundary layers parallel and the central part partially perpendicular to the substrate was observed after annealing. The mixed orientation becomes unstable under a small compressive stress, and will be converted into a completely parallel orientation. The parallel orientation induced by the compressive stress remains stable as long as the electric field is weaker than several ten V/{mu}m. Only a field of about 40 V/{mu}m is able to stabilize the above mentioned mixed orientation. A fully perpendicular orientation was never observed in our experiments. Diffuse scattering shows a mosaic structure in the absence of an electric field, whose mosaicity will be increased by the torque exerted by an electric field. The lateral correlation length of the lamellar domains is estimated as 1-2 {mu}m. Limited by the small q{sub x}-range we have used, a clear statement on the existence of the electric-field-induced structural undulations predicted by the Onuki's theory cannot be made from our experiments. (orig.)

  13. SPS driven lithium differential diffusion in NASICON-like structures

    Energy Technology Data Exchange (ETDEWEB)

    Perez-Estebanez, M.; Peiteado, M.; Caballero, A. C.; Palomares, F. J.; Nygren, M.; Isasi Marin, J.

    2016-05-01

    Samples of nominal composition Li{sub 1}.3Fe{sub 0}.3Ti{sub 1}.7(PO{sub 4}){sub 3} with a NASICON-type crystal structure, can be sintered up to 95% of the theoretical density at only 600 degree centigrade using spark plasma sintering, SPS. The final pellets however show different colouration in their upper and lower faces, being the upper face white and the lower one pink. The analysis of both surfaces by XPS shows a higher concentration of lithium on the white upper face, as a consequence of the polar diffusion of ions from the positive to the negative rams during SPS. On the other hand the study by XRD and SEM shows the formation of an extra phase in the upper face with nominal composition LiOPO{sub 4}. A change in the cell parameters of the original NASICON structure is also observed, confirming the diffusion of lithium ions. (Author)

  14. Diffusion Tensor Tractography Reveals Disrupted Structural Connectivity during Brain Aging

    Science.gov (United States)

    Lin, Lan; Tian, Miao; Wang, Qi; Wu, Shuicai

    2017-10-01

    Brain aging is one of the most crucial biological processes that entail many physical, biological, chemical, and psychological changes, and also a major risk factor for most common neurodegenerative diseases. To improve the quality of life for the elderly, it is important to understand how the brain is changed during the normal aging process. We compared diffusion tensor imaging (DTI)-based brain networks in a cohort of 75 healthy old subjects by using graph theory metrics to describe the anatomical networks and connectivity patterns, and network-based statistic (NBS) analysis was used to identify pairs of regions with altered structural connectivity. The NBS analysis revealed a significant network comprising nine distinct fiber bundles linking 10 different brain regions showed altered white matter structures in young-old group compare with middle-aged group (p < .05, family-wise error-corrected). Our results might guide future studies and help to gain a better understanding of brain aging.

  15. Optical theorem for electromagnetic field scattering by dielectric structures and energy emission from the evanescent wave.

    Science.gov (United States)

    Gulyaev, Yu V; Barabanenkov, Yu N; Barabanenkov, M Yu; Nikitov, S A

    2005-08-01

    We present an optical theorem for evanescent (near field) electromagnetic wave scattering by a dielectric structure. The derivation is based on the formalism of angular spectrum wave amplitudes and block scattering matrix. The optical theorem shows that an energy flux is emitted in the direction of the evanescent wave decay upon scattering. The energy emission effect from an evanescent wave is illustrated in two examples of evanescent wave scattering, first, by the electrical dipole and, second, one-dimensional grating with line-like rulings. Within the latter example, we show that an emitted energy flux upon evanescent wave scattering can travel through a dielectric structure even if the structure has a forbidden gap in the transmission spectrum of incident propagating waves.

  16. X-ray diffuse scattering associated with ferroelectric microregions in KTa{sub 1-x}Nb{sub x}O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Abe, H. [Department of Materials Science and Engineering, National Defense Academy, Yokosuka (Japan); Department of Physics, University of Houston, Houston, TX (United States); Harada, K.; Matsuo, R.J.; Uwe, H.; Ohshima, K. [Institute of Materials Science, University of Tsukuba, Tsukuba (Japan)

    2001-04-09

    X-ray diffuse scattering for single crystals of KTa{sub 1-x}Nb{sub x}O{sub 3} (x=0, 0.007 and 0.011) has been measured. For the sample of x=0.011, peculiar x-ray diffuse scattering is observed above the phonon-frozen-in temperature (30 K). By an analysis of the diffuse scattering intensities, the average radius of the ferroelectric microregions is found to grow up to around 4 nm with decreasing temperature from 100 K down to 30 K. Anisotropic distributions of the diffuse scattering indicate off-centred shift of Nb and Ta ions to the <111>-direction. Moreover, lattice constants for x=0.011 below 30 K exhibit negative expansion, which is found neither in pure KTaO{sub 3} nor in KTa{sub 1-x}Nb{sub x}O{sub 3} (x=0.007) at low temperatures. These results are successfully explained by introducing the effective classical potential (ECP) method for the anharmonic oscillators. The quantum contribution to mean square displacement of Nb and Ta ions from an average position is also calculated by the ECP method. (author)

  17. Anatomically diverse butterfly scales all produce structural colours by coherent scattering.

    Science.gov (United States)

    Prum, Richard O; Quinn, Tim; Torres, Rodolfo H

    2006-02-01

    The structural colours of butterflies and moths (Lepidoptera) have been attributed to a diversity of physical mechanisms, including multilayer interference, diffraction, Bragg scattering, Tyndall scattering and Rayleigh scattering. We used fibre optic spectrophotometry, transmission electron microscopy (TEM) and 2D Fourier analysis to investigate the physical mechanisms of structural colour production in twelve lepidopteran species from four families, representing all of the previously proposed anatomical and optical classes of butterfly nanostructure. The 2D Fourier analyses of TEMs of colour producing butterfly scales document that all species are appropriately nanostructured to produce visible colours by coherent scattering, i.e. differential interference and reinforcement of scattered, visible wavelengths. Previously hypothesized to produce a blue colour by incoherent, Tyndall scattering, the scales of Papilio zalmoxis are not appropriately nanostructured for incoherent scattering. Rather, available data indicate that the blue of P. zalmoxis is a fluorescent pigmentary colour. Despite their nanoscale anatomical diversity, all structurally coloured butterfly scales share a single fundamental physical color production mechanism - coherent scattering. Recognition of this commonality provides a new perspective on how the nanostructure and optical properties of structurally coloured butterfly scales evolved and diversified among and within lepidopteran clades.

  18. Time-resolved two-dimensional observation of the change in X-ray diffuse scattering from an alloy single crystal using an imaging plate on a synchrotron-radiation source

    Energy Technology Data Exchange (ETDEWEB)

    Iwasaki, H. (National Lab. for High Energy Physics, Tsukuba, Ibaraki (Japan). Photon Factory); Matsuo, Y. (Nara Women' s Univ. (Japan). Dept. of Physics); Ohshima, K. (Tsukuba Univ., Sakura, Ibaraki (Japan). Inst. of Applied Physics); Hashimoto, S. (Tohoku Univ., Sendai (Japan). Inst. for Materials Research)

    1990-12-01

    Through the high sensitivity of an area-detector Imaging Plate and the high brilliance of synchrotron radiation, changes in two-dimensional intensity distribution of X-ray diffuse scattering from an AgZn single crystal having the B2-type structure were observed successively during the structural transition from the {beta}' phase to the {zeta} phase. It has been shown in a series of patterns taken at a time interval of 600 s that a diffuse intensity sheet extending parallel to the (111) relplane gradually loses its intensity without a precursive modulation while weak diffraction spots from the nuclei of the {zeta} phase appear superimposed on the sheet with a definite positional realtion to the diffraction spots from the {beta}' phase. Promising aspects as well as the limits of the method applied to time-resolved measurements of structural changes are discussed. (orig.).

  19. Multi-scale structural analysis of gas diffusion layers

    Science.gov (United States)

    Göbel, Martin; Godehardt, Michael; Schladitz, Katja

    2017-07-01

    The macroscopic properties of materials are strongly determined by their micro structure. Here, transport properties of gas diffusion layers (GDL) for fuel cells are considered. In order to simulate flow and thermal properties, detailed micro structural information is essential. 3D images obtained by high-resolution computed tomography using synchrotron radiation and scanning electron microscopy (SEM) combined with focused ion beam (FIB) serial slicing were used. A recent method for reconstruction of porous structures from FIB-SEM images and sophisticated morphological image transformations were applied to segment the solid structural components. The essential algorithmic steps for segmenting the different components in the tomographic data-sets are described and discussed. In this paper, two types of GDL, based on a non-woven substrate layer and a paper substrate layer were considered, respectively. More than three components are separated within the synchrotron radiation computed tomography data. That is, fiber system, polytetrafluoroethylene (PTFE) binder/impregnation, micro porous layer (MPL), inclusions within the latter, and pore space are segmented. The usage of the thus derived 3D structure data in different simulation applications can be demonstrated. Simulations of macroscopic properties such as thermal conductivity, depending on the flooding state of the GDL are possible.

  20. Development of technology for brazing and diffusion welding of copper accelerating structures

    Directory of Open Access Journals (Sweden)

    Vardan Avagyan

    2006-08-01

    Full Text Available This work presents technologies of copper accelerating structure diffusion joints. The formation conditions of copper diffusion joint with the minimal residual plastic strain are determined experimentally.

  1. Resonant diffusion of normal alkanes in zeolites: Effect of the zeolite structure and alkane molecule vibrations

    CERN Document Server

    Tsekov, R

    2015-01-01

    Diffusion of normal alkanes in one-dimensional zeolites is theoretically studied on the basis of the stochastic equation formalism. The calculated diffusion coefficient accounts for the vibrations of the diffusing molecule and zeolite framework, molecule-zeolite interaction, and specific structure of the zeolite. It is shown that when the interaction potential is predominantly determined by the zeolite pore structure, the diffusion coefficient varies periodically with the number of carbon atoms of the alkane molecule, a phenomenon called resonant diffusion. A criterion for observable resonance is obtained from the balance between the interaction potentials of the molecule due to the atomic and pore structures of the zeolite. It shows that the diffusion is not resonant in zeolites without pore structure, such as ZSM-12. Moreover, even in zeolites with developed pore structure no resonant dependence of the diffusion constant can be detected if the pore structure energy barriers are not at least three times high...

  2. Far field scattering pattern of differently structured butterfly scales

    NARCIS (Netherlands)

    Giraldo, M. A.; Yoshioka, S.; Stavenga, D. G.

    The angular and spectral reflectance of single scales of five different butterfly species was measured and related to the scale anatomy. The scales of the pierids Pieris rapae and Delias nigrina scatter white light randomly, in close agreement with Lambert's cosine law, which can be well understood

  3. Measuring the dynamics of structural changes in biological macromolecules from light scattering data

    Science.gov (United States)

    Johnson, Adriel D.

    1993-01-01

    Examining techniques to study the dynamics of structural changes in various molecules has been an ongoing goal of the space program. Knowing how these phenomena occur in biological systems is fundamental to understanding what is necessary for life to remain functional in the space environment. A hierarchy of biological organization is functionally described when cells join together small organic molecules to form larger and more complex molecules. Characterizing the architecture of a particular macromolecule helps determine how that molecule works in the living cell and is basic to the diversity of life. Understanding this arrangement involves the correlation of the structure of macromolecules with their functions. A light scattering photometer was developed for detecting continuous measurement of the angular spectrum of light scattered by dynamically changing systems. The analysis of light scattered by biological macromolecules can be used to determine concentration, size, shape, molecular weight, and structural changes of cells, such as erythrocytes. Some light scattering photometers can collect and store 120 angular scattering spectra per minute, with an angular resolution of 0.2 deg which can be displayed with computer graphics. The light scattering photometer does the following: functions to produce and detect scattered light; determines scatter angles; and collects, stores, and analyzes data.

  4. Neutron scattering and diffraction instrument for structural study on biology in Japan

    Energy Technology Data Exchange (ETDEWEB)

    Niimura, Nobuo [Japan Atomic Energy Research Inst., Ibaraki-ken (Japan)

    1994-12-31

    Neutron scattering and diffraction instruments in Japan which can be used for structural studies in biology are briefly introduced. Main specifications and general layouts of the instruments are shown.

  5. First Measurement of the Low- x, Low- Q2 Structure Function F2 in Neutrino Scattering

    Science.gov (United States)

    Fleming, B. T.; Adams, T.; Alton, A.; Arroyo, C. G.; Avvakumov, S.; de Barbaro, L.; de Barbaro, P.; Bazarko, A. O.; Bernstein, R. H.; Bodek, A.; Bolton, T.; Brau, J.; Buchholz, D.; Budd, H.; Bugel, L.; Conrad, J.; Drucker, R. B.; Formaggio, J. A.; Frey, R.; Goldman, J.; Goncharov, M.; Harris, D. A.; Johnson, R. A.; Kim, J. H.; King, B. J.; Kinnel, T.; Koutsoliotas, S.; Lamm, M. J.; Marsh, W.; Mason, D.; McFarland, K. S.; McNulty, C.; Mishra, S. R.; Naples, D.; Nienaber, P.; Romosan, A.; Sakumoto, W. K.; Schellman, H.; Sciulli, F. J.; Seligman, W. G.; Shaevitz, M. H.; Smith, W. H.; Spentzouris, P.; Stern, E. G.; Suwonjandee, N.; Vaitaitis, A.; Vakili, M.; Yang, U. K.; Yu, J.; Zeller, G. P.; Zimmerman, E. D.

    2001-06-01

    A new structure function analysis of CCFR deep inelastic ν-N and ν¯-N scattering data is presented for previously unexplored kinematic regions down to Bjorken x = 0.0045 and Q2 = 0.3 GeV2. Comparisons to charged lepton scattering data from NMC and E665 experiments are made and the behavior of the structure function Fν2 is studied in the limit Q2-->0.

  6. Prediction of Chloride Diffusion in Concrete Structure Using Meshless Methods

    Directory of Open Access Journals (Sweden)

    Ling Yao

    2016-01-01

    Full Text Available Degradation of RC structures due to chloride penetration followed by reinforcement corrosion is a serious problem in civil engineering. The numerical simulation methods at present mainly involve finite element methods (FEM, which are based on mesh generation. In this study, element-free Galerkin (EFG and meshless weighted least squares (MWLS methods are used to solve the problem of simulation of chloride diffusion in concrete. The range of a scaling parameter is presented using numerical examples based on meshless methods. One- and two-dimensional numerical examples validated the effectiveness and accuracy of the two meshless methods by comparing results obtained by MWLS with results computed by EFG and FEM and results calculated by an analytical method. A good agreement is obtained among MWLS and EFG numerical simulations and the experimental data obtained from an existing marine concrete structure. These results indicate that MWLS and EFG are reliable meshless methods that can be used for the prediction of chloride ingress in concrete structures.

  7. Investigation of the core-halo structure of the neutron-rich nuclei {sup 6}He and {sup 8}He by intermediate-energy elastic proton scattering at high momentum transfer; Etude de la structure coeur-halo des noyaux riches en neutron {sup 6}He et {sup 8}He par la diffusion elastique de protons aux energies intermediaires etendue a la region du premier minimum de diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Aksouh, F

    2002-12-01

    The elastic proton scattering from the halo nuclei {sup 6}He and {sup 8}He was investigated in inverse kinematics at energies around 700 MeV/u with the aim to deduce the differential cross sections for the region of high momentum transfer, covering the first diffraction minimum. For this purpose, a liquid-hydrogen target was specially developed and used for the first time allowing to obtain low-background data as compared to commonly used targets made from C-H compounds. Previous data taken in the region of small momentum transfer were sensitive to the size and the peripheral shape of the total nuclear matter density distribution but not to the inner part. The present data allow for a more detailed insight in the structure of the alike core in {sup 6,8}He through a better determination of the matter density distributions. Several density distributions calculated from different microscopic models were used to derive elastic scattering cross sections which are compared with the obtained data. (author)

  8. Influence of Structural Heterogeneity on Diffusion of CH4 and CO2 in Silicon Carbide-Derived Nanoporous Carbon.

    Science.gov (United States)

    Farmahini, Amir H; Shahtalebi, Ali; Jobic, Hervé; Bhatia, Suresh K

    2014-06-05

    We investigate the influence of structural heterogeneity on the transport properties of simple gases in a Hybrid Reverse Monte Carlo (HRMC) constructed model of silicon carbide-derived carbon (SiC-DC). The energy landscape of the system is determined based on free energy analysis of the atomistic model. The overall energy barriers of the system for different gases are computed along with important properties, such as Henry constant and differential enthalpy of adsorption at infinite dilution, and indicate hydrophobicity of the SiC-DC structure and its affinity for CO2 and CH4 adsorption. We also study the effect of molecular geometry, pore structure and energy heterogeneity considering different hopping scenarios for diffusion of CO2 and CH4 through ultramicropores using the Nudged Elastic Band (NEB) method. It is shown that the energy barrier of a hopping molecule is very sensitive to the shape of the pore entry. We provide evidence for the influence of structural heterogeneity on self-diffusivity of methane and carbon dioxide using molecular dynamics simulation, based on a maximum in the variation of self-diffusivity with loading. A comparison of the MD simulation results with self-diffusivities from quasi-elastic neutron scattering (QENS) measurements and, with macroscopic uptake-based low-density transport coefficients, reveals the existence of internal barriers not captured in MD simulation and QENS experiments. Nevertheless, the simulation and macroscopic uptake-based diffusion coefficients agree within a factor of 2-3, indicating that our HRMC model structure captures most of the important energy barriers affecting the transport of CH4 in the nanostructure of SiC-DC.

  9. Electron energization and structure of the diffusion region during asymmetric reconnection

    National Research Council Canada - National Science Library

    Chen, Li‐Jen; Hesse, Michael; Wang, Shan; Bessho, Naoki; Daughton, William

    2016-01-01

    Results from particle‐in‐cell simulations of reconnection with asymmetric upstream conditions are reported to elucidate electron energization and structure of the electron diffusion region (EDR...

  10. The reports of thick discs' deaths are greatly exaggerated. Thick discs are NOT artefacts caused by diffuse scattered light

    Science.gov (United States)

    Comerón, S.; Salo, H.; Knapen, J. H.

    2018-02-01

    Recent studies have made the community aware of the importance of accounting for scattered light when examining low-surface-brightness galaxy features such as thick discs. In our past studies of the thick discs of edge-on galaxies in the Spitzer Survey of Stellar Structure in Galaxies - the S4G - we modelled the point spread function as a Gaussian. In this paper we re-examine our results using a revised point spread function model that accounts for extended wings out to more than 2\\farcm5. We study the 3.6 μm images of 141 edge-on galaxies from the S4G and its early-type galaxy extension. Thus, we more than double the samples examined in our past studies. We decompose the surface-brightness profiles of the galaxies perpendicular to their mid-planes assuming that discs are made of two stellar discs in hydrostatic equilibrium. We decompose the axial surface-brightness profiles of galaxies to model the central mass concentration - described by a Sérsic function - and the disc - described by a broken exponential disc seen edge-on. Our improved treatment fully confirms the ubiquitous occurrence of thick discs. The main difference between our current fits and those presented in our previous papers is that now the scattered light from the thin disc dominates the surface brightness at levels below μ 26 mag arcsec-2. We stress that those extended thin disc tails are not physical, but pure scattered light. This change, however, does not drastically affect any of our previously presented results: 1) Thick discs are nearly ubiquitous. They are not an artefact caused by scattered light as has been suggested elsewhere. 2) Thick discs have masses comparable to those of thin discs in low-mass galaxies - with circular velocities vc< 120 km s-1 - whereas they are typically less massive than the thin discs in high-mass galaxies. 3) Thick discs and central mass concentrations seem to have formed at the same epoch from a common material reservoir. 4) Approximately 50% of the up

  11. Polarized light scattering as a probe for changes in chromosome structure

    Energy Technology Data Exchange (ETDEWEB)

    Shapiro, Daniel Benjamin [Univ. of California, Berkeley, CA (United States)

    1993-10-01

    Measurements and calculations of polarized light scattering are applied to chromosomes. Calculations of the Mueller matrix, which completely describes how the polarization state of light is altered upon scattering, are developed for helical structures related to that of chromosomes. Measurements of the Mueller matrix are presented for octopus sperm heads, and dinoflagellates. Comparisons of theory and experiment are made. A working theory of polarized light scattering from helices is developed. The use of the first Born approximation vs the coupled dipole approximation are investigated. A comparison of continuous, calculated in this work, and discrete models is also discussed. By comparing light scattering measurements with theoretical predictions the average orientation of DNA in an octopus sperm head is determined. Calculations are made for the Mueller matrix of DNA plectonemic helices at UV, visible and X-ray wavelengths. Finally evidence is presented that the chromosomes of dinoflagellates are responsible for observed differential scattering of circularly-polarized light. This differential scattering is found to vary in a manner that is possibly correlated to the cell cycle of the dinoflagellates. It is concluded that by properly choosing the wavelength probe polarized light scattering can provide a useful tool to study chromosome structure.

  12. Application of Small-Angle Neutron and X-ray Scattering in Determining Lipid Bilayer Structure

    Science.gov (United States)

    Pan, Jianjun; Heberle, Frederick A.; Kucerka, Norbert; Tristram-Nagle, Stephanie; Szymanski, Michelle; Koepfinger, Mary; Katsaras, John

    2012-02-01

    Accurately determining lipid structure in biologically relevant fluid bilayers is not straightforward. We have recently developed a hybrid experimental/computational technique (i.e., the scattering density profile, or SDP model), which exploits the fact that neutron and X-ray scattering are sensitive to different bilayer thicknesses - the large difference in neutron scattering length density (SLD) between proteated lipid and deuterated water defines the overall bilayer thickness, while X-ray scattering resolves the headgroup-headgroup distance due to the large scattering contrast between the electron-rich phosphate groups and the hydrocarbon/aqueous medium. A key step in the SDP analysis is the use of MD simulations to parse the lipid molecule into fragments whose volume probability distributions follow simple analytical functional forms. Given the appropriate atomic scattering lengths, these volume probabilities can simultaneously predict both the neutron and X-ray SLD profiles, and hence the scattering form factors. Structural results for commonly used phosphatidylcholine and phosphatidylglycerol lipids will be given.

  13. Use of diffusion magnetic resonance imaging to correlate the developmental changes in grape berry tissue structure with water diffusion patterns.

    Science.gov (United States)

    Dean, Ryan J; Stait-Gardner, Timothy; Clarke, Simon J; Rogiers, Suzy Y; Bobek, Gabriele; Price, William S

    2014-01-01

    Over the course of grape berry development, the tissues of the berry undergo numerous morphological transformations in response to processes such as water and solute accumulation and cell division, growth and senescence. These transformations are expected to produce changes to the diffusion of water through these tissues detectable using diffusion magnetic resonance imaging (MRI). To assess this non-invasive technique diffusion was examined over the course of grape berry development, and in plant tissues with contrasting oil content. In this study, the fruit of Vitis vinfera L. cv. Semillon at seven different stages of berry development, from four weeks post-anthesis to over-ripe, were imaged using diffusion tensor and transverse relaxation MRI acquisition protocols. Variations in diffusive motion between these stages of development were then linked to known events in the morphological development of the grape berry. Within the inner mesocarp of the berry, preferential directions of diffusion became increasingly apparent as immature berries increased in size and then declined as berries progressed through the ripening and senescence phases. Transverse relaxation images showed radial striation patterns throughout the sub-tissue, initiating at the septum and vascular systems located at the centre of the berry, and terminating at the boundary between the inner and outer mesocarp. This study confirms that these radial patterns are due to bands of cells of alternating width that extend across the inner mesocarp. Preferential directions of diffusion were also noted in young grape seed nucelli prior to their dehydration. These observations point towards a strong association between patterns of diffusion within grape berries and the underlying tissue structures across berry development. A diffusion tensor image of a post-harvest olive demonstrated that the technique is applicable to tissues with high oil content. This study demonstrates that diffusion MRI is a powerful and

  14. Small-angle neutron scattering study of structural evolution of ...

    Indian Academy of Sciences (India)

    ... complex is found to be independent of the size of the micelles in their pure surfactant solutions. The structure of temperature-induced protein gels shows a fractal structure. Rheology of these gels shows a strong dependence on varying pH or protein concentration, whereas the structure of such gels is found to be similar.

  15. Estimation of canopy structure parameters from multiangular measurements of scattering components

    DEFF Research Database (Denmark)

    Kirk, Kristian; Andersen, Hans Jørgen

    2006-01-01

    Structure parameters for characterization of vegetation canopies are often estimated from remote optical measurements. Existing methods include those based on measurements of gap fraction, spectral vegetation indices, or the inversion of spectral canopy reflectance models. This paper proposes...... a novel method based on inversion of multiangular measurements of the abundances of light scattering components, which may be estimated using spectral unmixing. An algorithm is described for predicting the abundances of various scattering components using Monte Carlo simulation with a Poisson canopy model...

  16. Probabilistic diffusion tractography reveals improvement of structural network in musicians.

    Science.gov (United States)

    Li, Jianfu; Luo, Cheng; Peng, Yueheng; Xie, Qiankun; Gong, Jinnan; Dong, Li; Lai, Yongxiu; Li, Hong; Yao, Dezhong

    2014-01-01

    Musicians experience a large amount of information transfer and integration of complex sensory, motor, and auditory processes when training and playing musical instruments. Therefore, musicians are a useful model in which to investigate neural adaptations in the brain. Here, based on diffusion-weighted imaging, probabilistic tractography was used to determine the architecture of white matter anatomical networks in musicians and non-musicians. Furthermore, the features of the white matter networks were analyzed using graph theory. Small-world properties of the white matter network were observed in both groups. Compared with non-musicians, the musicians exhibited significantly increased connectivity strength in the left and right supplementary motor areas, the left calcarine fissure and surrounding cortex and the right caudate nucleus, as well as a significantly larger weighted clustering coefficient in the right olfactory cortex, the left medial superior frontal gyrus, the right gyrus rectus, the left lingual gyrus, the left supramarginal gyrus, and the right pallidum. Furthermore, there were differences in the node betweenness centrality in several regions. However, no significant differences in topological properties were observed at a global level. We illustrated preliminary findings to extend the network level understanding of white matter plasticity in musicians who have had long-term musical training. These structural, network-based findings may indicate that musicians have enhanced information transmission efficiencies in local white matter networks that are related to musical training.

  17. Probabilistic diffusion tractography reveals improvement of structural network in musicians.

    Directory of Open Access Journals (Sweden)

    Jianfu Li

    Full Text Available PURPOSE: Musicians experience a large amount of information transfer and integration of complex sensory, motor, and auditory processes when training and playing musical instruments. Therefore, musicians are a useful model in which to investigate neural adaptations in the brain. METHODS: Here, based on diffusion-weighted imaging, probabilistic tractography was used to determine the architecture of white matter anatomical networks in musicians and non-musicians. Furthermore, the features of the white matter networks were analyzed using graph theory. RESULTS: Small-world properties of the white matter network were observed in both groups. Compared with non-musicians, the musicians exhibited significantly increased connectivity strength in the left and right supplementary motor areas, the left calcarine fissure and surrounding cortex and the right caudate nucleus, as well as a significantly larger weighted clustering coefficient in the right olfactory cortex, the left medial superior frontal gyrus, the right gyrus rectus, the left lingual gyrus, the left supramarginal gyrus, and the right pallidum. Furthermore, there were differences in the node betweenness centrality in several regions. However, no significant differences in topological properties were observed at a global level. CONCLUSIONS: We illustrated preliminary findings to extend the network level understanding of white matter plasticity in musicians who have had long-term musical training. These structural, network-based findings may indicate that musicians have enhanced information transmission efficiencies in local white matter networks that are related to musical training.

  18. Deuterium short-range order in Pd0.975Ag0.025D0.685 by diffuse neutron scattering

    DEFF Research Database (Denmark)

    Blaschko, O.; Klemencic, R.; Fratzl, P.

    1983-01-01

    By diffuse neutron scattering the D short-range order in a Pd0.975Ag0.025D0.685 crystal was investigated at 50 and 70K. The results are compared with the D ordering in the PdDx system previously investigated, and it is shown that the isointensity contours around the (1/2,1,0) point are similar to...

  19. Structure determination of surface adsorption and surface alloy phases using medium energy ion scattering

    Energy Technology Data Exchange (ETDEWEB)

    Woodruff, D.P. E-mail: d.p.woodruff@warwick.ac.uk; Brown, D.; Quinn, P.D.; Noakes, T.C.Q.; Bailey, P

    2001-07-01

    Through a series of investigations of the quantitative structure of monolayer surface alloy phases of Cu(1 0 0)/Au, Cu(1 0 0)/Mn, Cu(1 1 1)/Sb and Ni(1 1 1)/Pb a number of aspects of the methodology of medium energy ion scattering (MEIS) have been investigated. These include the form of reliability-factors (R-factors) used to provide an objective test of the fit of experimental blocking curves and those simulated for different model structures, and the criteria used to define the precision and uniqueness of such models. The role of absolute calibration of the scattered ion yields and the appropriate choice of scattering geometry are also discussed in the context of these specific studies. The quantitative results for these surface alloy structures also cast some light on the effective atomic radii in such structures and highlight the general trend for phases with low surface corrugation or rumpling.

  20. Optimum topology design for the concentrated force diffusion structure of strap-on launch vehicle

    Directory of Open Access Journals (Sweden)

    Mei Yong

    2017-01-01

    Full Text Available The thrust from the booster of strap-on launch vehicle is transmitted to the core via the strap-on linkage device, so the reinforced structure to diffusion the concentrated force should be employed in the installation site of this device. To improve the bearing-force characteristics of the concentrated force diffusion structure in strap-on linkage section and realize the lightweight design requirements, topology optimization under multiple load cases is conducted for the concentrated force diffusion structure in this study. The optimal configuration finally obtained can achieve 17.7% reduction in total weight of the structure. Meanwhile, results of strength analysis under standard load cases show the stress level of this design scheme of the concentrated force diffusion structure meet design requirements and the proposed topology optimization method is suitable for the design of the concentrated force diffusion structure in concept design phase.

  1. Diffuse scattering from an Al{sub 72}Ni{sub 20}Co{sub 8} decagonal quasicrystal on an order-disorder transformation

    Energy Technology Data Exchange (ETDEWEB)

    Abe, H [Department of Materials Science and Engineering, National Defense Academy, 1-10-20 Hashirimizu, Yokosuka 239-8686 (Japan); Saitoh, H [Institute of Materials Science, University of Tsukuba, 1-1-1 Tennoudai, Tsukuba 305-8573 (Japan); Ueno, T [Institute of Materials Science, University of Tsukuba, 1-1-1 Tennoudai, Tsukuba 305-8573 (Japan); Nakao, H [Department of Physics, Tohoku University, Sendai 980-8578 (Japan); Matsuo, Y [Department of Physics, Nara Women' s University, Kitauoya-Higasi, Nara 630-8506 (Japan); Ohshima, K [Institute of Materials Science, University of Tsukuba, 1-1-1 Tennoudai, Tsukuba 305-8573 (Japan); Matsumoto, H [Department of Materials Science and Engineering, National Defense Academy, 1-10-20 Hashirimizu, Yokosuka 239-8686 (Japan)

    2003-03-19

    Non-uniform distortion induced by superstructure domains has been observed during the ordering process of an order-disorder transformation in a single decagonal quasicrystal of Al{sub 72}Ni{sub 20}Co{sub 8}. The full width at half maximum (FWHM) of the fundamental reflections increased below the transformation temperature, T{sub c}. At the same time, the integrated intensity of the fundamental reflections varied drastically at T{sub c}. A small hysteresis was also observed in the temperature dependences of both the FWHM and the integrated intensity of the fundamental reflections. Peak broadening of the fundamental reflections is predominantly dependent on |G{sup par}| below T{sub c}. In addition, the weak dependence of the peak broadening with |G{sup perp}| is extracted from the observed FWHM of the fundamental reflections. After deconvolution, the FWHM of the fundamental reflections appears to be a linear combination of |G{sup par}| and |G{sup perp}|. Coexistence of the non-uniform distortion and of the random phason strain contributes to the ordering process below T{sub c}. The diffuse scattering from atomic short-range order (SRO) was distributed around the ideal positions of the superstructure reflections. The SRO diffuse scattering disappeared completely above T{sub c} + 10 K. In addition, a small hysteresis of the SRO diffuse scattering was found in the temperature cycle.

  2. Small-angle neutron scattering study of aggregate structures of multi ...

    Indian Academy of Sciences (India)

    The aggregate structures of a set of novel single-chain surfactants bearing one, two and three pyridinium headgroups have been studied using small-angle neutron scattering (SANS). It is found that the nature of aggregate structures of these cationic surfactants depend on the number of headgroups present in the ...

  3. Solving atomic structures using statistical mechanical searches on x-ray scattering derived potential energy surfaces

    Science.gov (United States)

    Wright, Christopher James

    Engineering the next generation of materials, especially nanomaterials, requires a detailed understanding of the material's underlying atomic structure. These structures give us better insight into structure-property relationships, allowing for property driven material design on the atomic level. Even more importantly, understanding structures in-situ will translate stimuli and responses on the macroscopic scale to changes on the nanoscale. Despite the importance of precise atomic structures for materials design, solving atomic structures is difficult both experimentally and computationally. Atomic pair distribution functions (PDFs) provide information on atomic structure, but the difficulty of extracting the PDF from x-ray total scattering measurements limits their use. Translating the PDF into an atomic structure requires the search of a very high dimensional space, the set of all potential atomic configurations. The large computational cost of running these simulations also limits the use of PDF as an atomistic probe. This work aims to address these issues by developing 1) novel statistical mechanical approaches to solving material structures, 2) fast simulation of x-ray total scattering and atomic pair distribution functions (PDFs), and 3) data processing procedures for experimental x-ray total scattering measurements. First, experimentally derived potential energy surfaces (PES) and the statistical mechanical ensembles used to search them are developed. Then the mathematical and computational framework for the PDF and its gradients will be discussed. The combined PDF-PES-ensemble system will be benchmarked against a series of nanoparticle structures to ascertain the efficiency and effectiveness of the system. Experimental data processing procedures, which maximize the usable data, will be presented. Finally, preliminary results from experimental x-ray total scattering measurements will be discussed. This work presents one of the most complete end

  4. Neutron Scattering Studies of Nanomagnetism and Artificially Structured Materials

    Energy Technology Data Exchange (ETDEWEB)

    Fitzsimmons, M.R.; Bader, S.D.; Borchers, J.A.; Felcher, G.P.; Furdyna, J.K.; Hoffmann, A.; Kortright, J.B.; Schuller, Ivan K.; Schulthess, T.C.; Sinha, S.K.; Toney, M.F.; Weller, D.; Wolf, S.

    2003-02-01

    Nanostructured magnetic materials are intensively studied due to their unusual properties and promise for possible applications. The key issues in these materials relate to the connection between their physical properties (transport, magnetism, mechanical, etc.) and their chemical-physical structure. In principle, a detailed knowledge of the chemical and physical structure allows calculation of their physical properties. Theoretical and computational methods are rapidly evolving so that magnetic properties of nanostructured materials might soon be predicted. Success in this endeavor requires detailed quantitative understanding of the magnetic structure and properties.

  5. Detection of internal structure by scattered light intensity: Application to kidney cell sorting

    Science.gov (United States)

    Goolsby, C. L.; Kunze, M. E.

    1985-01-01

    Scattered light measurements in flow cytometry were sucessfully used to distinguish cells on the basis of differing morphology and internal structure. Differences in scattered light patterns due to changes in internal structure would be expected to occur at large scattering angles. Practically, the results of these calculations suggest that in experimental situations an array of detectors would be useful. Although in general the detection of the scattered light intensity at several intervals within the 10 to 60 region would be sufficient, there are many examples where increased sensitivity could be acheived at other angles. The ability to measure at many different angular intervals would allow the experimenter to empirically select the optimum intervals for the varying conditions of cell size, N/C ratio, granule size and internal structure from sample to sample. The feasibility of making scattered light measurements at many different intervals in flow cytometry was demonstrated. The implementation of simplified versions of these techniques in conjunction with independant measurements of cell size could potentially improve the usefulness of flow cytometry in the study of the internal structure of cells.

  6. Structure of light neutron-rich nuclei and mechanism of elastic proton scattering

    Energy Technology Data Exchange (ETDEWEB)

    Ibraeva, E. T., E-mail: ibr@inp.kz [National Nuclear Center of the Republic of Kazakhstan, Institute of Nuclear Physics (Kazakhstan); Zhusupov, M. A. [Al-Farabi Kazakh National University (Kazakhstan); Imambekov, O. [National Nuclear Center of the Republic of Kazakhstan, Institute of Nuclear Physics (Kazakhstan)

    2011-11-15

    Differential cross sections for elastic p{sup 6}He, p{sup 8}Li, and p{sup 9}Li scattering at two energies of 70 and 700 MeV per nucleon were calculated within the Glauber theory of multiple diffractive scattering. Threeparticle wave functions ({alpha}-n-n for {sup 6}He, {alpha}-t-n for {sup 8}Li, and {sup 7}Li-n-n for {sup 9}Li) were used for realistic potentials of intercluster interactions. The sensitivity of elastic scattering to proton-nucleus interaction and to the structure of nuclei was explored. In particular, the dependence of the differential cross section on the contribution of higher order collisions, on scattering on the core and peripheral nucleons, and on the contribution of small wave-function components and their asymptotic behavior was determined. A comparison with available experimental data and with the results of calculations within different formalisms was performed.

  7. Four-gluon scattering at three loops, infrared structure and Regge limit

    CERN Document Server

    Henn, Johannes M.

    2016-01-01

    We compute the three-loop four-gluon scattering amplitude in maximally supersymmetric Yang-Mills theory, including its full color dependence. Our result is the first complete computation of a non-planar four-particle scattering amplitude to three loops in four-dimensional gauge theory and consequently provides highly non-trivial data for the study of non-planar scattering amplitudes. We present the amplitude as a Laurent expansion in the dimensional regulator to finite order, with coefficients composed of harmonic poly-logarithms of uniform transcendental weight, and simple rational prefactors. Our computation provides an independent check of a recent result for three-loop corrections to the soft anomalous dimension matrix that predicts the general infrared singularity structure of massless gauge theory scattering amplitudes. Taking the Regge limit of our result, we determine the three-loop gluon Regge trajectory. We also find agreement with very recent predictions for sub-leading logarithms.

  8. Second-Harmonic Scattering as a Probe of Structural Correlations in Liquids

    CERN Document Server

    Tocci, Gabriele; Wilkins, David M; Roke, Sylvie; Ceriotti, Michele

    2016-01-01

    Second-harmonic scattering experiments of water and other bulk molecular liquids have long been assumed to be insensitive to interactions between the molecules. The measured intensity is generally thought to arise from incoherent scattering due to individual molecules. We introduce a method to compute the second-harmonic scattering pattern of molecular liquids directly from atomistic computer simulations, which takes into account the coherent terms. We apply this approach to large-scale molecular dynamics simulations of liquid water, where we show that nanosecond second-harmonic scattering experiments contain a coherent contribution arising from radial and angular correlations on a length scale of < 1 nm, much shorter than had been recently hypothesized (Shelton, D. P. J. Chem. Phys. 2014, 141). By combining structural correlations from simulations with experimental data (Shelton, D. P. J. Chem. Phys. 2014, 141), we can also extract an effective molecular hyperpolarizability in the liquid phase. This work ...

  9. Self-intermediate scattering function of strongly interacting three-dimensional lattice gases: time- and wave-vector-dependent tracer diffusion coefficient.

    Science.gov (United States)

    Skarpalezos, Loukas; Argyrakis, Panos; Vikhrenko, Vyacheslav S

    2014-05-01

    We investigate the self-intermediate scattering function (SISF) in a three-dimensional (3D) cubic lattice fluid (interacting lattice gas) with attractive nearest-neighbor interparticle interactions at a temperature slightly above the critical one by means of Monte Carlo simulations. A special representation of SISF as an exponent of the mean tracer diffusion coefficient multiplied by the geometrical factor and time is considered to highlight memory effects that are included in time and wave-vector dependence of the diffusion coefficient. An analytical expression for the diffusion coefficient is suggested to reproduce the simulation data. It is shown that the particles' mean-square displacement is equal to the time integral of the diffusion coefficient. We make a comparison with the previously considered 2D system on a square lattice. The main difference with the two-dimensional case is that the time dependence of particular characteristics of the tracer diffusion coefficient in the 3D case cannot be described by exponentially decreasing functions, but requires using stretched exponentials with rather small values of exponents, of the order of 0.2. The hydrodynamic values of the tracer diffusion coefficient (in the limit of large times and small wave vectors) defined through SIFS simulation results agree well with the results of its direct determination by the mean-square displacement of the particles in the entire range of concentrations and temperatures.

  10. Study of catanionic systems by X-rays and neutron scattering; Etude de melanges de catanioniques par diffusion de rayonnement

    Energy Technology Data Exchange (ETDEWEB)

    Vaudrin, C.; Dubois, M.; Zemb, T

    2001-07-01

    The catanionic ternary phase diagram, myristic acid, cetyl-trimethyl-ammonium hydroxide, water is known since 1998. Many specific structures, as discs, icosahedral or extremely swollen lamellar phases, have been characterised. The work presented here is looking particularly toward lamellar domains, and its aim is to understand on one hand the organisation of each surfactant in the lamellar plane, and on the other hand to understand the influence of the excess of surfactant, i.e. the surface charge of the aggregates. DSC analyses and X-rays scattering confirmed the very importance of the head-group interactions. Indeed, the polar heads of opposite sign are closed together and induced a crystallisation of the alkyl chains. But, by the fact that the chains are physically and not chemically linked, the structure keeps a huge thermal expansion coefficient. Some kinetic experiments are also summed up in this report. The gel or fluid state of the chains appears to be an important parameter in the kinetic of formation and of destruction of the lamellar phases. (authors)

  11. Self- and dopant diffusion in extrinsic boron doped isotopically controlled silicon multilayer structures

    Energy Technology Data Exchange (ETDEWEB)

    Sharp, Ian D.; Bracht, Hartmut A.; Silvestri, Hughes H.; Nicols, Samuel P.; Beeman, Jeffrey W.; Hansen, John L.; Nylandsted Larsen, Arne; Haller, Eugene E.

    2002-04-01

    Isotopically controlled silicon multilayer structures were used to measure the enhancement of self- and dopant diffusion in extrinsic boron doped silicon. {sup 30}Si was used as a tracer through a multilayer structure of alternating natural Si and enriched {sup 28}Si layers. Low energy, high resolution secondary ion mass spectrometry (SIMS) allowed for simultaneous measurement of self- and dopant diffusion profiles of samples annealed at temperatures between 850 C and 1100 C. A specially designed ion- implanted amorphous Si surface layer was used as a dopant source to suppress excess defects in the multilayer structure, thereby eliminating transient enhanced diffusion (TED) behavior. Self- and dopant diffusion coefficients, diffusion mechanisms, and native defect charge states were determined from computer-aided modeling, based on differential equations describing the diffusion processes. We present a quantitative description of B diffusion enhanced self-diffusion in silicon and conclude that the diffusion of both B and Si is mainly mediated by neutral and singly positively charged self-interstitials under p-type doping. No significant contribution of vacancies to either B or Si diffusion is observed.

  12. Investigation of 76Ge structure via inelastic scattering studies

    Science.gov (United States)

    Crider, B. P.; Mukhopadhyay, S.; Brown, B. A.; Ashley, S. F.; Chakraborty, A.; Kumar, A.; Peters, E. E.; McEllistrem, M. T.; Prados-Estévez, F. M.; Yates, S. W.

    2017-09-01

    The search for neutrinoless double- β decay (0 νββ) of 76Ge has led to renewed interest in the structure of this mass region, as structural information helps constrain calculations of the 0 νββ nuclear matrix elements. The structure of many of the even-even Ge isotopes, including 76Ge, show interesting features, such as low-lying 0+ states that have been interpreted as evidence for shape coexistence, as well as indications of triaxiality. Of fundamental importance in understanding the nature of the excited states in 76Ge is the determination of transition strengths, which has been obtained through 76Ge(n,n' γ) studies at the University of Kentucky and the 76Ge (γ ,γ') reaction at the High Intensity γ-Ray Source at Duke University. The measured transition strengths support the identification of band structure in 76Ge, a newly observed mixed-symmetry state, and the M1 scissors mode. This material is based upon work supported by the U.S. National Science Foundation under Grant No. PHY-1606890.

  13. α +15 O cluster structures in 19Ne and the α resonant scattering

    Science.gov (United States)

    Otani, Reiji; Iwasaki, Masataka; Tomita, Masashi; Ito, Makoto

    2014-09-01

    Cluster structures are well known to appear in the excited states of light nuclear systems. A typical example is the α+16 O cluster structures in 20Ne, and the α+15 N structures are also deeply analyzed in 19F, which is one proton deficient system of 20Ne. However, the α+15 O structure, corresponding to the neutron deficient system of 20Ne, still remains unclear. In the present study, we investigate the α+15 O structure in 19Ne by employing a simple potential model. We assume the Wood-Saxon potential for the nuclear potential of α+15 O, and its parameter set is fixed by solving the α+15 N elastic scattering. From the nuclear potential determined from the α+15 N scattering problem, we calculate the energy levels in the 19Ne = α+15 O system by adding the Coulomb interaction to the α+15 N system. The absorbing boundary condition is imposed on the unbound states in α+15 O, and the resonant levels in 19Ne are identified. We have also calculated the excitation function of the resonant α+15 O elastic scattering under the same condition as the recent experiments. In the present report, we will show our prediction of the α+15 O rotational bands and the cross sections in the resonant α scattering. Moreover, we will also report the application of the microscopic cluster model to the 19Ne = α+15 O system.

  14. Solution structure of a short dna fragment studied by neutron scattering

    DEFF Research Database (Denmark)

    Lederer, H.; May, R. P.; Kjems, Jørgen

    1986-01-01

    The solution structure of a DNA fragment of 130 base pairs and known sequence has been investigated by neutron small-angle scattering. In 0.1 M NaCl, the overall structure of the DNA fragment which contains the strong promoter A1 of the Escherichia coli phage T7 agrees with that expected for B......-DNA. The neutron scattering curve is well fitted by that of a rigid rod with a length of 44 nm and a diameter of 2 nm. The result were confirmed by quasi-elastic light scattering and analytical centrifugation. The neutron measurements in H2O and D2O buffer reveal a cross-sectional in homogeneity not detected by X...

  15. Small-angle X-ray scattering: a bridge between RNA secondary structures and three-dimensional topological structures

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Xianyang [National Inst. of Health (NIH), Bethesda, MD (United States). National Cancer Inst., NCI Small Angle X-ray Scattering Core Facility; Stagno, Jason R. [National Inst. of Health (NIH), Bethesda, MD (United States). National Cancer Inst., Protein-Nucleic Acid Interaction Section, Structural Biophysics Lab.; Bhandari, Yuba R. [National Inst. of Health (NIH), Bethesda, MD (United States). National Cancer Inst., Protein-Nucleic Acid Interaction Section, Structural Biophysics Lab.; Zuo, Xiaobing [Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS); Wang, Yun-Xing [National Inst. of Health (NIH), Bethesda, MD (United States). National Cancer Inst., NCI Small Angle X-ray Scattering Core Facility; National Inst. of Health (NIH), Bethesda, MD (United States). National Cancer Inst., Protein-Nucleic Acid Interaction Section, Structural Biophysics Lab.

    2015-02-01

    Whereas the structures of small to medium-sized well folded RNA molecules often can be determined by either X-ray crystallography or NMR spectroscopy, obtaining structural information for large RNAs using experimental, computational, or combined approaches remains a major interest and challenge. RNA is very sensitive to small-angle X-ray scattering (SAXS) due to high electron density along phosphate-sugar backbones, whose scattering contribution dominates SAXS intensity. For this reason, SAXS is particularly useful in obtaining global RNA structural information that outlines backbone topologies and, therefore, molecular envelopes. Such information is extremely valuable in bridging the gap between the secondary structures and three-dimensional topological structures of RNAmolecules, particularly those that have proven difficult to study using other structuredetermination methods. Here we review published results of RNA topological structures derived from SAXS data or in combination with other experimental data, as well as details on RNA sample preparation for SAXS experiments.

  16. Comparison of NMR and Dynamic Light Scattering for Measuring Diffusion Coefficients of Formulated Insulin: Implications for Particle Size Distribution Measurements in Drug Products.

    Science.gov (United States)

    Patil, Sharadrao M; Keire, David A; Chen, Kang

    2017-11-01

    Particle size distribution, a measurable physicochemical quantity, is a critical quality attribute of drug products that needs to be controlled in drug manufacturing. The non-invasive methods of dynamic light scattering (DLS) and Diffusion Ordered SpectroscopY (DOSY) NMR can be used to measure diffusion coefficient and derive the corresponding hydrodynamic radius. However, little is known about their use and sensitivity as analytical tools for particle size measurement of formulated protein therapeutics. Here, DLS and DOSY-NMR methods are shown to be orthogonal and yield identical diffusion coefficient results for a homogenous monomeric protein standard, ribonuclease A. However, different diffusion coefficients were observed for five insulin drug products measured using the two methods. DOSY-NMR yielded an averaged diffusion coefficient among fast exchanging insulin oligomers, ranging between dimer and hexamer in size. By contrast, DLS showed several distinct species, including dimer, hexamer, dodecamer and other aggregates. The heterogeneity or polydisperse nature of insulin oligomers in formulation caused DOSY-NMR and DLS results to differ from each other. DLS measurements provided more quality attributes and higher sensitivity to larger aggregates than DOSY-NMR. Nevertheless, each method was sensitive to a different range of particle sizes and complemented each other. The application of both methods increases the assurance of complex drug quality in this similarity comparison.

  17. Nuclear structure of 76Se from inelastic neutron scattering measurements

    Science.gov (United States)

    Mukhopadhyay, Sharmistha

    2017-09-01

    The low-lying, low-spin levels of 76Se were studied with the (n,n' γ) reaction. Gamma-ray excitation function measurements were performed at incident neutron energies from 2.0 to 3.5 MeV, and γ-ray angular distributions were measured at neutron energies of 2.4, 3.0 and 3.7 MeV. From these measurements, level spins, level lifetimes, γ-ray intensities, and multipole mixing ratios were determined. Interpreting the nuclear structure of the stable Se nuclei is challenging, with shape transitions, shape coexistence, and triaxiality in evidence. The low-lying structure of 76Se appears to be the most vibrational of the Se isotopes, with a two-phonon (0+, 2+, 4+) triplet of collective states. In addition to these clearly collective excitations, we have identified and characterized a 4+ ->2+ ->0+ cascade of two E 2 transitions built on the first excited 0+ state at 1122 keV. The picture for 76Se thus differs from 72Se and 74Se, and indicates that the configuration mixing of this coexisting band is less than exhibited in the other Se nuclei. Comparison of the low-lying level schemes of 76Ge and 76Se, the double-beta decay daughter, shows a marked difference. This material is based upon work supported by the U.S. National Science Foundation under Grant No. PHY-1606890.

  18. Interface structure of Be/DSCu diffusion bonding

    Energy Technology Data Exchange (ETDEWEB)

    Makino, T.; Iwadachi, T. [NGK Insulators Ltd., Nagoya (Japan)

    1998-01-01

    Beryllium is used as plasma facing components of the first wall on ITER. Dispersion-Strengthened Copper (DSCu) is used as heat sink material by joining to Be because DSCu has high thermal conductivity and strength. In this study, Be/DSCu diffusion bonding tests using the interlayer of Al, Ni, Nb, Ti, Zr and Be-Cu alloy have been conducted to choose the suitable interlayer materials. As a result of the shear strength tests, Be/DSCu joints by using Be-Cu alloy interlayer showed the strength of about 200 MPa. Diffusion bonding tests using Be-Cu alloy interlayer or no interlayer (direct bonding) at the range of temperature from 600degC to 850degC have been conducted to identify the effect of bonding temperature and time on interface formation and strength. The thickness of diffusion layer was proportional to a square root of bonding time by diffusion controlled process. The shear strength is controlled by the formation of intermetallic layer at Be side. (author)

  19. On the electron-scattering power of protein structures in the spinach chloroplast

    NARCIS (Netherlands)

    Bustraan, M.; Goedheer, J.C.; Thomas, J.B.

    1952-01-01

    The relative electron-scattering power of chromidia and interchromidia in protein structures of the spinach chloroplast was examined with the aid of the electron microscope. It has been demonstrated that: 1. 1. The technique of Marton and Schiff holds for WO3 crystals and silica films

  20. Determining Complex Structures using Docking Method with Single Particle Scattering Data

    Directory of Open Access Journals (Sweden)

    Haiguang Liu

    2017-04-01

    Full Text Available Protein complexes are critical for many molecular functions. Due to intrinsic flexibility and dynamics of complexes, their structures are more difficult to determine using conventional experimental methods, in contrast to individual subunits. One of the major challenges is the crystallization of protein complexes. Using X-ray free electron lasers (XFELs, it is possible to collect scattering signals from non-crystalline protein complexes, but data interpretation is more difficult because of unknown orientations. Here, we propose a hybrid approach to determine protein complex structures by combining XFEL single particle scattering data with computational docking methods. Using simulations data, we demonstrate that a small set of single particle scattering data collected at random orientations can be used to distinguish the native complex structure from the decoys generated using docking algorithms. The results also indicate that a small set of single particle scattering data is superior to spherically averaged intensity profile in distinguishing complex structures. Given the fact that XFEL experimental data are difficult to acquire and at low abundance, this hybrid approach should find wide applications in data interpretations.

  1. Three-dimensional Morphology and X-ray Scattering Structure of ...

    Indian Academy of Sciences (India)

    Abstract. It is well established that water-alcohol mixtures exhibit anomalous properties at very low as well ... of water and tert-butanol (TBA) by using simulated X-ray scattering structure function, S(q), real space radial and spatial ... which is due to polar-polar and nonpolar-polar correlations in pure TBA, seems to appear.

  2. Invisible detergents for structure determination of membrane proteins by small-angle neutron scattering

    DEFF Research Database (Denmark)

    Midtgaard, Søren Roi; Darwish, Tamim A.; Pedersen, Martin Cramer

    2018-01-01

    A novel and generally applicable method for determining structures of membrane proteins in solution via small-angle neutron scattering (SANS) is presented. Common detergents for solubilizing membrane proteins were synthesized in isotope-substituted versions for utilizing the intrinsic neutron sca...

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

    Science.gov (United States)

    Kučerka, Norbert; Heberle, Frederick A; Pan, Jianjun; Katsaras, John

    2015-09-21

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

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

    Directory of Open Access Journals (Sweden)

    Norbert Kučerka

    2015-09-01

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

  5. Determining Complex Structures using Docking Method with Single Particle Scattering Data.

    Science.gov (United States)

    Wang, Hongxiao; Liu, Haiguang

    2017-01-01

    Protein complexes are critical for many molecular functions. Due to intrinsic flexibility and dynamics of complexes, their structures are more difficult to determine using conventional experimental methods, in contrast to individual subunits. One of the major challenges is the crystallization of protein complexes. Using X-ray free electron lasers (XFELs), it is possible to collect scattering signals from non-crystalline protein complexes, but data interpretation is more difficult because of unknown orientations. Here, we propose a hybrid approach to determine protein complex structures by combining XFEL single particle scattering data with computational docking methods. Using simulations data, we demonstrate that a small set of single particle scattering data collected at random orientations can be used to distinguish the native complex structure from the decoys generated using docking algorithms. The results also indicate that a small set of single particle scattering data is superior to spherically averaged intensity profile in distinguishing complex structures. Given the fact that XFEL experimental data are difficult to acquire and at low abundance, this hybrid approach should find wide applications in data interpretations.

  6. Fitting the CDO correlation skew: a tractable structural jump-diffusion model

    DEFF Research Database (Denmark)

    Willemann, Søren

    2007-01-01

    We extend a well-known structural jump-diffusion model for credit risk to handle both correlations through diffusion of asset values and common jumps in asset value. Through a simplifying assumption on the default timing and efficient numerical techniques, we develop a semi-analytic framework all...

  7. Soot measurements by two angle scattering and extinction in an N 2 -diluted ethylene/air counterflow diffusion flame from 2 to 5 atm

    KAUST Repository

    Amin, Hafiz M.F.

    2016-06-27

    The soot formed in an N-diluted ethylene/air counterflow diffusion flame at elevated pressure was investigated using two angle light scattering/extinction technique. To provide a well-controlled pressurized environment for the flame, a novel pressure vessel was built with the required optical access. The soot parameters were measured along the centerline of the counterflow flame. These properties included soot volume fraction (f ), primary particle diameter (d ), population averaged radius of gyration (R ) and number density of primary particles (n ). The Rayleigh-Debye-Gans theory for Fractal Aggregates (RDG-FA) was used to retrieve these properties from scattering and extinction measurements. Soot volume fraction was measured via light extinction from 2 to 5atm while maintaining the same global strain rate at all pressures. Scattered light from soot particles was measured at 45° and 135° and primary particle diameter was calculated using scattering/extinction ratio and the radius of gyration was determined from the dissymmetry ratio. Soot volume fraction, primary particle diameter and radius of gyration all increased with pressure while the number density of primary particles decreased with increasing pressure.

  8. Interaction between structurally different heteroexopolysaccharides and β-lactoglobulin studied by solution scattering and analytical ultracentrifugation

    DEFF Research Database (Denmark)

    Khan, Sanaullah; Birch, Johnny; Van Calsteren, Marie-Rose

    2018-01-01

    to characterize the interactions of six lactic acid bacterial heteroexopolysaccharides (HePS-1-HePS-6) with β-lactoglobulin (BLG). Compared to free HePSs, a large increase in the X-ray radius of gyration RG, maximum length L and hydrodynamic diameter dH of HePS-1-HePS-4 mixed with BLG revealed strong aggregation......Despite a very large number of bacterial exopolysaccharides have been reported, detailed knowledge on their molecular structures and associative interactions with proteins is lacking. Small-angle X-ray scattering, dynamic light scattering and analytical ultracentrifugation (AUC) were used...

  9. Structure of Lambda(1405) and threshold behavior of pi Sigma scattering

    Energy Technology Data Exchange (ETDEWEB)

    Yoichi Ikeda, Tesuo Hyodo, Daisuke Jido, Hiroyuki Kamano, Toru Sato, Koichi Yazaki

    2011-01-01

    The scattering length and effective range of the pi-Sigma channel are studied in order to characterize the strangeness S = -1 meson-baryon scattering and the Lambda (1405) resonance. We examine various off-shell dependence of the amplitude in dynamical chiral models to evaluate the threshold quantities with the constraint at the KN threshold. We find that the pi-Sigma threshold parameters are important to the structure of the Lambda (1405) resonance and provide further constraints on the subthreshold extrapolation of the KN interaction.

  10. Diffusion of nanotechnology knowledge in Turkey and its network structure

    OpenAIRE

    Tonta, Yaşar; Darvish, Hamid

    2016-01-01

    This paper aims to assess the diffusion and adoption of nanotechnology knowledge within the Turkish scientific community using social network analysis (SNA) and bibliometrics. We retrieved a total of 10,062 records of nanotechnology papers authored by Turkish researchers between 2000 and 2011 from Web of Science (WoS) and divided the data set into two 6-year periods. We analyzed the most prolific and collaborative authors and universities on individual, institutional and international level...

  11. Investigating Structure and Dynamics of Proteins in Amorphous Phases Using Neutron Scattering

    Directory of Open Access Journals (Sweden)

    Maria Monica Castellanos

    2017-01-01

    Full Text Available In order to increase shelf life and minimize aggregation during storage, many biotherapeutic drugs are formulated and stored as either frozen solutions or lyophilized powders. However, characterizing amorphous solids can be challenging with the commonly available set of biophysical measurements used for proteins in liquid solutions. Therefore, some questions remain regarding the structure of the active pharmaceutical ingredient during freezing and drying of the drug product and the molecular role of excipients. Neutron scattering is a powerful technique to study structure and dynamics of a variety of systems in both solid and liquid phases. Moreover, neutron scattering experiments can generally be correlated with theory and molecular simulations to analyze experimental data. In this article, we focus on the use of neutron techniques to address problems of biotechnological interest. We describe the use of small-angle neutron scattering to study the solution structure of biological molecules and the packing arrangement in amorphous phases, that is, frozen glasses and freeze-dried protein powders. In addition, we discuss the use of neutron spectroscopy to measure the dynamics of glassy systems at different time and length scales. Overall, we expect that the present article will guide and prompt the use of neutron scattering to provide unique insights on many of the outstanding questions in biotechnology.

  12. The structure of fillers, polymers and their interfaces in polymer composites using neutron scattering methods

    Energy Technology Data Exchange (ETDEWEB)

    Hjelm, R.P.

    1998-12-01

    The neutron scattering methods, small-angle neutron scattering and neutron reflectometry, provide information on the structure of polymer composite materials that is not available from other structural probes. The unique capabilities of these methods derive from three factors. First, the length scales probed correspond to polymer conformation, molecular and domain scales and to the characteristic sizes of many fillers. Second, neutrons are able to penetrate relatively thick samples, allowing bulk samples to be measured, and enabling buried interfaces to be studied. This characteristic also allows for the construction of special sample containment needed for studying materials under stress, extremes in pressure and temperature, etc. Third, neutrons readily distinguish between different light elements, and between different isotopes of the same element. The ability to distinguish between hydrogen and deuterium is particularly important in this regard. New ways of exploiting the capabilities of neutrons are opening up with the development of improved sources and instruments in the US and elsewhere. In this talk the author will discuss the basic concepts that give rise to the unique capabilities of neutron scattering, giving several examples of the uses of neutron scattering techniques in the study of polymer composites. The examples will include the morphology of fillers, polymer binders and matrices, interfaces and defect structures.

  13. Studies of magnetism with inelastic scattering of cold neutrons; Etudes de magnetisme realisees a l'aide de la diffusion inelastique de neutrons froids

    Energy Technology Data Exchange (ETDEWEB)

    Jacrot, B. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1964-07-01

    Inelastic scattering of cold neutrons can be used to study some aspects of magnetism: spins waves, exchange integrals, vicinity of Curie point. After description of the experimental set-up, several experiments, in the fields mentioned above, are analysed. (author) [French] La technique de diffusion inelastique des neutrons froids est utilisee pour etudier certains aspects du magnetisme: ondes de spins, integrales d'echange, etude au voisinage du point de Curie, etc. Apres une description de l'appareillage, on analyse diverses experiences effectuees dans les domaines enumeres plus haut. (auteur)

  14. Scattering analysis of periodic structures using finite-difference time-domain

    CERN Document Server

    ElMahgoub, Khaled; Elsherbeni, Atef Z

    2012-01-01

    Periodic structures are of great importance in electromagnetics due to their wide range of applications such as frequency selective surfaces (FSS), electromagnetic band gap (EBG) structures, periodic absorbers, meta-materials, and many others. The aim of this book is to develop efficient computational algorithms to analyze the scattering properties of various electromagnetic periodic structures using the finite-difference time-domain periodic boundary condition (FDTD/PBC) method. A new FDTD/PBC-based algorithm is introduced to analyze general skewed grid periodic structures while another algor

  15. Scattering and Diffraction of Electromagnetic Radiation: An Effective Probe to Material Structure

    Science.gov (United States)

    Xu, Yu-Lin

    2016-01-01

    Scattered electromagnetic waves from material bodies of different forms contain, in an intricate way, precise information on the intrinsic, geometrical and physical properties of the objects. Scattering theories, ever deepening, aim to provide dependable interpretation and prediction to the complicated interaction of electromagnetic radiation with matter. There are well-established multiple-scattering formulations based on classical electromagnetic theories. An example is the Generalized Multi-particle Mie-solution (GMM), which has recently been extended to a special version ? the GMM-PA approach, applicable to finite periodic arrays consisting of a huge number (e.g., >>106) of identical scattering centers [1]. The framework of the GMM-PA is nearly complete. When the size of the constituent unit scatterers becomes considerably small in comparison with incident wavelength, an appropriate array of such small element volumes may well be a satisfactory representation of a material entity having an arbitrary structure. X-ray diffraction is a powerful characterization tool used in a variety of scientific and technical fields, including material science. A diffraction pattern is nothing more than the spatial distribution of scattered intensity, determined by the distribution of scattering matter by way of its Fourier transform [1]. Since all linear dimensions entered into Maxwell's equations are normalized by wavelength, an analogy exists between optical and X-ray diffraction patterns. A large set of optical diffraction patterns experimentally obtained can be found in the literature [e.g., 2,3]. Theoretical results from the GMM-PA have been scrutinized using a large collection of publically accessible, experimentally obtained Fraunhofer diffraction patterns. As far as characteristic structures of the patterns are concerned, theoretical and experimental results are in uniform agreement; no exception has been found so far. Closely connected with the spatial distribution of

  16. Ab initio simulations and neutron scattering studies of structure and dynamics in PdH

    CERN Document Server

    Totolici, I E

    2001-01-01

    The work presented in this PhD thesis is concerned with the interpretation of the neutron scattering measurements from the palladium hydrogen system by means of ab initio electronic structure calculations. The motivation of performing such calculations was due to recent neutron scattering studies on this system that showed a strong directional dependence to the dynamical structure factor together with a complex dependence on energy. Here we attempt to describe the origin of these features by ab initio simulations of the dynamical structure factor. The method assumes an adiabatic separation of the motion of the proton and palladium atoms. The proton wave functions are calculated by a direct solution of the associated single-particle Schroedinger equation using a plane wave basis set method and a mapping of the adiabatic surface. The Fourier components of the adiabatic potential are obtained from LDA pseudopotential calculations. Using Fermi's golden rule within the Born approximation we were then able to calcu...

  17. Direct observation of single DNA structural alterations at low forces with surface-enhanced Raman scattering.

    Science.gov (United States)

    Rao, Satish; Raj, Saurabh; Cossins, Benjamin; Marro, Monica; Guallar, Victor; Petrov, Dmitri

    2013-01-08

    DNA experiences numerous mechanical events, necessitating single-molecule force spectroscopy techniques to provide insight into DNA mechanics as a whole system. Inherent Brownian motion limits current force spectroscopy methods from observing possible bond level structural changes. We combine optical trapping and surface-enhanced Raman scattering to establish a direct relationship between DNA's extension and structure in the low force, entropic regime. A DNA molecule is trapped close to a surface-enhanced Raman scattering substrate to facilitate a detectable Raman signal. DNA Raman modes shift in response to applied force, indicating phosphodiester mechanical alterations. Molecular dynamic simulations confirm the local structural alterations and the Raman sensitive band identified experimentally. The combined Raman and force spectroscopy technique, to our knowledge, is a novel methodology that can be generalized to all single-molecule studies. Copyright © 2013 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  18. Simultaneous laser-induced fluorescence and Rayleigh scattering measurements of structure in partially premixed flames

    Energy Technology Data Exchange (ETDEWEB)

    Heberle, N.H.; Smith, G.P.; Jeffries, J.B.; Crosley, D.R. [SRI International, Menlo Park, CA (United States). Materials Research Lab.; Dibble, R.W. [Combustion Analysis Laboratory, Department of Mechanical Engineering, University of California Berkeley, CA 94720 (United States)

    2000-11-01

    Laser-induced fluorescence and Rayleigh scattering measurements were made in well-stabilized, laminar partially premixed Bunsen-type methane/air flames. Simultaneous Rayleigh scattering (temperature) and laser-induced fluorescence (flame radical concentration) enable precise determination of the position of CH and OH radical structures in the gradient of the flame temperature. The OH and CH structures in the straight walls of the premixed inner flame cone are well described by models incorporating detailed flame chemistry and one-dimensional transport. Near the tip of the inner cone in regions of increased flame stretch, at richer stoichiometries of the premixed portion of the flames, and in flames perturbed by a metal insert, the measured structure of CH and OH deviates from this simple description. CH concentrations predicted by the model depend on flow rate, thus suggesting the importance of strain rate to prompt NO{sub x} formation in these flames. (orig.)

  19. Simultaneous Analysis of Secondary Structure and Light Scattering from Circular Dichroism Titrations: Application to Vectofusin-1

    Science.gov (United States)

    Vermeer, Louic S.; Marquette, Arnaud; Schoup, Michel; Fenard, David; Galy, Anne; Bechinger, Burkhard

    2016-01-01

    Circular Dichroism data are often decomposed into their constituent spectra to quantify the secondary structure of peptides or proteins but the estimation of the secondary structure content fails when light scattering leads to spectral distortion. If peptide-induced liposome self-association occurs, subtracting control curves cannot correct for this. We show that if the cause of the light scattering is independent from the peptide structural changes, the CD spectra can be corrected using principal component analysis (PCA). The light scattering itself is analysed and found to be in good agreement with backscattering experiments. This method therefore allows to simultaneously follow structural changes related to peptide-liposome binding as well as peptide induced liposome self-association. We apply this method to study the structural changes and liposome binding of vectofusin-1, a transduction enhancing peptide used in lentivirus based gene therapy. Vectofusin-1 binds to POPC/POPS liposomes, causing a reversal of the negative liposome charge at high peptide concentrations. When the peptide charges exactly neutralise the lipid charges on both leaflets reversible liposome self-association occurs. These results are in good agreement with biological observations and provide further insight into the conditions required for efficent transduction enhancement. PMID:28004740

  20. X-ray scattering study of the interplay between magnetism and structure in CeSb

    CERN Document Server

    McMorrow, D F; Lebech, B; Soerensen, S A; Christensen, M J; Vogt, O

    1997-01-01

    The chemical and magnetic structures of CeSb have been investigated using high-resolution x-ray scattering techniques. Experiments performed in the non-resonant regime (x-ray energy of E = 9.4 keV) showed that when the sample was cooled below its Neel temperature of T sub N approx. 16.5 K, peaks appeared with commensurate wave vectors q. From their polarization and wave-vector dependence, the peaks are deduced to arise mainly from a periodic lattice distortion. In the resonant regime, when the x-ray energy was tuned to the L absorption edges of Ce, weak, resonantly enhanced magnetic scattering was observed at the L sub t sub t edge (E = 6.164 keV), with no scattering found at either L sub t or L sub t sub t sub t. Of the six possible zero-field commensurate magnetic structures reported in earlier neutron experiments, we found the phases with q sub m =2/3 and 4/7 only, with the domain that has moments perpendicular to the surface absent. Neutron scattering experiments on the same single crystal confirm that th...

  1. Diffusion of helium in carbonates: Effects of mineral structure and composition

    Science.gov (United States)

    Cherniak, D. J.; Amidon, W.; Hobbs, D.; Watson, E. B.

    2015-09-01

    Diffusion of helium has been characterized in four carbonates: calcite, dolomite, magnesite, and aragonite. Cleaved or oriented and polished slabs of carbonate minerals were implanted with 100 keV or 3 MeV 3He at doses of 5 × 10153He/cm2 and 1 × 10163He/cm2, respectively, and annealed in 1-atm furnaces. 3He distributions following diffusion experiments were measured with nuclear reaction analysis using the reaction 3He(d,p)4He. Our results show that He diffusion in calcite is the fastest among the carbonates studied, with diffusivities progressively slower in magnesite, dolomite and aragonite. In the case of the isomorphic trigonal carbonates (calcite, dolomite, magnesite), these observations are broadly consistent with predictions based on lattice characteristics such as unit cell size and inter-atomic apertures, with diffusivities faster in more open carbonate structures. Dolomite is an exception to this trend, suggesting that its unique ordered R3 crystal structure may play a role in slowing helium diffusion. Diffusion is anisotropic in all of the trigonal carbonates, and is typically slowest for diffusion along the c direction, and faster for diffusion normal to c and in directions normal to cleavage surfaces. The patterns of diffusional anisotropy are predicted to first order by the size of limiting inter-atomic apertures along any given crystallographic direction, providing additional support to the concept of modeling crystal lattices as "molecular sieves" with regard to diffusion of helium. When the effects of anisotropy and diffusion domain size are considered, our results are in reasonable agreement with previous results from bulk degassing of natural samples. Modeling of helium diffusive loss shows that calcite and magnesite are unlikely to be retentive of helium on the Earth's surface for typical grain sizes and time/temperature conditions. Dolomite and aragonite may be retentive under cooler conditions, but because helium retention is strongly

  2. The role of the organization structure in the diffusion of innovations.

    Directory of Open Access Journals (Sweden)

    Carlos Sáenz-Royo

    Full Text Available Diffusion and adoption of innovations is a topic of increasing interest in economics, market research, and sociology. In this paper we investigate, through an agent based model, the dynamics of adoption of innovative proposals in different kinds of structures. We show that community structure plays an important role on the innovation diffusion, so that proposals are more likely to be accepted in homogeneous organizations. In addition, we show that the learning process of innovative technologies enhances their diffusion, thus resulting in an important ingredient when heterogeneous networks are considered. We also show that social pressure blocks the adoption process whatever the structure of the organization. These results may help to understand how different factors influence the diffusion and acceptance of innovative proposals in different communities and organizations.

  3. Robust, high-throughput solution structural analyses by small angle X-ray scattering (SAXS)

    Energy Technology Data Exchange (ETDEWEB)

    Hura, Greg L.; Menon, Angeli L.; Hammel, Michal; Rambo, Robert P.; Poole II, Farris L.; Tsutakawa, Susan E.; Jenney Jr, Francis E.; Classen, Scott; Frankel, Kenneth A.; Hopkins, Robert C.; Yang, Sungjae; Scott, Joseph W.; Dillard, Bret D.; Adams, Michael W. W.; Tainer, John A.

    2009-07-20

    We present an efficient pipeline enabling high-throughput analysis of protein structure in solution with small angle X-ray scattering (SAXS). Our SAXS pipeline combines automated sample handling of microliter volumes, temperature and anaerobic control, rapid data collection and data analysis, and couples structural analysis with automated archiving. We subjected 50 representative proteins, mostly from Pyrococcus furiosus, to this pipeline and found that 30 were multimeric structures in solution. SAXS analysis allowed us to distinguish aggregated and unfolded proteins, define global structural parameters and oligomeric states for most samples, identify shapes and similar structures for 25 unknown structures, and determine envelopes for 41 proteins. We believe that high-throughput SAXS is an enabling technology that may change the way that structural genomics research is done.

  4. Super-resolution in solution X-ray scattering and its applications to structural systems biology.

    Science.gov (United States)

    Rambo, Robert P; Tainer, John A

    2013-01-01

    Small-angle X-ray scattering (SAXS) is a robust technique for the comprehensive structural characterizations of biological macromolecular complexes in solution. Here, we present a coherent synthesis of SAXS theory and experiment with a focus on analytical tools for accurate, objective, and high-throughput investigations. Perceived SAXS limitations are considered in light of its origins, and we present current methods that extend SAXS data analysis to the super-resolution regime. In particular, we discuss hybrid structural methods, illustrating the role of SAXS in structure refinement with NMR and ensemble refinement with single-molecule FRET. High-throughput genomics and proteomics are far outpacing macromolecular structure determinations, creating information gaps between the plethora of newly identified genes, known structures, and the structure-function relationship in the underlying biological networks. SAXS can bridge these information gaps by providing a reliable, high-throughput structural characterization of macromolecular complexes under physiological conditions.

  5. Complementary aspects of diffusion imaging and fMRI; I: structure and function.

    Science.gov (United States)

    Mulkern, Robert V; Davis, Peter E; Haker, Steven J; Estepar, Raul San Jose; Panych, Lawrence P; Maier, Stephan E; Rivkin, Michael J

    2006-05-01

    Studying the intersection of brain structure and function is an important aspect of modern neuroscience. The development of magnetic resonance imaging (MRI) over the last 25 years has provided new and powerful tools for the study of brain structure and function. Two tools in particular, diffusion imaging and functional MRI (fMRI), are playing increasingly important roles in elucidating the complementary aspects of brain structure and function. In this work, we review basic technical features of diffusion imaging and fMRI for studying the integrity of white matter structural components and for determining the location and extent of cortical activation in gray matter, respectively. We then review a growing body of literature in which the complementary aspects of diffusion imaging and fMRI, applied as separate examinations but analyzed in tandem, have been exploited to enhance our knowledge of brain structure and function.

  6. Structural defects in SiC single crystals studied by small-angle neutron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Nasir Khan, M. [Physics Research Division, PINSTECH, P.O. Nilore, Islamabad (Pakistan)]. E-mail: nasir@pinstech.org.pk; Bashir, J. [Physics Research Division, PINSTECH, P.O. Nilore, Islamabad (Pakistan); Seong, Baek-Seok [Korea Atomic Energy Research Institute, P.O. Box 105, Yusong, Daejeon 305-600 (Korea, Republic of); Lee, Chang-Hee [Korea Atomic Energy Research Institute, P.O. Box 105, Yusong, Daejeon 305-600 (Korea, Republic of)

    2006-11-15

    Growth-induced structural defects such as hollow core super screw dislocation known as micropipes in silicon carbide single crystals grown by sublimation method are investigated. Electron microscopy as well as small-angle neutron scattering (SANS) techniques were used to resolve these defects in sizes. For SANS, scattering signals in the momentum transfer range 0.1-2.2 nm{sup -1} were recorded. This corresponds for the periodic structure to length scale from 3 to 60 nm approximately. Isotropic patterns were analyzed using spherical-shell model. The analyses showed that the small spherical defects are within a volume fraction less than 5% in these crystals. The change in the growth process such as growth rate and atmosphere showed no significant change in the sizes of these defects but has an effect on the distribution of these defects.

  7. Solution X-ray scattering (S/WAXS) and structure formation in protein dynamics

    CERN Document Server

    Nasedkin, Alexandr; Niemi, Antti J; Peng, Xubiao

    2016-01-01

    We propose to develop mean field theory in combination with Glauber algorithm, to model and interpret protein dynamics and structure formation in small to wide angle x-ray scattering (S/WAXS) experiments. We develop the methodology by analysing the Engrailed homeodomain protein as an example. We demonstrate how to interpret S/WAXS data with a good precision and over an extended temperature range. We explain experimentally observed phenomena in terms of protein phase structure, and we make predictions for future experiments how the scattering data behaves at different ambient temperature values. We conclude that a combination of mean field theory with Glauber algorithm has the potential to develop into a highly accurate, computationally effective and predictive tool for analysing S/WAXS data. Finally, we compare our results with those obtained previously in an all-atom molecular dynamics simulation.

  8. Neutron scattering and nuclear magnetic resonance spectroscopy structural studies of protein-DNA complexes

    Energy Technology Data Exchange (ETDEWEB)

    Bradbury, E.M.; Catasti, P.; Chen, X.; Gupta, G.; Imai, B.; Moyzis, R.; Ratliff, R.; Velupillai, S.

    1996-03-01

    This is the final report of a one-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The project sought to employ advanced biophysical measurements to study the structure of nucleosomes and the structure of origins of DNA replication. The fundamental repeating unit of human chromosomes is the nucleosome, which contains about 200 base pairs of DNA and 9 histone proteins. Genome replication is strictly associated with the reversible acetylations of histones that unfold chromatin to allow access of factors to origins of DNA replications. The authors have studied two major structural problems: (1) the effects of histone acetylation on nucleosome structure, and (2) the structure of DNA origins of replication. They have recently completed preliminary X-ray scattering experiments at Stanford on positioned nucleosomes with defined DNA sequence and length, histone composition and level of acetylation. These experiments have shown that lengths of the DNA and acetylations of the histone H4 result in nucleosome structural changes. To understand internucleosomal interactions and the roles of histone H1 the authors have made preliminary x-ray scatter studies on native dinucleosomes that have demonstrated the feasibility of these experiments. The DNA sequence of the yeast replication origin has been synthesized for structure determination by multi-dimensional NMR spectroscopy.

  9. Structural Studies of Bleached Melanin by Synchrotron Small-angle X-ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Littrell, Kenneth C.; Gallas, James M.; Zajac, Gerry W.; Thiyagarajan, Pappannan

    2003-01-01

    Small-angle X-ray scattering was used to measure the effects of chemical bleaching on the size and morphology of tyrosine-derived synthetic melanin dispersed in aqueous media. The average size as measured by the radius of gyration of the melanin particles in solution, at neutral to mildly basic pH, decreases from 16.5 to 12.5 angstroms with increased bleaching. The melanin particles exhibit scattering characteristic of sheet-like structures with a thickness of approximately 11 angstroms at all but the highest levels of bleaching. The scattering data are well described by the form factor for scattering from a pancake-like circular cylinder. These data are consistent with the hypothesis that unbleached melanin, at neutral to mildly basic pH, is a planar aggregate of 6- to 10-nm-sized melanin protomolecules, hydrogen bonded through their quinone and phenolic perimeters. The observed decrease in melanin particle size with increased bleaching is interpreted as evidence for deaggregation, most probably the result of oxidative disruption of hydrogen bonds and an increase in the number of charged, carboxylic acid groups, whereby the melanin aggregates disassociate into units composed of decreasing numbers of protomolecules.

  10. Diffuse X-ray scattering study of sublattice ordering among group III atoms in In[sub 0. 5]Ga[sub 0. 5]P and In[sub 0. 5]Al[sub 0. 5]P

    Energy Technology Data Exchange (ETDEWEB)

    Yasuami, S. (Toshiba Corp., Kawasaki (Japan). Research and Development Center); Koga, K.; Ohshima, K. (Tsukuba Univ. (Japan). Inst. of Applied Physics); Sasaki, S.; Ando, M. (Photon Factory, National Lab. for High Energy Physics, Oho, Tsukuba (Japan))

    1992-08-01

    The intensity of superstructure reflections and associated diffuse scattering from In[sub 0.5]Ga[sub 0.5]P and In[sub 0.5]Al[sub 0.5]P epitaxic layers grown on (001) GaAs substrates was mapped in reciprocal space. The Warren-Cowley short-range-order parameters were obtained through the usual process for evaluating Fourier coefficients. Varying values for the correlation length in different directions indicate how group III atoms stack up in ordered states. The resultant structure with long-range order confirms the hypothesis made on the basis of electron diffraction and high-resolution transmission electron microscopy studies. (orig.).

  11. Structural characterisation of oxygen diffusion hardened alpha-tantalum PVD-coatings on titanium.

    Science.gov (United States)

    Hertl, C; Koll, L; Schmitz, T; Werner, E; Gbureck, U

    2014-08-01

    Titanium substrates were coated with tantalum layers of 5 μm thickness using physical vapour deposition (PVD). The tantalum layers showed a (110)-preferred orientation. The coated samples were hardened by oxygen diffusion. Using X-ray diffraction the crystallographic structure of the tantalum coatings was characterised, comparing untreated and diffusion hardened specimen conditions. Oxygen depth profiles were determined by glow discharge spectrometry. The hardening effect of the heat treatment was examined by Vickers microhardness testing. The increase of surface hardness caused by oxygen diffusion was at least 50%. Copyright © 2014 Elsevier B.V. All rights reserved.

  12. Cross-diffusion induced Turing patterns in a sex-structured predator-prey model

    DEFF Research Database (Denmark)

    Liu, J.; Zhou, H.; Zhang, Lai

    2012-01-01

    In this paper, we consider a sex-structured predator-prey model with strongly coupled nonlinear reaction diffusion. Using the Lyapunov functional and Leray-Schauder degree theory, the existence and stability of both homogenous and heterogenous steady-states are investigated. Our results demonstrate...... that the unique homogenous steady-state is locally asymptotically stable for the associated ODE system and PDE system with self-diffusion. With the presence of the cross-diffusion, the homogeneous equilibrium is destabilized, and a heterogenous steady-state emerges as a consequence. In addition, the conditions...... guaranteeing the emergence of Turing patterns are derived....

  13. Insights into Surface Interactions between Metal Organic Frameworks and Gases during Transient Adsorption and Diffusion by In-Situ Small Angle X-ray Scattering

    Directory of Open Access Journals (Sweden)

    Ludovic F. Dumée

    2016-09-01

    Full Text Available The fabrication of molecular gas sieving materials with specific affinities for a single gas species and able to store large quantities of materials at a low or atmospheric pressure is desperately required to reduce the adverse effects of coal and oil usage in carbon capture. Fundamental understanding of the dynamic adsorption of gas, the diffusion mechanisms across thin film membranes, and the impact of interfaces play a vital role in developing these materials. In this work, single gas permeation tests across micro-porous membrane materials, based on metal organic framework crystals grown on the surface of carbon nanotubes (ZiF-8@CNT, were performed for the first time in-situ at the Australian Synchrotron on the small angle X-ray scattering beamline in order to reveal molecular sieving mechanisms and gas adsorption within the material. The results show that specific chemi-sorption of CO2 across the ZiF-8 crystal lattices affected the morphology and unit cell parameters, while the sieving of other noble or noble like gases across the ZiF-8@CNT membranes was found to largely follow Knudsen diffusion. This work demonstrates for the first time a novel and effective technique to assess molecular diffusion at the nano-scale across sub-nano-porous materials by probing molecular flexibility across crystal lattice and single cell units.

  14. Golgi proteins in circulating human platelets are distributed across non-stacked, scattered structures.

    Science.gov (United States)

    Yadav, Shilpi; Williamson, Jonathan K; Aronova, Maria A; Prince, Andrew A; Pokrovskaya, Irina D; Leapman, Richard D; Storrie, Brian

    2017-06-01

    Platelets are small, anucleate cell fragments that are central to hemostasis, thrombosis, and inflammation. They are derived from megakaryocytes from which they inherit their organelles. As platelets can synthesize proteins and contain many of the enzymes of the secretory pathway, one might expect all mature human platelets to contain a stacked Golgi apparatus, the central organelle of the secretory pathway. By thin section electron microscopy, stacked membranes resembling the stacked Golgi compartment in megakaryocytes and other nucleated cells can be detected in both proplatelets and platelets. However, the incidence of such structures is low and whether each and every platelet contains such a structure remains an open question. By single-label, immunofluorescence staining, Golgi glycosyltransferases are found within each platelet and map to scattered structures. Whether these structures are positive for marker proteins from multiple Golgi subcompartments remains unknown. Here, we have applied state-of-the-art techniques to probe the organization state of the Golgi apparatus in resting human platelets. By the whole cell volume technique of serial-block-face scanning electron microscopy (SBF-SEM), we failed to observe stacked, Golgi-like structures in any of the 65 platelets scored. When antibodies directed against Golgi proteins were tested against HeLa cells, labeling was restricted to an elongated juxtanuclear ribbon characteristic of a stacked Golgi apparatus. By multi-label immunofluorescence microscopy, we found that each and every resting human platelet was positive for cis, trans, and trans Golgi network (TGN) proteins. However, in each case, the proteins were found in small puncta scattered about the platelet. At the resolution of deconvolved, widefield fluorescence microscopy, these proteins had limited tendency to map adjacent to one another. When the results of 3D structured illumination microscopy (3D SIM), a super resolution technique, were scored

  15. Fine structure at the diffusion welded interface of Fe3Al/Q235 ...

    Indian Academy of Sciences (India)

    The interface of Fe3Al/Q235 dissimilar materials joint, which was made by vacuum diffusion welding, combines excellently. There are Fe3Al, FeAl ... All phases are present in sub-grain structure level and there is no obvious brittle phases or micro-defects such as pores and cracks at the interface of Fe3Al/Q235 diffusion joint.

  16. Structural evaluation of an amyloid fibril model using small-angle x-ray scattering

    Science.gov (United States)

    Dahal, Eshan; Choi, Mina; Alam, Nadia; Bhirde, Ashwinkumar A.; Beaucage, Serge L.; Badano, Aldo

    2017-08-01

    Amyloid fibrils are highly structured protein aggregates associated with a wide range of diseases including Alzheimer’s and Parkinson’s. We report a structural investigation of an amyloid fibril model prepared from a commonly used plasma protein (bovine serum albumin (BSA)) using small-angle x-ray scattering (SAXS) technique. As a reference, the size estimates from SAXS are compared to dynamic light scattering (DLS) data and the presence of amyloid-like fibrils is confirmed using Congo red absorbance assay. Our SAXS results consistently show the structural transformation of BSA from spheroid to rod-like elongated structures during the fibril formation process. We observe the elongation of fibrils over two months with fibril length growing from 35.9  ±  3.0 nm to 51.5  ±  2.1 nm. Structurally metastable fibrils with distinct SAXS profiles have been identified. As proof of concept, we demonstrate the use of such distinct SAXS profiles to detect fibrils in the mixture solutions of two species by estimating their volume fractions. This easily detectable and well-characterized amyloid fibril model from BSA can be readily used as a control or standard reference to further investigate SAXS applications in the detection of structurally diverse amyloid fibrils associated with protein aggregation diseases.

  17. Diffusion of ultrasound in concrete.

    Science.gov (United States)

    Anugonda, P; Wiehn, J S; Turner, J A

    2001-10-01

    The propagation and scattering of ultrasound in concrete is discussed. The heterogeneous composition of concrete causes the ultrasound to scatter considerably. In the limit of many scattering events, the ultrasonic energy density in circular cylinders of concrete is shown to evolve in accordance with a one-dimensional diffusion equation. The ultrasonic diffusivity and dissipation are measured experimentally over the frequency range of 100-900 kHz. Theoretical descriptions of the diffusivity are in accord with the experimental values. Such frequencies are well above typical frequencies used for concrete inspection. Thus, it is anticipated that the use of these higher frequencies will result in new techniques for characterizing material properties and damage in concrete structures.

  18. Structure of PEP-PEO block copolymer micelles: Exploiting the complementarity of small-angle X-ray scattering and static light scattering

    DEFF Research Database (Denmark)

    Jensen, Grethe Vestergaard; Shi, Qing; Hernansanz, María J.

    2011-01-01

    . The present work shows that the same information can be obtained by combining static light scattering (SLS) and small-angle X-ray scattering (SAXS), which provide information on, respectively, large and short length scales. Micelles of a series of block copolymers of poly(ethylene propylene...... contrasts of the two components are very different, allowing for resolution of the internal micelle structure. A core-shell model with a PEP core and PEO corona is fitted simultaneously to the SAXS and SLS data using the different contrasts of the two blocks for each technique. With increasing PEO molecular...

  19. Investigation of nanoscale structures by small-angle X-ray scattering in a radiochromic dosimeter

    DEFF Research Database (Denmark)

    Skyt, Peter Sandegaard; Jensen, Grethe Vestergaard; Wahlstedt, Isak Hannes

    2014-01-01

    This study examines the nanoscale structures in a radiochromic dosimeter that was based on leuco-malachite-green dye and the surfactant sodium dodecyl sulfate (SDS) suspended in a gelatin matrix. Small-angle X-ray scattering was used to investigate the structures of a range of compositions...... of the dosimeter. When omitting gelatin, ellipsoidal micelles of SDS were formed with a core radius near 15 Å, an eccentricity of 1.6, and a head-group shell thickness near 7 Å. Gelatin significantly changed the micelles to a cylindrical shape with around three times lower core radius and four times larger shell...

  20. Formal selection rules for Brillouin scattering in integrated waveguides and structured fibers

    CERN Document Server

    Wolff, C; Poulton, C G

    2014-01-01

    We derive formal selection rules for Stimulated Brillouin Scattering (SBS) in structured waveguides. Using a group-theoretical approach, we show how the waveguide symmetry determines which optical and acoustic modes interact for both forward and backward SBS. We present a general framework for determining this interaction and give important examples for SBS in waveguides with rectangular, triangular and hexagonal symmetry. The important role played by degeneracy of the optical modes is illustrated. These selection rules are important for SBS-based device design and for a full understanding the physics of SBS in structured waveguides.

  1. X-ray scattering study of the interplay between magnetism and structure in CeSb

    DEFF Research Database (Denmark)

    McMorrow, Desmond Francis; Lussier, J.-G.; Lebech, Bente

    1997-01-01

    The chemical and magnetic structures of CeSb have been investigated using high-resolution x-ray scattering techniques. Experiments performed in the non-resonant regime (x-ray energy of E = 9.4 keV) showed that when the sample was cooled below its Neel temperature of T-N approximate to 16.5 K, peaks...... appeared with commensurate wave vectors q. From their polarization and wave-vector dependence, the peaks are deduced to arise mainly from a periodic lattice distortion. In the resonant regime, when the x-ray energy was tuned to the L absorption edges of Ce, weak, resonantly enhanced magnetic scattering...... was observed at the L(II) edge (E = 6.164 keV), with no scattering found at either L(I) or L(III) Of the six possible zero-field commensurate magnetic structures reported in earlier neutron experiments, we found the phases with q(m) = 2/3 and 4/7 only, with the domain that has moments perpendicular...

  2. Metamaterial-based theoretical description of light scattering by metallic nano-hole array structures

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Mahi R. [Department of Physics and Astronomy, University of Western Ontario, London N6A 3K7 (Canada); Najiminaini, Mohamadreza; Carson, Jeffrey J. L. [Lawson Health Research Institute, St. Joseph' s Health Care, 268 Grosvenor Street, London N6A 4V2 (Canada); Department of Medical Biophysics, University of Western Ontario, London N6A 3K7 (Canada); Balakrishnan, Shankar [Department of Physics and Astronomy, University of Western Ontario, London N6A 3K7 (Canada); Lawson Health Research Institute, St. Joseph' s Health Care, 268 Grosvenor Street, London N6A 4V2 (Canada); Department of Medical Biophysics, University of Western Ontario, London N6A 3K7 (Canada)

    2015-05-14

    We have experimentally and theoretically investigated the light-matter interaction in metallic nano-hole array structures. The scattering cross section spectrum was measured for three samples each having a unique nano-hole array radius and periodicity. Each measured spectrum had several peaks due to surface plasmon polaritons. The dispersion relation and the effective dielectric constant of the structure were calculated using transmission line theory and Bloch's theorem. Using the effective dielectric constant and the transfer matrix method, the surface plasmon polariton energies were calculated and found to be quantized. Using these quantized energies, a Hamiltonian for the surface plasmon polaritons was written in the second quantized form. Working with the Hamiltonian, a theory of scattering cross section was developed based on the quantum scattering theory and Green's function method. For both theory and experiment, the location of the surface plasmon polariton spectral peaks was dependant on the array periodicity and radii of the nano-holes. Good agreement was observed between the experimental and theoretical results. It is proposed that the newly developed theory can be used to facilitate optimization of nanosensors for medical and engineering applications.

  3. Structural Characterization of Polymers of Intrinsic Microporosity Using X-ray Scattering Methods

    Science.gov (United States)

    McDermott, Amanda; Chaukura, Nhamo; Mason, Christopher; Budd, Peter; Msayib, Kadum; Carta, Mariolino; Ghanem, Bader; McKeown, Neil; Runt, James

    2010-03-01

    Polymers of intrinsic microporosity (PIMs) are a novel class of materials with a large inner surface area and large free volume, which make them suitable for hydrogen adsorption. In addition, they exhibit a combination of high permeability and high selectivity useful for filtration applications. A series of polymers with high glass transition temperatures based on PIM-1, a polybenzodioxane with a ladder-type structure combining stiff segments with sites of contortion, as well as a series of triptycene-based network PIMs, are characterized via small-angle and wide-angle X-ray scattering. Scattering features, including multiple amorphous halos and a characteristic power-law slope, are related to polymer chemistry, hydrogen adsorption performance, and gas permeation parameters.

  4. In vivo characterization of structural and optical properties of human skin by combined photothermal radiometry and diffuse reflectance spectroscopy

    Science.gov (United States)

    Verdel, Nina; Marin, Ana; Vidovič, Luka; Milanič, Matija; Majaron, Boris

    2017-02-01

    We have combined two optical techniques to enable simultaneous assessment of structure and composition of human skin in vivo: Pulsed photothermal radiometry (PPTR), which involves measurements of transient dynamics in midinfrared emission from sample surface after exposure to a light pulse, and diffuse reflectance spectroscopy (DRS) in visible part of the spectrum. Namely, while PPTR is highly sensitive to depth distribution of selected absorbers, DRS provides spectral information and thus enables differentiation between various chromophores. The accuracy and robustness of the inverse analysis is thus considerably improved compared to use of either technique on its own. Our analysis approach is simultaneous multi-dimensional fitting of the measured PPTR signals and DRS with predictions from a numerical model of light-tissue interaction (a.k.a. inverse Monte Carlo). By using a three-layer skin model (epidermis, dermis, and subcutis), we obtain a good match between the experimental and modeling data. However, dividing the dermis into two separate layers (i.e., papillary and reticular dermis) helps to bring all assessed parameter values within anatomically and physiologically plausible intervals. Both the quality of the fit and the assessed parameter values depend somewhat on the assumed scattering properties for skin, which vary in literature and likely depend on subject's age and gender, anatomical site, etc. In our preliminary experience, simultaneous fitting of the scattering properties is possible and leads to considerable improvement of the fit. The described approach may thus have a potential for simultaneous determination of absorption and scattering properties of human skin in vivo.

  5. Proceedings of the 182nd basic science seminar (The workshop on neutron structural biology ) 'New frontiers of structural biology advanced by solution scattering'

    Energy Technology Data Exchange (ETDEWEB)

    Fujiwara, Satoru (ed.) [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    2001-03-01

    182nd advanced science seminar (the workshop on neutron structural biology) was held in February 9-10, 2000 at Tokai. Thirty-six participants from universities, research institutes, and private companies took part in the workshop, and total of 24 lectures were given. This proceedings collects abstracts, the figures and tables, which the speakers used in their lectures. The proceedings contains two reviews from the point of view of x-ray and neutron scatterings, and six subjects (21 papers) including neutron and x-ray scattering in the era of structure genomics, structural changes detected with solution scattering, a new way in structural biology opened by neutron crystallography and neutron scattering, x-ray sources and detectors, simulation and solution scattering, and neutron sources and detectors. (Kazumata, Y.)

  6. Solution structure and excitation energy transfer in phycobiliproteins of Acaryochloris marina investigated by small angle scattering.

    Science.gov (United States)

    Golub, M; Combet, S; Wieland, D C F; Soloviov, D; Kuklin, A; Lokstein, H; Schmitt, F-J; Olliges, R; Hecht, M; Eckert, H-J; Pieper, J

    2017-04-01

    The structure of phycobiliproteins of the cyanobacterium Acaryochloris marina was investigated in buffer solution at physiological temperatures, i.e. under the same conditions applied in spectroscopic experiments, using small angle neutron scattering. The scattering data of intact phycobiliproteins in buffer solution containing phosphate can be well described using a cylindrical shape with a length of about 225Å and a diameter of approximately 100Å. This finding is qualitatively consistent with earlier electron microscopy studies reporting a rod-like shape of the phycobiliproteins with a length of about 250 (M. Chen et al., FEBS Letters 583, 2009, 2535) or 300Å (J. Marquart et al., FEBS Letters 410, 1997, 428). In contrast, phycobiliproteins dissolved in buffer lacking phosphate revealed a splitting of the rods into cylindrical subunits with a height of 28Å only, but also a pronounced sample aggregation. Complementary small angle neutron and X-ray scattering experiments on phycocyanin suggest that the cylindrical subunits may represent either trimeric phycocyanin or trimeric allophycocyanin. Our findings are in agreement with the assumption that a phycobiliprotein rod with a total height of about 225Å can accommodate seven trimeric phycocyanin subunits and one trimeric allophycocyanin subunit, each of which having a height of about 28Å. The structural information obtained by small angle neutron and X-ray scattering can be used to interpret variations in the low-energy region of the 4.5K absorption spectra of phycobiliproteins dissolved in buffer solutions containing and lacking phosphate, respectively. Copyright © 2017 Elsevier B.V. All rights reserved.

  7. Improved fitting of solution X-ray scattering data to macromolecular structures and structural ensembles by explicit water modeling.

    Science.gov (United States)

    Grishaev, Alexander; Guo, Liang; Irving, Thomas; Bax, Ad

    2010-11-10

    A new procedure, AXES, is introduced for fitting small-angle X-ray scattering (SAXS) data to macromolecular structures and ensembles of structures. By using explicit water models to account for the effect of solvent, and by restricting the adjustable fitting parameters to those that dominate experimental uncertainties, including sample/buffer rescaling, detector dark current, and, within a narrow range, hydration layer density, superior fits between experimental high resolution structures and SAXS data are obtained. AXES results are found to be more discriminating than standard Crysol fitting of SAXS data when evaluating poorly or incorrectly modeled protein structures. AXES results for ensembles of structures previously generated for ubiquitin show improved fits over fitting of the individual members of these ensembles, indicating these ensembles capture the dynamic behavior of proteins in solution.

  8. Recent Twists of the Wage Structure and Technology Diffusion

    OpenAIRE

    James D Adams

    1994-01-01

    This paper is an empirical study of the impact on U.S. wage structure of domestic technology, foreign technology, and import penetration. A model is presented which combines factor proportions theory with a version of growth theory. The model, which assumes two levels of skill, suggests that domestic technology raises both wages, while foreign technology, on a simple interpretation, lowers both. Trade at a constant technology, as usual, lowers the wage of that class of labor used intensively ...

  9. Local structure in ZrW2O8 from neutron total scattering

    Science.gov (United States)

    Tucker, Matthew G.; Keen, David A.; Evans, John S. O.; Dove, Martin T.

    2007-08-01

    The local structure of the low-temperature ordered phase of the negative thermal expansion (NTE) material ZrW2O8 has been investigated by reverse Monte Carlo (RMC) modelling of neutron total scattering data. The local structure is described using the instantaneous distributions of bond lengths and angles obtained from the RMC-derived models which are simultaneously consistent with the average crystal structure. These results, together with their variation with temperature, show that the majority of the mean squared displacements of the atoms are accounted for by rigid unit mode (RUM) motions of the ZrO6 octahedra and WO4 tetrahedra. The detailed structural description presented in this paper further supports the dominance of the basic RUM interpretation of NTE in ZrW2O8 where rigid ZrO6 and WO4 polyhedra are joined by flexible Zr-O-W linkages.

  10. General point dipole theory for periodic metasurfaces: magnetoelectric scattering lattices coupled to planar photonic structures.

    Science.gov (United States)

    Chen, Yuntian; Zhang, Yan; Femius Koenderink, A

    2017-09-04

    We study semi-analytically the light emission and absorption properties of arbitrary stratified photonic structures with embedded two-dimensional magnetoelectric point scattering lattices, as used in recent plasmon-enhanced LEDs and solar cells. By employing dyadic Green's function for the layered structure in combination with the Ewald lattice summation to deal with the particle lattice, we develop an efficient method to study the coupling between planar 2D scattering lattices of plasmonic, or metamaterial point particles, coupled to layered structures. Using the 'array scanning method' we deal with localized sources. Firstly, we apply our method to light emission enhancement of dipole emitters in slab waveguides, mediated by plasmonic lattices. We benchmark the array scanning method against a reciprocity-based approach to find that the calculated radiative rate enhancement in k-space below the light cone shows excellent agreement. Secondly, we apply our method to study absorption-enhancement in thin-film solar cells mediated by periodic Ag nanoparticle arrays. Lastly, we study the emission distribution in k-space of a coupled waveguide-lattice system. In particular, we explore the dark mode excitation on the plasmonic lattice using the so-called array scanning method. Our method could be useful for simulating a broad range of complex nanophotonic structures, i.e., metasurfaces, plasmon-enhanced light emitting systems and photovoltaics.

  11. Geography, structure, and evolution of diffusion and perfusion lesions in Diffusion and perfusion imaging Evaluation For Understanding Stroke Evolution (DEFUSE).

    Science.gov (United States)

    Olivot, Jean-Marc; Mlynash, Michael; Thijs, Vincent N; Purushotham, Archana; Kemp, Stephanie; Lansberg, Maarten G; Wechsler, Lawrence; Gold, Garry E; Bammer, Roland; Marks, Michael P; Albers, Gregory W

    2009-10-01

    The classical representation of acute ischemic lesions on MRI is a central diffusion-weighted imaging (DWI) lesion embedded in a perfusion-weighted imaging (PWI) lesion. We investigated spatial relationships between final infarcts and early DWI/PWI lesions before and after intravenous thrombolysis in the Diffusion and perfusion imaging Evaluation For Understanding Stroke Evolution (DEFUSE) study. Baseline and follow-up DWI and PWI lesions and 30-day fluid-attenuated inversion recovery scans of 32 patients were coregistered. Lesion geography was defined by the proportion of the DWI lesion superimposed by a Tmax (time when the residue function reaches its maximum) >4 seconds PWI lesion; Type 1: >50% overlap and Type 2: PWI lesion) versus multiple lesions. Lesion reversal was defined by the percentage of the baseline DWI or PWI lesion not superimposed by the early follow-up DWI or PWI lesion. Final infarct prediction was estimated by the proportion of the final infarct superimposed on the union of the DWI and PWI lesions. Single lesion structure with Type 1 geography was present in only 9 patients (28%) at baseline and 4 (12%) on early follow-up. In these patients, PWI and DWI lesions were more likely to correspond with the final infarcts. DWI reversal was greater among patients with Type 2 geography at baseline. Patients with multiple lesions and Type 2 geography at early follow-up were more likely to have early reperfusion. Before thrombolytic therapy in the 3- to 6-hour time window, Type 2 geography is predominant and is associated with DWI reversal. After thrombolysis, both Type 2 geography and multiple lesion structure are associated with reperfusion.

  12. An Application Programming Interface for Synthetic Snowflake Particle Structure and Scattering Data

    Science.gov (United States)

    Lammers, Matthew; Kuo, Kwo-Sen

    2017-01-01

    The work by Kuo and colleagues on growing synthetic snowflakes and calculating their single-scattering properties has demonstrated great potential to improve the retrievals of snowfall. To grant colleagues flexible and targeted access to their large collection of sizes and shapes at fifteen (15) microwave frequencies, we have developed a web-based Application Programming Interface (API) integrated with NASA Goddard's Precipitation Processing System (PPS) Group. It is our hope that the API will enable convenient programmatic utilization of the database. To help users better understand the API's capabilities, we have developed an interactive web interface called the OpenSSP API Query Builder, which implements an intuitive system of mechanisms for selecting shapes, sizes, and frequencies to generate queries, with which the API can then extract and return data from the database. The Query Builder also allows for the specification of normalized particle size distributions by setting pertinent parameters, with which the API can also return mean geometric and scattering properties for each size bin. Additionally, the Query Builder interface enables downloading of raw scattering and particle structure data packages. This presentation will describe some of the challenges and successes associated with developing such an API. Examples of its usage will be shown both through downloading output and pulling it into a spreadsheet, as well as querying the API programmatically and working with the output in code.

  13. The Molecular Structure of a Phosphatidylserine Bilayer Determined by Scattering and Molecular Dynamics Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Jianjun [University of South Florida, Tampa (USF); Cheng, Xiaolin [ORNL; Monticelli, Luca [Institut National de la Santé et de la Recherche Médicale (INSERM) and INTS, France; Heberle, Frederick A [ORNL; Kucerka, Norbert [Atomic Energy of Canada Limited (AECL), Canadian Neutron Beam Centre (CNBC) and Comenius University,; Tieleman, D. Peter [University of Calgary, ALberta, Canada; Katsaras, John [ORNL

    2014-01-01

    Phosphatidylserine (PS) lipids play essential roles in biological processes, including enzyme activation and apoptosis. We report on the molecular structure and atomic scale interactions of a fluid bilayer composed of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylserine (POPS). A scattering density profile model, aided by molecular dynamics (MD) simulations, was developed to jointly refine different contrast small-angle neutron and X-ray scattering data, which yielded a lipid area of 62.7 A2 at 25 C. MD simulations with POPS lipid area constrained at different values were also performed using all-atom and aliphatic united-atom models. The optimal simulated bilayer was obtained using a model-free comparison approach. Examination of the simulated bilayer, which agrees best with the experimental scattering data, reveals a preferential interaction between Na+ ions and the terminal serine and phosphate moieties. Long-range inter-lipid interactions were identified, primarily between the positively charged ammonium, and the negatively charged carboxylic and phosphate oxygens. The area compressibility modulus KA of the POPS bilayer was derived by quantifying lipid area as a function of surface tension from area-constrained MD simulations. It was found that POPS bilayers possess a much larger KA than that of neutral phosphatidylcholine lipid bilayers. We propose that the unique molecular features of POPS bilayers may play an important role in certain physiological functions.

  14. Diffuse Reflectance Spectroscopy of Hidden Objects, Part I: Interpretation of the Reflection-Absorption-Scattering Fractions in Near-Infrared (NIR) Spectra of Polyethylene Films.

    Science.gov (United States)

    Pomerantsev, Alexey L; Rodionova, Oxana Ye; Skvortsov, Alexej N

    2017-08-01

    Investigation of a sample covered by an interfering layer is required in many fields, e.g., for process control, biochemical analysis, and many other applications. This study is based on the analysis of spectra collected by near-infrared (NIR) diffuse reflectance spectroscopy. Each spectrum is a composition of a useful, target spectrum and a spectrum of an interfering layer. To recover the target spectrum, we suggest using a new phenomenological approach, which employs the multivariate curve resolution (MCR) method. In general terms, the problem is very complex. We start with a specific problem of analyzing a system, which consists of several layers of polyethylene (PE) film and underlayer samples with known spectral properties. To separate information originating from PE layers and the target, we modify the system versus both the number of the PE layers as well as the reflectance properties of the target sample. We consider that the interfering spectrum of the layer can be modeled using three components, which can be tentatively called transmission, absorption, and scattering contributions. The novelty of our approach is that we do not remove the reflectance and scattering effects from the spectra, but study them in detail aiming to use this information to recover the target spectrum.

  15. Diffusive, Structural, Optical, and Electrical Properties of Defects in Semiconductors

    CERN Multimedia

    Wagner, F E

    2002-01-01

    Electronic properties of semiconductors are extremely sensitive to defects and impurities that have localized electronic states with energy levels in the band gap of the semiconductor. Spectroscopic techniques like photoluminescence (PL), deep level transient spectroscopy (DLTS), or Hall effect, that are able to detect and characterize band gap states do not reveal direct information about their microscopic origin. To overcome this chemical "blindness", the present approach is to use radioactive isotopes as a tracer. Moreover, the recoil energies involved in $\\beta$ and $\\gamma$-decays can be used to create intrinsic isolated point defects (interstitials, vacancies) in a controlled way. A microscopic insight into the structure and the thermodynamic properties of complexes formed by interacting defects can be gained by detecting the hyperfine interaction between the nuclear moments of radioactive dopants and the electromagnetic fields present at the site of the radioactive nucleus. The understanding and the co...

  16. The dynamic duo: combining NMR and small angle scattering in structural biology.

    Science.gov (United States)

    Hennig, Janosch; Sattler, Michael

    2014-06-01

    Structural biology provides essential information for elucidating molecular mechanisms that underlie biological function. Advances in hardware, sample preparation, experimental methods, and computational approaches now enable structural analysis of protein complexes with increasing complexity that more closely represent biologically entities in the cellular environment. Integrated multidisciplinary approaches are required to overcome limitations of individual methods and take advantage of complementary aspects provided by different structural biology techniques. Although X-ray crystallography remains the method of choice for structural analysis of large complexes, crystallization of flexible systems is often difficult and does typically not provide insights into conformational dynamics present in solution. Nuclear magnetic resonance spectroscopy (NMR) is well-suited to study dynamics at picosecond to second time scales, and to map binding interfaces even of large systems at residue resolution but suffers from poor sensitivity with increasing molecular weight. Small angle scattering (SAS) methods provide low resolution information in solution and can characterize dynamics and conformational equilibria complementary to crystallography and NMR. The combination of NMR, crystallography, and SAS is, thus, very useful for analysis of the structure and conformational dynamics of (large) protein complexes in solution. In high molecular weight systems, where NMR data are often sparse, SAS provides additional structural information and can differentiate between NMR-derived models. Scattering data can also validate the solution conformation of a crystal structure and indicate the presence of conformational equilibria. Here, we review current state-of-the-art approaches for combining NMR, crystallography, and SAS data to characterize protein complexes in solution. © 2014 The Protein Society.

  17. Structural characterization of a polymer substituted fullerene (flagellene) by small angle neutron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Affholter, K.A.; Bunick, G.J.; Wignall, G.D. [Oak Ridge National Lab., TN (United States); Desimone, J.M.; Hunt, M.O. Jr.; Menceloglu, Y.Z.; Samulski, E.T. [North Carolina Univ., Chapel Hill, NC (United States). Dept. of Chemistry

    1994-12-31

    Small-angle neutron scattering (SANS) can structurally characterize fullerenes in solvents with strong SANS contrast (e.g. CS{sub 2}). Deuterated solvents (e.g. toluene-d{sub 8}) have a high scattering length density (SLD), which is close to that of C{sub 60} and C{sub 70} moieties. Hence, there is virtually no SANS contrast with the solvent and these particles are practically ``invisible`` in such media. On the other hand, the negative scattering length of hydrogen means that the SLD of H{sup 1}-containing materials is much lower, so they have strong contrast with toluene-d{sub 8}. Thus, SANS makes it possible to study the size and shapes of modified buckyballs such as the polymer-substituted fullerenes, or flagellenes. These consist of C{sub 60} cores to which 1-4 polystryene chains (with a molecular weight, MW {approx_equal} 2000) are attached. The extrapolated cross section at zero angle of scatter [d{Sigma}/d{Omega}(0)] is a function of the number of pendant chains, so SANS can be used to assess the number of ``arms`` which are covalently attached to the fullerene ``sphere.`` Close agreement ({plus_minus}4%) between measured and calculated values of d{Sigma}/d{Omega}(0) along with independent estimates of the radius of gyration (R{sub g}) and second virial coefficient (A{sub 2}) for a calibration linear polystyrene sample serves as a cross check on the validity of this methodology.

  18. Transmission X-ray scattering as a probe for complex liquid-surface structures.

    Science.gov (United States)

    Fukuto, Masafumi; Yang, Lin; Nykypanchuk, Dmytro; Kuzmenko, Ivan

    2016-03-01

    The need for functional materials calls for increasing complexity in self-assembly systems. As a result, the ability to probe both local structure and heterogeneities, such as phase-coexistence and domain morphologies, has become increasingly important to controlling self-assembly processes, including those at liquid surfaces. The traditional X-ray scattering methods for liquid surfaces, such as specular reflectivity and grazing-incidence diffraction, are not well suited to spatially resolving lateral heterogeneities due to large illuminated footprint. A possible alternative approach is to use scanning transmission X-ray scattering to simultaneously probe local intermolecular structures and heterogeneous domain morphologies on liquid surfaces. To test the feasibility of this approach, transmission small- and wide-angle X-ray scattering (TSAXS/TWAXS) studies of Langmuir films formed on water meniscus against a vertically immersed hydrophilic Si substrate were recently carried out. First-order diffraction rings were observed in TSAXS patterns from a monolayer of hexagonally packed gold nanoparticles and in TWAXS patterns from a monolayer of fluorinated fatty acids, both as a Langmuir monolayer on water meniscus and as a Langmuir-Blodgett monolayer on the substrate. The patterns taken at multiple spots have been analyzed to extract the shape of the meniscus surface and the ordered-monolayer coverage as a function of spot position. These results, together with continual improvement in the brightness and spot size of X-ray beams available at synchrotron facilities, support the possibility of using scanning-probe TSAXS/TWAXS to characterize heterogeneous structures at liquid surfaces.

  19. Transmission X-ray scattering as a probe for complex liquid-surface structures

    Energy Technology Data Exchange (ETDEWEB)

    Fukuto, Masafumi; Yang, Lin; Nykypanchuk, Dmytro; Kuzmenko, Ivan

    2016-01-28

    The need for functional materials calls for increasing complexity in self-assembly systems. As a result, the ability to probe both local structure and heterogeneities, such as phase-coexistence and domain morphologies, has become increasingly important to controlling self-assembly processes, including those at liquid surfaces. The traditional X-ray scattering methods for liquid surfaces, such as specular reflectivity and grazing-incidence diffraction, are not well suited to spatially resolving lateral heterogeneities due to large illuminated footprint. A possible alternative approach is to use scanning transmission X-ray scattering to simultaneously probe local intermolecular structures and heterogeneous domain morphologies on liquid surfaces. To test the feasibility of this approach, transmission small- and wide-angle X-ray scattering (TSAXS/TWAXS) studies of Langmuir films formed on water meniscus against a vertically immersed hydrophilic Si substrate were recently carried out. First-order diffraction rings were observed in TSAXS patterns from a monolayer of hexagonally packed gold nanoparticles and in TWAXS patterns from a monolayer of fluorinated fatty acids, both as a Langmuir monolayer on water meniscus and as a Langmuir–Blodgett monolayer on the substrate. The patterns taken at multiple spots have been analyzed to extract the shape of the meniscus surface and the ordered-monolayer coverage as a function of spot position. These results, together with continual improvement in the brightness and spot size of X-ray beams available at synchrotron facilities, support the possibility of using scanning-probe TSAXS/TWAXS to characterize heterogeneous structures at liquid surfaces.

  20. The structural evolution and diffusion during the chemical transformation from cobalt to cobalt phosphide nanoparticles

    KAUST Repository

    Ha, Don-Hyung

    2011-01-01

    We report the structural evolution and the diffusion processes which occur during the phase transformation of nanoparticles (NPs), ε-Co to Co 2P to CoP, from a reaction with tri-n-octylphosphine (TOP). Extended X-ray absorption fine structure (EXAFS) investigations were used to elucidate the changes in the local structure of cobalt atoms which occur as the chemical transformation progresses. The lack of long-range order, spread in interatomic distances, and overall increase in mean-square disorder compared with bulk structure reveal the decrease in the NP\\'s structural order compared with bulk structure, which contributes to their deviation from bulk-like behavior. Results from EXAFS show both the Co2P and CoP phases contain excess Co. Results from EXAFS, transmission electron microscopy, X-ray diffraction, and density functional theory calculations reveal that the inward diffusion of phosphorus is more favorable at the beginning of the transformation from ε-Co to Co2P by forming an amorphous Co-P shell, while retaining a crystalline cobalt core. When the major phase of the sample turns to Co 2P, the diffusion processes reverse and cobalt atom out-diffusion is favored, leaving a hollow void, characteristic of the nanoscale Kirkendall effect. For the transformation from Co2P to CoP theory predicts an outward diffusion of cobalt while the anion lattice remains intact. In real samples, however, the Co-rich nanoparticles continue Kirkendall hollowing. Knowledge about the transformation method and structural properties provides a means to tailor the synthesis and composition of the NPs to facilitate their use in applications. © 2011 The Royal Society of Chemistry.

  1. Helicity in proton–proton elastic scattering and the spin structure of the pomeron

    Directory of Open Access Journals (Sweden)

    Carlo Ewerz

    2016-12-01

    Full Text Available We discuss different models for the spin structure of the nonperturbative pomeron: scalar, vector, and rank-2 symmetric tensor. The ratio of single-helicity-flip to helicity-conserving amplitudes in polarised high-energy proton–proton elastic scattering, known as the complex r5 parameter, is calculated for these models. We compare our results to experimental data from the STAR experiment. We show that the spin-0 (scalar pomeron model is clearly excluded by the data, while the vector pomeron is inconsistent with the rules of quantum field theory. The tensor pomeron is found to be perfectly consistent with the STAR data.

  2. Nuclear dependence of structure functions in the shadowing region of deep inelastic scattering

    Energy Technology Data Exchange (ETDEWEB)

    Berger, E.L.; Qiu, Jianwei

    1988-07-27

    A discussion of nuclear shadowing in deep inelastic lepton scattering is presented. We show that the parton recombination model suggests that shadowing should begin to occur at larger values of Bjorken x as A increases. This expectation as well as that of weak dependence on Q/sup 2/, and the trend of the x dependence of the shadowing phenomenon are consistent with recent data. Shadowing at small x is combined with nuclear bound state effects, responsible for nuclear dependence at larger x, to provide description of the A dependence of the structure function for the entire range of x. 21 refs., 5 figs.

  3. The Structure of 12N using 11C + p resonance scattering

    Energy Technology Data Exchange (ETDEWEB)

    Perajarvi, K.; Chang, Bo Fu; Rogachev, G.V.; Chubarian, G.; Goldberg, V.Z.; Guo, Q.; Lee, D.; Moltz, D.M.; Powell, J.; Skorodumov,B.B.; Tabacaru, G.; Tang, X.D.; Tribble, R.E.; Brown, B.A.; Volya, A.; Cerny, Joseph

    2006-03-02

    The level structure of {sup 12}N has been investigated from 2.2 to 11.0 MeV in excitation energy using a {sup 11}C + p resonance interaction with thick targets and inverse kinematics. Excitation functions were fitted using an R-matrix approach. Sixteen levels in {sup 12}N were included in the analysis, several of them are new. Spin-parity assignments, excitation energies and widths are proposed for these levels. To fit the high energy part of the excitation function, imaginary phase shifts had to be added to the phase shifts generated by the hard sphere scattering.

  4. The pole structure of the unitary, crossing symmetric low energy $\\pi\\pi$ scattering amplitudes

    OpenAIRE

    Zhou, Z. Y.; Qin, G. Y.; Zhang, P.; Xiao, Z. G.; Zheng, H. Q.; Wu, N.

    2004-01-01

    The pole structure of the low energy $\\pi\\pi$ scattering amplitudes is studied using a proper chiral unitarization method combined with crossing symmetry and the low energy phase shift data. It is found that the $\\sigma$ pole position is at $M_\\sigma=470\\pm 50MeV$, $\\Gamma_\\sigma=570\\pm 50MeV$. The existence of the virtual state pole in the IJ=20 channel is reconfirmed. Various threshold parameters are estimated and are found in general in good agreement with the results obtained from the Roy...

  5. Light penetration structures the deep acoustic scattering layers in the global ocean

    DEFF Research Database (Denmark)

    Aksnes, Dag L.; Rostad, Anders; Kaartvedt, Stein

    2017-01-01

    The deep scattering layer (DSL) is a ubiquitous acoustic signature found across all oceans and arguably the dominant feature structuring the pelagic open ocean ecosystem. It is formed by mesopelagic fishes and pelagic invertebrates. The DSL animals are an important food source for marine megafauna...... distributions with hypoxic waters. In enhancing understanding of this phenomenon, our results should improve the ability to predict and model the dynamics of one of the largest animal biomass components on earth, with key roles in the oceanic biological carbon pump and food web....

  6. Review of interferometric spectroscopy of scattered light for the quantification of subdiffractional structure of biomaterials

    Science.gov (United States)

    Cherkezyan, Lusik; Zhang, Di; Subramanian, Hariharan; Capoglu, Ilker; Taflove, Allen; Backman, Vadim

    2017-03-01

    Optical microscopy is the staple technique in the examination of microscale material structure in basic science and applied research. Of particular importance to biology and medical research is the visualization and analysis of the weakly scattering biological cells and tissues. However, the resolution of optical microscopy is limited to ≥200 nm due to the fundamental diffraction limit of light. We review one distinct form of the spectroscopic microscopy (SM) method, which is founded in the analysis of the second-order spectral statistic of a wavelength-dependent bright-field far-zone reflected-light microscope image. This technique offers clear advantages for biomedical research by alleviating two notorious challenges of the optical evaluation of biomaterials: the diffraction limit of light and the lack of sensitivity to biological, optically transparent structures. Addressing the first issue, it has been shown that the spectroscopic content of a bright-field microscope image quantifies structural composition of samples at arbitrarily small length scales, limited by the signal-to-noise ratio of the detector, without necessarily resolving them. Addressing the second issue, SM utilizes a reference arm, sample arm interference scheme, which allows us to elevate the weak scattering signal from biomaterials above the instrument noise floor.

  7. Particle-scale structure in frozen colloidal suspensions from small-angle x-ray scattering

    KAUST Repository

    Spannuth, Melissa

    2011-02-01

    During directional solidification of the solvent in a colloidal suspension, the colloidal particles segregate from the growing solid, forming high-particle-density regions with structure on a hierarchy of length scales ranging from that of the particle-scale packing to the large-scale spacing between these regions. Previous work has concentrated mostly on the medium- to large-length scale structure, as it is the most accessible and thought to be more technologically relevant. However, the packing of the colloids at the particle scale is an important component not only in theoretical descriptions of the segregation process, but also to the utility of freeze-cast materials for new applications. Here we present the results of experiments in which we investigated this structure across a wide range of length scales using a combination of small-angle x-ray scattering and direct optical imaging. As expected, during freezing the particles were concentrated into regions between ice dendrites forming a microscopic pattern of high- and low-particle-density regions. X-ray scattering indicates that the particles in the high-density regions were so closely packed as to be touching. However, the arrangement of the particles does not conform to that predicted by standard interparticle pair potentials, suggesting that the particle packing induced by freezing differs from that formed during equilibrium densification processes. © 2011 American Physical Society.

  8. Small-angle x-ray scattering study of polymer structure: Carbosilane dendrimers in hexane solution

    Science.gov (United States)

    Shtykova, E. V.; Feigin, L. A.; Volkov, V. V.; Malakhova, Yu. N.; Streltsov, D. R.; Buzin, A. I.; Chvalun, S. N.; Katarzhanova, E. Yu.; Ignatieva, G. M.; Muzafarov, A. M.

    2016-09-01

    The three-dimensional organization of monodisperse hyper-branched macromolecules of regular structure—carbosilane dendrimers of zero, third, and sixth generations—has been studied by small-angle X-ray scattering (SAXS) in solution. The use of modern methods of SAXS data interpretation, including ab initio modeling, has made it possible to determine the internal architecture of the dendrimers in dependence of the generation number and the number of cyclosiloxane end groups (forming the shell of dendritic macromolecules) and show dendrimers to be spherical. The structural results give grounds to consider carbosilane dendrimers promising objects for forming crystals with subsequent structural analysis and determining their structure with high resolution, as well as for designing new materials to be used in various dendrimer-based technological applications.

  9. Micelle structural studies on oil solubilization by a small-angle neutron scattering

    Science.gov (United States)

    Putra, Edy Giri Rachman; Seong, Baek Seok; Ikram, Abarrul

    2009-02-01

    A small-angle neutron scattering (SANS) technique was applied to reveal the micelle structural changes. The micelle structural changes of 0.3 M sodium dodecyl sulfate (SDS) concentration by addition of various oil, i.e. n-hexane, n-octane, and n-decane up to 60% (v/v) have been investigated. It was found that the size, aggregation number and the structures of the micelles changed exhibiting that the effective charge on the micelle decreases with an addition of oil. There was a small increase in minor axis of micelle while the correlation peak shifted to a lower momentum transfer Q and then to higher Q by a further oil addition.

  10. Risk Assessment of Alzheimer's Disease using the Information Diffusion Model from Structural Magnetic Resonance Imaging.

    Science.gov (United States)

    Beheshti, Iman; Olya, Hossain G T; Demirel, Hasan

    2016-04-05

    Recently, automatic risk assessment methods have been a target for the detection of Alzheimer's disease (AD) risk. This study aims to develop an automatic computer-aided AD diagnosis technique for risk assessment of AD using information diffusion theory. Information diffusion is a fuzzy mathematics logic of set-value that is used for risk assessment of natural phenomena, which attaches fuzziness (uncertainty) and incompleteness. Data were obtained from voxel-based morphometry analysis of structural magnetic resonance imaging. The information diffusion model results revealed that the risk of AD increases with a reduction of the normalized gray matter ratio (p > 0.5, normalized gray matter ratio <40%). The information diffusion model results were evaluated by calculation of the correlation of two traditional risk assessments of AD, the Mini-Mental State Examination and the Clinical Dementia Rating. The correlation results revealed that the information diffusion model findings were in line with Mini-Mental State Examination and Clinical Dementia Rating results. Application of information diffusion model contributes to the computerization of risk assessment of AD, which has a practical implication for the early detection of AD.

  11. Surface self-diffusion of adatom on Pt cluster with truncated octahedron structure

    Energy Technology Data Exchange (ETDEWEB)

    Yang Jianyu, E-mail: wuliyangjianyu@yahoo.com.c [Department of Maths and Physics, Hunan Institute of Engineering, Xiangtan 411104 (China); Hu Wangyu, E-mail: wangyuhu2001@yahoo.com.c [Department of Applied Physics, Hunan University, Changsha 410082 (China); Chen Shuguang [Department of Applied Physics, Hunan University, Changsha 410082 (China)

    2010-05-03

    Surface diffusion of single Pt adatom on Pt cluster with truncated octahedron structure is investigated through a combination of molecular dynamics and nudged elastic band method. Using an embedded atom method to describe the atomic interactions, the minimum energy paths are determined and the energy barriers for adatom diffusion across and along step are evaluated. The diffusion of adatom crossing step edge between {l_brace}111{r_brace} and {l_brace}100{r_brace} facets has a surprisingly low barrier of 0.03 eV, which is 0.12 eV lower than the barrier for adatom diffusion from {l_brace}111{r_brace} to neighboring {l_brace}111{r_brace} facet. Owing to the small barrier of adatom diffusion across the step edge between {l_brace}111{r_brace} and {l_brace}100{r_brace} facets, the diffusion of adatom along the step edge cannot occur. The molecular dynamics simulations at low temperatures also support these results. Our results show that mass transport will prefer step with {l_brace}100{r_brace} microfacet and the Pt clusters can have only {l_brace}111{r_brace} facets in epitaxial growth.

  12. Does pi -N scattering show the dip structure in the differential cross section at the FNAL energy region?

    CERN Document Server

    Susuki, Y

    1975-01-01

    The differential cross section of p-p elastic scattering in the CERN- ISR energy region has a marked diffraction-like dip at -t approximately 1.4 (GeV/c)/sup 2/. pi -N scattering has the dip-bump structure at low energies, but this feature fades as the energy goes higher, consistently with its non-Pomeron Regge-pole interpretation. At higher energies the Pomeron will dominate the scattering at small momentum transfer and the observed dip in p-p scattering is expected to be closely related with the nature of the Pomeron. Therefore, the authors examine whether or not pi -N scattering shows the dip at small momentum transfer, say, -t<5 (GeV/c)/sup 2/ in the FNAL region. (9 refs).

  13. X-ray Intermolecular Structure Factor (XISF): separation of intra- and intermolecular interactions from total X-ray scattering data

    Energy Technology Data Exchange (ETDEWEB)

    Mou, Q.; Benmore, C. J.; Yarger, J. L.

    2015-06-01

    XISF is a MATLAB program developed to separate intermolecular structure factors from total X-ray scattering structure factors for molecular liquids and amorphous solids. The program is built on a trust-region-reflective optimization routine with the r.m.s. deviations of atoms physically constrained. XISF has been optimized for performance and can separate intermolecular structure factors of complex molecules.

  14. Self-diffusion in the hexagonal structure of Zirconium and Hafnium: computer simulation studies

    Directory of Open Access Journals (Sweden)

    Diego Hernán Ruiz

    2005-12-01

    Full Text Available Self-diffusion by vacancy mechanism is studied in two metals of hexagonal close packed structure, namely Hafnium and Zirconium. Computer simulation techniques are used together with many-body potentials of the embedded atom type. Defect properties are calculated at 0 K by molecular static while molecular dynamic is used to explore a wide temperature range.

  15. Physics-Based Models of Brain Structure Connectivity Informed by Diffusion-Weighted Imaging

    Science.gov (United States)

    2012-02-01

    can cause a complex pattern of acceleration and deceleration of cortical and subcortical structures in the brain. Basic physics defines acceleration ...and Shull, W.H., 2003: Diffuse axonal injury in head trauma, J Head Trauma Rehabilitation, 18, 307-316. Sporns, O., Tononi, J., and Kotter , R

  16. Nanoscale diffusion, compound formation and phase transitions in Mo/Si multilayer structures

    NARCIS (Netherlands)

    de Rooij-Lohmann, V.I.T.A.; de Rooij-Lohmann, Véronique Irene Theresia Agnes

    2010-01-01

    This thesis addresses the physical and chemical phenomena in Mo/Si multilayer structures with and without B4C diffusion barrier layers at the interfaces, which are applied as extreme ultraviolet (EUV) / soft X-ray optics. Since interdiffusion and interlayer formation limit both the performance and

  17. Experimental study of the structure of laminar axisymmetric H2/air diffusion flames

    NARCIS (Netherlands)

    Toro, Vishal Vijay

    2006-01-01

    This thesis presents an experimental study of the structure of laminar axisymmetric coflow hydrogen diffusion flames. The motivation behind studying these flames is the current drive towards sustainable energy and strict pollution norms. In this regard, hydrogen as a fuel is one such candidate,

  18. Delineating Neural Structures of Developmental Human Brains with Diffusion Tensor Imaging

    Directory of Open Access Journals (Sweden)

    Hao Huang

    2010-01-01

    Full Text Available The human brain anatomy is characterized by dramatic structural changes during fetal development. It is extraordinarily complex and yet its origin is a simple tubular structure. Revealing detailed anatomy at different stages of brain development not only aids in understanding this highly ordered process, but also provides clues to detect abnormalities caused by genetic or environmental factors. However, anatomical studies of human brain development during the fetal period are surprisingly scarce and histology-based atlases have become available only recently. Diffusion tensor imaging (DTI measures water diffusion to delineate the underlying neural structures. The high contrasts derived from DTI can be used to establish the brain atlas. With DTI tractography, coherent neural structures, such as white matter tracts, can be three-dimensionally reconstructed. The primary eigenvector of the diffusion tensor can be further explored to characterize microstructures in the cerebral wall of the developmental brains. In this mini-review, the application of DTI in order to reveal the structures of developmental fetal brains has been reviewed in the above-mentioned aspects. The fetal brain DTI provides a unique insight for delineating the neural structures in both macroscopic and microscopic levels. The resultant DTI database will provide structural guidance for the developmental study of human fetal brains in basic neuroscience, and reference standards for diagnostic radiology of premature newborns.

  19. Small-angle x-ray scattering study on the structure of microcrystalline and nanofibrillated cellulose

    Science.gov (United States)

    Leppänen, Kirsi; Pirkkalainen, Kari; Penttilä, Paavo; Sievänen, Jenni; Kotelnikova, Nina; Serimaa, Ritva

    2010-10-01

    The effects of different solvents on the structure of microcrystalline and nanofibrillated cellulose (MCC, NFC) were studied using small-angle x-ray scattering (SAXS). MCC was immersed in water, ethanol, and acetone, and NFC was immersed only in water and ethanol, but studied also in the form of foam-like water-NFC-gel in wet, air-dried and re-wet states. The solvent affected the average chord length, which reveals the typical length scale of the structure of the sample: 2.4 ± 0.1 nm was obtained for MCC-water, 2.5 ± 0.1 nm for re-wet NFC-gel, 1.6 ± 0.1 nm for MCC-ethanol, 1.2 ± 0.1 nm for NFC-ethanol, and 1.3 ± 0.1 nm for MCC-acetone. The specific surface of cellulose increased strongly when MCC and NFC were immersed in the solvents compared to dry cellulose. The specific surface of cellulose was determined to be larger for NFC-water than MCC-water, and slightly larger for dry NFC powder than for dry MCC, which can be explained by the fact that the width of cellulose crystallites perpendicular to the cellulose chain direction was slightly larger in MCC than in NFC on the basis of wide-angle x-ray scattering results.

  20. Half-collision analysis of far-wing diffuse structure in Cs-Xe

    Science.gov (United States)

    Exton, R. J.; Hillard, M. E.; Lempert, W. R.

    1987-01-01

    Laser excitation in the far red wing of the second principal series doublet of Cs mixed with Xe revealed a diffuse structure associated with the 2P(3/2) component. The structure is thought to originate from a reflection type of spectrum between the weakly bound E 2Sigma(1/2) excited state and the X 2Sigma(1/2) repulsive ground state of CsXe.

  1. High energy deep inelastic scattering in perturbative quantum chromodynamics; Diffusion profondement inelastique a grande energie en chromodynamique quantique perturbative

    Energy Technology Data Exchange (ETDEWEB)

    Wallon, S.

    1996-09-17

    In this PhD thesis, we deal with high energy Deep Inelastic Scattering in Perturbative Quantum Chromodynamics (QCD). In this work, two main topics are emphasized: The first one deals with dynamics based on perturbative renormalization group, and on perturbative Regge approaches. We discuss the applicability of these predictions, the possibility of distinguishing them in the HERA experiments, and their unification. We prove that the perturbative Regge dynamic can be successfully applied to describe the HERA data. Different observables are proposed for distinguishing these two approaches. We show that these two predictions can be unified in a system of equations. In the second one, unitarization and saturation problems in high energy QCD are discussed. In the multi-Regge approach, equivalent to the integrable one-dimensional XXX Heisenberg spin chain, we develop methods in order to solve this system, based on the Functional Bethe Ansatz. In the dipole model context, we propose a new formulation of unitarity and saturation effects, using Wilson loops. (author). 120 refs.

  2. {pi}{pi} scattering and the meson resonance spectrum; La diffusion {pi}{pi} et le spectre des resonances mesiques

    Energy Technology Data Exchange (ETDEWEB)

    Kloet, W.M. [Department of Physics and Astronomy, Rutgers University, PO Box 849, Piscataway, New Jersey 08855-0849 (United States); Loiseau, B. [Theoretical Physics Division, Inst. de Physique Nucleaire, Paris-11 Univ., 91 - Orsay (France)

    1999-10-01

    A {pi}{pi}, K-bar K, and {rho}{rho}({omega}{omega}) fully coupled channel model is used to predict a lowest isospin S, P, D, F-wave phase shifts and inelasticities for elastic {pi}{pi} scattering from threshold to 2.0 GeV. As input the S-matrix is required to exhibit poles corresponding to the meson resonance table of the Particle Data Group. As expected, the {pi}{pi} inelasticity is very strongly related to the opening of the K-bar K channel near 1 GeV, and the opening of {rho}{rho}(4{pi}) and {omega}{omega}(6{pi}) channels in the 1.5 GeV region. The predictions of this model are compared to the various elastic {pi}{pi} {yields} {pi}{pi} amplitudes, that were obtained from analyses of {pi}{sup -} p {yields} {pi}{sup -}{pi}{sup +} n data. The role of the various resonances, in particular the glueball candidate f{sub 0}(1500) and the f{sub J}(1700) is investigated. (authors) 1 ref., 1 fig.

  3. Scaling laws of diffusion and time intermittency generated by coherent structures in atmospheric turbulence

    Directory of Open Access Journals (Sweden)

    P. Paradisi

    2012-02-01

    Full Text Available We investigate the time intermittency of turbulent transport associated with the birth-death of self-organized coherent structures in the atmospheric boundary layer. We apply a threshold analysis on the increments of turbulent fluctuations to extract sequences of rapid acceleration events, which is a marker of the transition between self-organized structures.

    The inter-event time distributions show a power-law decay ψ(τ ~ 1/τμ, with a strong dependence of the power-law index μ on the threshold.

    A recently developed method based on the application of event-driven walking rules to generate different diffusion processes is applied to the experimental event sequences. At variance with the power-law index μ estimated from the inter-event time distributions, the diffusion scaling H, defined by ⟨ X2⟩ ~ t2H, is independent from the threshold.

    From the analysis of the diffusion scaling it can also be inferred the presence of different kind of events, i.e. genuinely transition events and spurious events, which all contribute to the diffusion process but over different time scales. The great advantage of event-driven diffusion lies in the ability of separating different regimes of the scaling H. In fact, the greatest H, corresponding to the most anomalous diffusion process, emerges in the long time range, whereas the smallest H can be seen in the short time range if the time resolution of the data is sufficiently accurate.

    The estimated diffusion scaling is also robust under the change of the definition of turbulent fluctuations and, under the assumption of statistically independent events, it corresponds to a self-similar point process with a well-defined power-law index μD ~ 2.1, where D denotes that μD is derived from the diffusion scaling. We argue that

  4. Scaling laws of diffusion and time intermittency generated by coherent structures in atmospheric turbulence

    Science.gov (United States)

    Paradisi, P.; Cesari, R.; Donateo, A.; Contini, D.; Allegrini, P.

    2012-02-01

    We investigate the time intermittency of turbulent transport associated with the birth-death of self-organized coherent structures in the atmospheric boundary layer. We apply a threshold analysis on the increments of turbulent fluctuations to extract sequences of rapid acceleration events, which is a marker of the transition between self-organized structures. The inter-event time distributions show a power-law decay ψ(τ) ~ 1/τμ, with a strong dependence of the power-law index μ on the threshold. A recently developed method based on the application of event-driven walking rules to generate different diffusion processes is applied to the experimental event sequences. At variance with the power-law index μ estimated from the inter-event time distributions, the diffusion scaling H, defined by ⟨ X2⟩ ~ t2H, is independent from the threshold. From the analysis of the diffusion scaling it can also be inferred the presence of different kind of events, i.e. genuinely transition events and spurious events, which all contribute to the diffusion process but over different time scales. The great advantage of event-driven diffusion lies in the ability of separating different regimes of the scaling H. In fact, the greatest H, corresponding to the most anomalous diffusion process, emerges in the long time range, whereas the smallest H can be seen in the short time range if the time resolution of the data is sufficiently accurate. The estimated diffusion scaling is also robust under the change of the definition of turbulent fluctuations and, under the assumption of statistically independent events, it corresponds to a self-similar point process with a well-defined power-law index μD ~ 2.1, where D denotes that μD is derived from the diffusion scaling. We argue that this renewal point process can be associated to birth and death of coherent structures and to turbulent transport near the ground, where the contribution of turbulent coherent structures becomes dominant.

  5. Simultaneous registration of structural and diffusion weighed images using the full DTI information

    Science.gov (United States)

    Nadeau, Hélène; Chai, Yaqiong; Thompson, Paul; Leporé, Natasha

    2015-01-01

    Banks of high-quality, multimodal neurological images offer new possibilities for analyses based on brain registration. To take full advantage of these, current algorithms should be significantly enhanced. We present here a new brain registration method driven simultaneously by the structural intensity and the total diffusion information of MRI scans. Using the two modalities together allows for a better alignment of general and specific aspects of the anatomy. Furthermore, keeping the full diffusion tensor in the cost function, rather than only some of its scalar measures, will allow for a thorough statistical analysis once the Jacobian of the transformation is obtained.

  6. Precrystallization structures in supersaturated lysozyme solutions studied by dynamic light scattering and scanning force microscopy

    Science.gov (United States)

    Schaper, Achim; Georgalis, Yannis; Umbach, Patrick; Raptis, Jannis; Saenger, Wolfram

    1997-05-01

    A comparitive study of the nanostructure evolving during aggregation of hen-egg white lysozyme in supersaturated solution was carried out by dynamic light scattering (DLS) and scanning force microscopy (SFM). Lysozyme aggregate (cluster) formation was observed in solution in the presence of NaCl, (NH4)2SO4, and NaNO3 as precipitating agents. The growth kinetics were examined by DLS and revealed fractal growth of the clusters with a fractal dimension of 1.8 obtained independently of the type of inert salt. Such behavior is typical for diffusion-limited cluster-cluster (DLCA) aggregation. Initial lysozyme cluster sizes were in the range of 12-35 nm. SFM images of individual lysozyme clusters at the liquid-solid interface were obtained in the presence of NaCl and NaNO3 under crystallization conditions, and revealed cluster sizes in agreement with those determined by DLS. Extended domains of smaller sized clusters appeared on the mica surface after subjecting supersaturated lysozyme solutions to a dialysis step. The feasibility of DLS and SFM for monitoring the nano- and mesoscopic morphology of lysozyme aggregates in supersatured solutions and at the solid-liquid interface is discussed.

  7. Structural Characterization of a Polymer of Intrinsic Microporosity: X-ray Scattering With Insight From Molecular Dynamics Simulations

    Science.gov (United States)

    McDermott, Amanda G.; Larsen, Gregory S.; Budd, Peter M.; Colina, Coray M.; Runt, James

    2011-03-01

    Polymers of intrinsic microporosity (PIMs) are high-Tg , amorphous materials exhibiting high gas permeability and a large concentration of pores smaller than 2 nm, arising from a combination of rigid segments and sites of contortion. Structures generated by molecular dynamics simulations accurately reproduce characteristic scattering features from PIM-1 at high q , allowing us to investigate their origin by examining partial structure factors. Unlike scattering patterns typical of nonporous amorphous polymers, broad q range PIM scattering patterns include a shoulder at the size scale corresponding to pore sizes measured by other techniques. We discuss the development of a model for extracting pore sizes from scattering patterns. Supported by NSF/Materials World Network/EPSRC and the NSF Graduate Research Fellowship Program.

  8. Tagged spectator deep-inelastic scattering off the deuteron as a tool to study neutron structure

    Directory of Open Access Journals (Sweden)

    Cosyn Wim

    2016-01-01

    Full Text Available We give an overview of a model to describe deep-inelastic scattering (DIS off the deuteron with a spectator proton, based on the virtual nucleon approximation (VNA. The model accounts for the final-state interactions (FSI of the DIS debris with the spectator proton. Values of the rescattering cross section are obtained by fits to high-momentum spectator data. By using the so-called “pole extrapolation” method, free neutron structure functions can be obtained by extrapolating low-momentum spectator proton data to the on-shell neutron pole. We apply this method to the BONuS data set and find a surprising Bjorken x dependence, indicating a possible rise of the neutron to proton structure function ratio at high x.

  9. Electromagnetic radiation and scattering from small canonical structures of double-negative metamaterials

    DEFF Research Database (Denmark)

    Arslanagic, Samel

    2007-01-01

    aspects associated with DNG materials, and was subsequently extended to investigations of the radiation and scattering from two- and three-dimensional (2D and 3D) MTM-based canonical problems in electromagnetic theory. As to the theoretical aspects of DNG materials, the sign, or more generally the branch......, of the free-space wavelength. The enhancement of e.g., the total radiated power, as compared to the power radiated by the respective sources alone in free space, is found to be of the order of 55 dB, for cylindrical, and 93 dB, for spherical structures. These resonant effects, not present in the corresponding...... investigated. It is demonstrated that the resonant effects of the electrically small MTM-based structures, and thus the resulting enhancements of e.g., the total radiated power, are diminished as the losses are included, while being confined, but still present, to very narrow bands of frequency upon inclusion...

  10. Solution x-ray scattering and structure formation in protein dynamics

    Science.gov (United States)

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

    2017-12-01

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

  11. Heavy particle scattering by atomic and nuclear systems; Etude de la diffusion de particules lourdes sur des systemes atomiques et nucleaires

    Energy Technology Data Exchange (ETDEWEB)

    Lazauskas, R

    2003-10-01

    In this thesis quantum mechanical non-relativistic few-body problem is discussed. Basing on fundamentals ideas from Faddeev and Yakubovski three and four body equations are formulated and solved for fermionic atomic and nuclear systems. Former equations are modified to include long range interactions. Original results for nuclear and molecular physics were obtained: -) positively charged particle scattering on hydrogen atoms was considered; predictions for {pi}{sup +} {yields} H, {mu}{sup +} {yields} H and p{sup +} {yields} H scattering lengths were given. Existence of an unknown, very weakly bound H{sup +}{sub 2} bound state was predicted. -) Motivated by the possible observation of bound four neutron structure at GANIL we have studied compatibility of such an existence within the current nuclear interaction models. -) 4 nucleon scattering at low energies was investigated. Results for n {yields} {sup 3}H, p {yields} {sup 3}H and p {yields} {sup 3}He systems were compared with the experimental data. Validity of realistic nucleon-nucleon interaction models is questioned. (author)

  12. Structural characterization of the human cerebral myelin sheath by small angle x-ray scattering

    Science.gov (United States)

    DeFelici, M.; Felici, R.; Ferrero, C.; Tartari, A.; Gambaccini, M.; Finet, S.

    2008-10-01

    Myelin is a multi-lamellar membrane surrounding neuronal axons and increasing their conduction velocity. When investigated by small-angle x-ray scattering (SAXS), the lamellar quasi-periodical arrangement of the myelin sheath gives rise to distinct peaks, which allow the determination of its molecular organization and the dimensions of its substructures. In this study we report on the myelin sheath structural determination carried out on a set of human brain tissue samples coming from surgical biopsies of two patients: a man around 60 and a woman nearly 90 years old. The samples were extracted either from white or grey cerebral matter and did not undergo any manipulation or chemical-physical treatment, which could possibly have altered their structure, except dipping them into a formalin solution for their conservation. Analysis of the scattered intensity from white matter of intact human cerebral tissue allowed the evaluation not only of the myelin sheath periodicity but also of its electronic charge density profile. In particular, the thicknesses of the cytoplasm and extracellular regions were established, as well as those of the hydrophilic polar heads and hydrophobic tails of the lipid bilayer. SAXS patterns were measured at several locations on each sample in order to establish the statistical variations of the structural parameters within a single sample and among different samples. This work demonstrates that a detailed structural analysis of the myelin sheath can also be carried out in randomly oriented samples of intact human white matter, which is of importance for studying the aetiology and evolution of the central nervous system pathologies inducing myelin degeneration.

  13. Structural characterization of the human cerebral myelin sheath by small angle x-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    De Felici, M; Felici, R; Ferrero, C [European Synchrotron Radiation Facility, BP 220, 38043 Grenoble Cedex 9 (France); Tartari, A; Gambaccini, M [Physics Department, University of Ferrara, 44100 Ferrara (Italy); Finet, S [Universite Pierre et Marie Curie, BP29, 75252 Paris Cedex 05 (France)

    2008-10-21

    Myelin is a multi-lamellar membrane surrounding neuronal axons and increasing their conduction velocity. When investigated by small-angle x-ray scattering (SAXS), the lamellar quasi-periodical arrangement of the myelin sheath gives rise to distinct peaks, which allow the determination of its molecular organization and the dimensions of its substructures. In this study we report on the myelin sheath structural determination carried out on a set of human brain tissue samples coming from surgical biopsies of two patients: a man around 60 and a woman nearly 90 years old. The samples were extracted either from white or grey cerebral matter and did not undergo any manipulation or chemical-physical treatment, which could possibly have altered their structure, except dipping them into a formalin solution for their conservation. Analysis of the scattered intensity from white matter of intact human cerebral tissue allowed the evaluation not only of the myelin sheath periodicity but also of its electronic charge density profile. In particular, the thicknesses of the cytoplasm and extracellular regions were established, as well as those of the hydrophilic polar heads and hydrophobic tails of the lipid bilayer. SAXS patterns were measured at several locations on each sample in order to establish the statistical variations of the structural parameters within a single sample and among different samples. This work demonstrates that a detailed structural analysis of the myelin sheath can also be carried out in randomly oriented samples of intact human white matter, which is of importance for studying the aetiology and evolution of the central nervous system pathologies inducing myelin degeneration.

  14. The effect of temporal impulse response on experimental reduction of photon scatter in time-resolved diffuse optical tomography

    Science.gov (United States)

    Valim, Niksa; Brock, James; Leeser, Miriam; Niedre, Mark

    2013-01-01

    New fast detector technology has driven significant renewed interest in time-resolved measurement of early photons in improving imaging resolution in diffuse optical tomography and fluorescence mediated tomography in recent years. In practice, selection of early photons results in significantly narrower instrument photon density sensitivity functions (PDSFs) than the continuous wave case, resulting in a better conditioned reconstruction problem. In this work, we studied the quantitative impact of the instrument temporal impulse response function (TIRF) on experimental PDSFs in tissue mimicking optical phantoms. We used a multimode fiber dispersion method to vary the system TIRF over a range of representative literature values. Substantial disagreement in PDSF width--by up to 40%--was observed between experimental measurements and Monte Carlo (MC) models of photon propagation over the range of TIRFs studied. On average, PDSFs were broadened by about 0.3 mm at the center plane of the 2 cm wide imaging chamber per 100 ps of the instrument TIRF at early times. Further, this broadening was comparable on both the source and detector sides. Results were confirmed by convolution of instrument TIRFs with MC simulations. These data also underscore the importance of correcting imaging PDSFs for the instrument TIRF when performing tomographic image reconstruction to ensure accurate data-model agreement.

  15. Structural characterization of cellulosic materials using x-ray and neutron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Penttila, P.

    2013-11-01

    Cellulosic biomass can be used as a feedstock for sustainable production of biofuels and various other products. A complete utilization of the raw material requires understanding on its structural aspects and their role in the various processes. In this thesis, x-ray and neutron scattering methods were applied to study the structure of various cellulosic materials and how they are affected in different processes. The obtained results were reviewed in the context of a model for the cellulose nanostructure. The dimensions of cellulose crystallites and the crystallinity were determined with wide-angle x-ray scattering (WAXS), whereas the nanoscale fibrillar structure of cellulose was characterized with small-angle x-ray and neutron scattering (SAXS and SANS). The properties determined with the small-angle scattering methods included specific surface areas and distances characteristic of the packing of cellulose microfibrils. Also other physical characterization methods, such as x-ray microtomography, infrared spectroscopy, and solid-state NMR were utilized in this work. In the analysis of the results, a comprehensive understanding of the structural changes throughout a range of length scales was aimed at. Pretreatment of birch sawdust by pressurized hot water extraction was observed to increase the crystal width of cellulose, as determined with WAXS, even though the cellulose crystallinity was slightly decreased. A denser packing of microfibrils caused by the removal of hemicelluloses and lignin in the extraction was evidenced by SAXS. This resulted in the opening of new pores between the microfibril bundles and an increase of the specific surface area. Enzymatic hydrolysis of microcrystalline cellulose (MCC) did not lead to differences in the average crystallinity or crystal size of the hydrolysis residues, which was explained to be caused by limitations due to the large size of the enzymes as compared to the pores inside the fibril aggregates. The SAXS intensities

  16. Influence of structural length-scale variations on azimuth-resolved light scattering patterns of inhomogeneous cell models

    Science.gov (United States)

    Arifler, Dizem; Guillaud, Martial

    2015-07-01

    Optical scattering provides an intrinsic contrast mechanism for the diagnosis of early precancerous changes in tissues. There have been a multitude of numerical studies targeted at delineating the relationship between cancer-related alterations in morphology and internal structure of cells and the resulting changes in their optical scattering properties. Despite these efforts, we still need to further our understanding of inherent scattering signatures that can be linked to precancer progression. As such, computational studies aimed at relating electromagnetic wave interactions to cellular and subcellular structural alterations are likely to provide a quantitative framework for a better assessment of the diagnostic content of optical signals. In this study, we aim to determine the influence of structural length-scale variations on two-dimensional light scattering properties of cells. We numerically construct cell models with different lower bounds on the size of refractive index heterogeneities and we employ the finite-difference time-domain method to compute their azimuth-resolved light scattering patterns. The results indicate that changes in length-scale variations can significantly alter the two-dimensional scattering patterns of cell models. More specifically, the degree of azimuthal asymmetry characterizing these patterns is observed to be highly dependent on the range of length-scale variations. Overall, the study described here is expected to offer useful insights into whether azimuth-resolved measurements can be explored for diagnostic purposes.

  17. The Chemiluminescence and Structure Properties of Normal/Inverse Diffusion Flames

    Directory of Open Access Journals (Sweden)

    Ting Zhang

    2013-01-01

    Full Text Available The flame emission spectrometry was applied to detect the distribution of excited radicals in two types CH4/O2 coflow jet diffusion flames (normal and inverse diffusion flames. Combining the image analysis along with the spectrometry, the chemiluminescence and structure characteristics of these diffusion flames were investigated. The results show that the inverse diffusion flame (IDF with relatively high inlet oxygen velocity is composed of two regions: a bright base and a tower on top of the base, which is quite different from the normal diffusion flame (NDF. The flame is divided into two regions along the flame axis based on maximum OH* position (Region I: initial reaction zone; Region II: further oxidation zone. The degree of the further oxidization taking place in Region II is obvious in accordance with OH* distribution, which is the main difference in reaction zone between fuel-rich condition and fuel-lean condition for NDFs. For IDFs, the change of OH* distribution with increasing equivalence O/C ratio ([O/C]e in Region II is not conspicuous. More OH* and CH* are generated in IDFs, due to the inner high-speed O2 flow promoting the mixing of fuel and oxygen to a certain extent.

  18. Structure parameters of synaptic vesicles quantified by small-angle x-ray scattering.

    Science.gov (United States)

    Castorph, Simon; Riedel, Dietmar; Arleth, Lise; Sztucki, Michael; Jahn, Reinhard; Holt, Matthew; Salditt, Tim

    2010-04-07

    Synaptic vesicles (SVs) are small, membrane-bound organelles that are found in the synaptic terminal of neurons, and which are crucial in neurotransmission. After a rise in internal [Ca(2+)] during neuronal stimulation, SVs fuse with the plasma membrane releasing their neurotransmitter content, which then signals neighboring neurons. SVs are subsequently recycled and refilled with neurotransmitter for further rounds of release. Recently, tremendous progress has been made in elucidating the molecular composition of SVs, as well as putative protein-protein interactions. However, what is lacking is an empirical description of SV structure at the supramolecular level-which is necessary to enable us to fully understand the processes of membrane fusion, retrieval, and recycling. Using small-angle x-ray scattering, we have directly investigated the size and structure of purified SVs. From this information, we deduced detailed size and density parameters for the protein layers responsible for SV function, as well as information about the lipid bilayer. To achieve a convincing model fit, a laterally anisotropic structure for the protein shell is needed, as a rotationally symmetric density profile does not explain the data. Not only does our model confirm many of the preexisting ideas concerning SV structure, but also for the first time, to our knowledge, it indicates structural refinements, such as the presence of protein microdomains. Copyright (c) 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  19. Structure Parameters of Synaptic Vesicles Quantified by Small-Angle X-Ray Scattering

    Science.gov (United States)

    Castorph, Simon; Riedel, Dietmar; Arleth, Lise; Sztucki, Michael; Jahn, Reinhard; Holt, Matthew; Salditt, Tim

    2010-01-01

    Synaptic vesicles (SVs) are small, membrane-bound organelles that are found in the synaptic terminal of neurons, and which are crucial in neurotransmission. After a rise in internal [Ca2+] during neuronal stimulation, SVs fuse with the plasma membrane releasing their neurotransmitter content, which then signals neighboring neurons. SVs are subsequently recycled and refilled with neurotransmitter for further rounds of release. Recently, tremendous progress has been made in elucidating the molecular composition of SVs, as well as putative protein-protein interactions. However, what is lacking is an empirical description of SV structure at the supramolecular level—which is necessary to enable us to fully understand the processes of membrane fusion, retrieval, and recycling. Using small-angle x-ray scattering, we have directly investigated the size and structure of purified SVs. From this information, we deduced detailed size and density parameters for the protein layers responsible for SV function, as well as information about the lipid bilayer. To achieve a convincing model fit, a laterally anisotropic structure for the protein shell is needed, as a rotationally symmetric density profile does not explain the data. Not only does our model confirm many of the preexisting ideas concerning SV structure, but also for the first time, to our knowledge, it indicates structural refinements, such as the presence of protein microdomains. PMID:20371319

  20. Neutron scattering. Lectures

    Energy Technology Data Exchange (ETDEWEB)

    Brueckel, Thomas; Heger, Gernot; Richter, Dieter; Roth, Georg; Zorn, Reiner (eds.)

    2010-07-01

    The following topics are dealt with: Neutron sources, symmetry of crystals, diffraction, nanostructures investigated by small-angle neutron scattering, the structure of macromolecules, spin dependent and magnetic scattering, structural analysis, neutron reflectometry, magnetic nanostructures, inelastic scattering, strongly correlated electrons, dynamics of macromolecules, applications of neutron scattering. (HSI)

  1. Neutron scattering studies of domain structures in type-II superconductor niobium

    Energy Technology Data Exchange (ETDEWEB)

    Reimann, Tommy; Schulz, Michael [Heinz Maier-Leibnitz Zentrum (MLZ), TU Muenchen, Garching (Germany); Physikdepartment E21, TU Muenchen, Garching (Germany); Muehlbauer, Sebastian [Heinz Maier-Leibnitz Zentrum (MLZ), TU Muenchen, Garching (Germany); Gruenzweig, Christian [Paul-Scherrer-Institut, Villigen (Switzerland); Boeni, Peter [Physikdepartment E21, TU Muenchen, Garching (Germany)

    2014-07-01

    In the intermediate mixed state (IMS) of a type II superconductor (SC), the sample splits up into Meissner domains and Shubnikov domains which carry the vortex lattice (VL). A detailed investigation of these domain patterns offers the possibility to study general characteristics of domain nucleation and morphology as well as the physical properties of vortex-vortex and vortex-pinning interactions. In this talk we show that ultra small angle neutron scattering (USANS) can be used for the identification of VL properties. We have studied the VL domain morphology in a Nb single crystal disc that exhibit strong vortex pinning. USANS is sensitive to structures with sizes up to 20 microns and is therefore capable to probe IMS domains which is not possible with the commonly used small angle neutron scattering (SANS). Furthermore, USANS averages over the whole sample and hence probes the bulk of the material in contrast to magneto optical methods. Our investigation on the IMS of Nb reveals a preferred domain size with a strong dependence on magnetic field and sample thickness. Surprisingly, the average domain size is nearly independent of the temperature in a field cooled measurement giving some hint on the nature of field expulsion in the IMS of samples with significant pinning.

  2. Detection of Changes on and below the Surface in Epithelium Mucosal Tissue Structure using Scattered Light

    Science.gov (United States)

    Taslidere, Ezgi

    The aim of this work is to answer the question of whether it is possible to detect changes on and below the surface in epithelium tissue structure using light reflected from the tissue over an area (2-D scan) illuminated by an optical sensor (fiber) emitting light at either one wavelength or with white light. Towards that end we model the 2-D reflected scans using a Stochastic Decomposition Method (SDM). The emphasis in this work is on the novelty of the proposed model and its theoretical pinning and foundation. The model is biologically motivated by the stochastic textural nature of the tissue. We model the textural content (which relates to tissue morphology) that manifests itself in the 2-D scans. Unlike previous works that analyze the scattered signal at one spot at various wavelengths, our method statistically analyzes 2-D scans of light scattering data over an area, and extracts from the data features (SDM parameters) that change with changes in the tissue morphology. The examination of an area rather than a spot not only leads to a more reliable calculation of the extracted parameters using single techniques (e.g. nuclear size distribution), but it also leads to the computation of additional information embedded in the spatial texture that our decomposition technique arrives at by modeling the hidden correlations that are obtained only by interrogating a wide sample area. To the best of our knowledge, this is the first attempt at modeling the scattered light over an area using a stochastic decomposition model that allows for the assessment of correlation and textural characteristics that otherwise could not be revealed when the analysis of the scattering signal is a function of wavelength or angle. We also come up with a segmentation technique to raise a flag on the fly when a transition occurs between different mucosal architectures on the surface. The segmentation is based on a novel difference metric for detecting an abrupt change in the parameters

  3. Studies of protein structure in solution and protein folding using synchrotron small-angle x-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Lingling [Stanford Univ., CA (United States)

    1996-04-01

    Synchrotron small angle x-ray scattering (SAXS) has been applied to the structural study of several biological systems, including the nitrogenase complex, the heat shock cognate protein (hsc70), and lysozyme folding. The structural information revealed from the SAXS experiments is complementary to information obtained by other physical and biochemical methods, and adds to our knowledge and understanding of these systems.

  4. CMOS-compatible method for doping of buried vertical polysilicon structures by solid phase diffusion

    Energy Technology Data Exchange (ETDEWEB)

    Turkulets, Yury [Micron Semiconductor Israel Ltd., Qiryat Gat 82109 (Israel); Department of Electrical and Computer Engineering, Ben Gurion University of the Negev, Beer-Sheva 8410501 (Israel); Silber, Amir; Ripp, Alexander; Sokolovsky, Mark [Micron Semiconductor Israel Ltd., Qiryat Gat 82109 (Israel); Shalish, Ilan, E-mail: shalish@bgu.ac.il [Department of Electrical and Computer Engineering, Ben Gurion University of the Negev, Beer-Sheva 8410501 (Israel)

    2016-03-28

    Polysilicon receives attention nowadays as a means to incorporate 3D-structured photonic devices into silicon processes. However, doping of buried layers of a typical 3D structure has been a challenge. We present a method for doping of buried polysilicon layers by solid phase diffusion. Using an underlying silicon oxide layer as a dopant source facilitates diffusion of dopants into the bottom side of the polysilicon layer. The polysilicon is grown on top of the oxide layer, after the latter has been doped by ion implantation. Post-growth heat treatment drives in the dopant from the oxide into the polysilicon. To model the process, we studied the diffusion of the two most common silicon dopants, boron (B) and phosphorus (P), using secondary ion mass spectroscopy profiles. Our results show that shallow concentration profiles can be achieved in a buried polysilicon layer using the proposed technique. We present a quantitative 3D model for the diffusion of B and P in polysilicon, which turns the proposed method into an engineerable technique.

  5. Laser-induced generation of surface periodic structures in media with nonlinear diffusion

    Science.gov (United States)

    Zhuravlev, V. M.; Zolotovskii, I. O.; Korobko, D. A.; Morozov, V. M.; Svetukhin, V. V.; Yavtushenko, I. O.; Yavtushenko, M. S.

    2017-12-01

    A model of fast formation of high-contrast periodic structure appearing on a semiconductor surface under action of laser radiation is proposed. The process of growing a surface structure due to the interaction surface plasmon- polaritons excited on nonequilibrium electrons with incident laser radiation are considered in the framework of a medium with nonlinear diffusion of nonequilibrium carriers (defects). A resonance effect of superfast pico- and subpicosecond amplification of the plasmon-polariton structure generated on the surface, the realization of which can result in a high-contrast defect lattice.

  6. Etude de la structure interne du nucleon en diffusion profondement inelastique de muons sur cibles fixes.

    CERN Document Server

    Granier, Thierry

    Dans ce mémoire est présentée l'analyse, dans le but de l'extraction des fonctions de structure, d'une partie des données de diffusion profondément inélastique de muons sur cibles fixes d'hydrogène et de detérium obtenues dans l'expérience NMC (New Muon Collaboration) du CERN. Les fonctions de structure, à partir desquelles s'exprime la probabilité de diffusion à un certain angle et une certaine énergie, contiennent de l'information sur la structure interne du nucléon, plus précisément sur la distribution en énergie des quarks à l'intérieur de celui-ci. L'étude de la variation des fonctions de structure avec le degré d'inélasticité de la diffusion permet de tester la validité de la chromodynamique quantique, la théorie de jauge des interactions fortes

  7. The Effect of Physician and Hospital Market Structure on Medical Technology Diffusion.

    Science.gov (United States)

    Karaca-Mandic, Pinar; Town, Robert J; Wilcock, Andrew

    2017-04-01

    To examine the influence of physician and hospital market structures on medical technology diffusion, studying the diffusion of drug-eluting stents (DESs), which became available in April 2003. Medicare claims linked to physician demographic data from the American Medical Association and to hospital characteristics from the American Hospital Association Survey. Retrospective claims data analyses. All fee-for-service Medicare beneficiaries who received a percutaneous coronary intervention (PCI) with a cardiac stent in 2003 or 2004. Each PCI record was joined to characteristics on the patient, the procedure, the cardiologist, and the hospital where the PCI was delivered. We accounted for the endogeneity of physician and hospital market structure using exogenous variation in the distances between patient, physician, and hospital locations. We estimated multivariate linear probability models that related the use of a DES in the PCI on market structure while controlling for patient, physician, and hospital characteristics. DESs diffused faster in markets where cardiology practices faced more competition. Conversely, we found no evidence that the structure of the hospital market mattered. Competitive pressure to maintain or expand PCI volume shares compelled cardiologists to adopt DESs more quickly. © Health Research and Educational Trust.

  8. Influence of liquid structure on diffusive isotope separation in molten silicates and aqueous solutions

    Energy Technology Data Exchange (ETDEWEB)

    Watkins, J.M.; DePaolo, D.J.; Ryerson, F.J.; Peterson, B.

    2011-03-01

    Molecular diffusion in natural volcanic liquids discriminates between isotopes of major ions (e.g., Fe, Mg, Ca, and Li). Although isotope separation by diffusion is expected on theoretical grounds, the dependence on mass is highly variable for different elements and in different media. Silicate liquid diffusion experiments using simple liquid compositions were carried out to further probe the compositional dependence of diffusive isotopic discrimination and its relationship to liquid structure. Two diffusion couples consisting of the mineral constituents anorthite (CaAl{sub 2}Si{sub 2}O{sub 8}; denoted AN), albite (NaAlSi{sub 3}O{sub 8}; denoted AB), and diopside (CaMgSi{sub 2}O{sub 6}; denoted DI) were held at 1450°C for 2 h and then quenched to ambient pressure and temperature. Major-element as well as Ca and Mg isotope profiles were measured on the recovered quenched glasses. In both experiments, Ca diffuses rapidly with respect to Si. In the AB–AN experiment, D{sub Ca}/D{sub Si} ~ 20 and the efficiency of isotope separation for Ca is much greater than in natural liquid experiments where D{sub Ca}/D{sub Si} ~ 1. In the AB–DI experiment, D{sub Ca}/D{sub Si} ~ 6 and the efficiency of isotope separation is between that of the natural liquid experiments and the AB–AN experiment. In the AB–DI experiment, D{sub Mg}/D{sub Si} ~ 1 and the efficiency of isotope separation for Mg is smaller than it is for Ca yet similar to that observed for Mg in natural liquids. The results from the experiments reported here, in combination with results from natural volcanic liquids, show clearly that the efficiency of diffusive separation of Ca isotopes is systematically related to the solvent-normalized diffusivity—the ratio of the diffusivity of the cation (D{sub Ca}) to the diffusivity of silicon (D{sub Si}). The results on Ca isotopes are consistent with available data on Fe, Li, and Mg isotopes in silicate liquids, when considered in terms of the parameter D{sub cation

  9. Analysis of electromagnetic scattering by nearly periodic structures: an LDRD report.

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, William Arthur; Warne, Larry Kevin; Jorgenson, Roy Eberhardt; Wilton, Donald R. (University of Houston, Houston, TX); Basilio, Lorena I.; Peters, David William; Capolino, F. (University of Houston, Houston, TX)

    2006-10-01

    In this LDRD we examine techniques to analyze the electromagnetic scattering from structures that are nearly periodic. Nearly periodic could mean that one of the structure's unit cells is different from all the others--a defect. It could also mean that the structure is truncated, or butted up against another periodic structure to form a seam. Straightforward electromagnetic analysis of these nearly periodic structures requires us to grid the entire structure, which would overwhelm today's computers and the computers in the foreseeable future. In this report we will examine various approximations that allow us to continue to exploit some aspects of the structure's periodicity and thereby reduce the number of unknowns required for analysis. We will use the Green's Function Interpolation with a Fast Fourier Transform (GIFFT) to examine isolated defects both in the form of a source dipole over a meta-material slab and as a rotated dipole in a finite array of dipoles. We will look at the numerically exact solution of a one-dimensional seam. In order to solve a two-dimensional seam, we formulate an efficient way to calculate the Green's function of a 1d array of point sources. We next formulate ways of calculating the far-field due to a seam and due to array truncation based on both array theory and high-frequency asymptotic methods. We compare the high-frequency and GIFFT results. Finally, we use GIFFT to solve a simple, two-dimensional seam problem.

  10. Structure dependence of final-state effects in deep inelastic neutron scattering: Quasiclassical theory

    Energy Technology Data Exchange (ETDEWEB)

    Silver, R.N.; Reiter, G.

    1987-03-01

    Using a quasiclassical approximation, we calculate the Q..-->..infinity limit of S(Q,..omega..) for finite potentials with a hard core. For yequivalentm(..omega..-h-dash-barQ/sup 2//2m)/h-dash-barQ, we find QS(Q,..omega..) equals a convolution of the impulse-approximation result F/sub IA/(y) with a ''final-state'' resolution function, R/sub FS/(y), which depends on the structure of the material through the radial distribution function g(r). For realistic g(r), R/sub FS/(y) has smaller full width at half maximum than the Hohenberg-Platzman prediction, zero second moment, and no Lorentzian wings. We compare with previous theoretical work, and we discuss the determination of momentum distributions in quantum solids and fluids from deep-inelastic neutron scattering data.

  11. Proton resonance elastic scattering of $^{30}$Mg for single particle structure of $^{31}$Mg

    CERN Multimedia

    The single particle structure of $^{31}$Mg, which is located in the so-called “island of inversion”, will be studied through measuring Isobaric Analog Resonances (IARs) of bound states of $^{31}$Mg. They are located in the high excitation energy of $^{31}$Al. We are going to determine the spectroscopic factors and angular momenta of the parent states by measuring the excitation function of the proton resonance elastic scattering around 0 degrees in the laboratory frame with around 3 MeV/nucleon $^{30}$Mg beam. The present study will reveal the shell evolution around $^{32}$Mg. In addition, the spectroscopic factor of the (7/2)$^{−}$ state which was not yet determined experimentally, may allow one to study the shape coexistence in this nucleus.

  12. Structure of clathrin-coated vesicles from small-angle scattering experiments

    DEFF Research Database (Denmark)

    Pedersen, J.S.

    1993-01-01

    used for interpreting the data has spherical symmetry and explicitly takes into account polydispersity, which is described by a Gaussian distribution. A constant thickness of the clathrin coats is assumed. The fitting of the model shows that the coated vesicles consist of a low-density outer protein...... shell (clathrin) and a central protein shell (accessory polypeptides and receptors) of approximately six times higher density. For the X-ray scattering and neutron contrast variation data. the polydispersity of the samples is of the order of 90 angstrom (full-width-at-half-maximum value) and the average...... is situated in the central high-density shell, which gives a large amount of protein in the lipid membrane. The densities of the central shell and the lipid membrane show that the hydration is small in the central region. A comparison of the total mass, the mass distribution, and the structure of the average...

  13. Study of the structure of the Hoyle state by refractive α-scattering

    Directory of Open Access Journals (Sweden)

    Goncharov S.A.

    2014-03-01

    Full Text Available α + 12C elastic and inelastic to the Hoyle state (0+2, 7.65 MeV differential cross-sections were measured at the energies 60 and 65 MeV with the aim of testing the microscopic wave function [1] widely used in modern structure calculations of 12C. Deep rainbow (Airy minima were observed in all four curves. The minima in the inelastic angular distributions are shifted to the larger angles relatively those in the elastic ones, which testify the radius enhancement of the Hoyle state. In general, the DWBA calculations failed to reproduce the details of the cross sections in the region of therainbow minima in the inelastic scattering data. However, by using the phenomenological density with rms radius equal 2.9 fm, we can reproduce the Airy minimum positions.

  14. Two Comments to Utilization of Structure Function Approach in Deep Inelastic Scattering Experiments

    CERN Document Server

    Kuraev, E A; Ilichev, A S

    2002-01-01

    The "returning to resonance" mechanism can be used to obtain the simple procedure of taking radiative corrections (RC) to deep inelastic scattering (DIS) cross sections into account in the framework of Drell-Yan picture. Iteration procedure is proposed. Kinematical region y\\to 1 can be described in the framework of Drell-Yan picture using the structure function approach. The large RC in the lowest order reflect the Sudakov form factor suppression, which can be taken into account in all orders of perturbation theory. Based on explicit calculation in two lowest orders of perturbation theory we construct the cross section in y\\to 1 region obeying renormalization group equations and including the Sudakov-like form factor suppression.

  15. Scattering of electromagnetic waves by vortex density structures associated with interchange instability: Analytical and large scale plasma simulation results

    Energy Technology Data Exchange (ETDEWEB)

    Sotnikov, V.; Kim, T.; Lundberg, J. [Air Force Research Laboratory (AFRL/RY), Wright Patterson AFB, Ohio 45433 (United States); Paraschiv, I. [University of Nevada at Reno, Nevada 89557 (United States); Mehlhorn, T. A. [Naval Research Laboratory, Washington, District of Columbia 20375 (United States)

    2014-05-15

    The presence of plasma turbulence can strongly influence propagation properties of electromagnetic signals used for surveillance and communication. In particular, we are interested in the generation of low frequency plasma density irregularities in the form of coherent vortex structures. Interchange or flute type density irregularities in magnetized plasma are associated with Rayleigh-Taylor type instability. These types of density irregularities play an important role in refraction and scattering of high frequency electromagnetic signals propagating in the earth ionosphere, in high energy density physics, and in many other applications. We will discuss scattering of high frequency electromagnetic waves on low frequency density irregularities due to the presence of vortex density structures associated with interchange instability. We will also present particle-in-cell simulation results of electromagnetic scattering on vortex type density structures using the large scale plasma code LSP and compare them with analytical results.

  16. Flexible and polarization-controllable diffusion metasurface with optical transparency

    Science.gov (United States)

    Zhuang, Yaqiang; Wang, Guangming; Liang, Jiangang; Cai, Tong; Guo, Wenlong; Zhang, Qingfeng

    2017-11-01

    In this paper, a novel coding metasurface is proposed to realize polarization-controllable diffusion scattering. The anisotropic Jerusalem-cross unit cell is employed as the basic coding element due to its polarization-dependent phase response. The isotropic random coding sequence is firstly designed to obtain diffusion scattering, and the anisotropic random coding sequence is subsequently realized by adding different periodic coding sequences to the original isotropic one along different directions. For demonstration, we designed and fabricated a flexible polarization-controllable diffusion metasurface (PCDM) with both chessboard diffusion and hedge diffusion under different polarizations. The specular scattering reduction performance of the anisotropic metasurface is better than the isotropic one because the scattered energies are redirected away from the specular reflection direction. For potential applications, the flexible PCDM wrapped around a cylinder structure is investigated and tested for polarization-controllable diffusion scattering. The numerical and experimental results coincide well, indicating anisotropic low scatterings with comparable performances. This paper provides an alternative approach for designing high-performance, flexible, low-scattering platforms.

  17. Where Scattering and Computations Meet: Structure and Dynamics of Ionic Co-Polymers

    Science.gov (United States)

    Perahia, Dvora

    2014-03-01

    Ion transporting polymers constitute vital components in clean energy generation and storage devices including electrolytic media in fuel cells and ion conducting separators in batteries. While different polymers are currently in use, achieving controlled ion transport and storage ability while retaining mechanical and chemical stability remains a challenge: under the conditions which optimize the transport and storage for specific application, either mechanical or chemical stabilities are compromised. Designing block-co-polymers with ion transporting blocks bound to blocks that enhance mechanical and chemical stability would mitigate the challenge. Tailoring block copolymers with blocks that exhibit various desired properties, results in a new set of open questions that pertain to new complex materials including defining the phase diagram and understanding the interfacial regions of the muliblocks. Here we present the first molecular-level computational insight of the behavior of a pentablock, A-B-C-B-A, co-polymer that consists of an A block of poly(t-butyl-styrene), a B block of ethylene-r-propylene and a C block of a randomly sulfonated styrene, in solution in comparison with neutron scattering data. Neutron studies have shown that in hydrophobic solvents this pentablock forms elongated micelles in dilute solutions where the ionic block dominates the solution structure. These studies provide ensemble average of structure and properties. The computational studies provided further molecular-level insight. Here we will discuss the interrelations between scattering results and computational studies to provide remarkable understanding of a complex ionic system. Pathways to advance this molecular understanding to an actual membrane will be then discussed. We thank DOE contact DE-FGO2-12ER46843 for support of this work.

  18. Inelastic Scattering in STEM for Studying Structural and Electronic Properties of Chalcogenide-Based Semiconductor Nanocrystals

    Science.gov (United States)

    Gunawan, Aloysius Andhika

    Transmission electron microscopy (TEM) relies upon elastic and inelastic scattering signals to perform imaging and analysis of materials. TEM images typically contain contributions from both types of scattering. The ability to separate the contributions from elastic and inelastic processes individually through energy filter or electron energy loss spectroscopy (EELS) allows unique analysis that is otherwise unachievable. Two prominent types of inelastic scattering probed by EELS, namely plasmon and core-loss excitations, are useful for elucidating structural and electronic properties of chalcogenide-based semiconductor nanocrystals. The elastic scattering, however, is still a critical part of the analysis and used in conjunction with the separated inelastic scattering signals. The capability of TEM operated in scanning mode (STEM) to perform localized atomic length scale analysis also permits the understanding of the nanocrystals unattainable by other techniques. Despite the pivotal role of inelastic scatterings, their contributions for STEM imaging, particularly high-angle annular dark field STEM (HAADF-STEM), are not completely understood. This is not surprising since it is currently impossible to experimentally separate the inelastic signals contributing to HAADF-STEM images although images obtained under bright-field TEM mode can be analyzed separately from their scattering contributions using energy-filtering devices. In order to circumvent such problem, analysis based on simulation was done. The existing TEM image simulation algorithm called Multislice method, however, only accounts for elastic scattering. The existing Multislice algorithm was modified to incorporate (bulk or volume) plasmon inelastic scattering. The results were verified based on data from convergent-beam electron diffraction (CBED), electron energy loss spectroscopy (EELS), and HAADF-STEM imaging as well as comparison to experimental data. Dopant atoms are crucial factors which control

  19. Fragmentation and nucleon structure in semi-inclusive deep-inelastic scattering at the HERMES experiment

    Energy Technology Data Exchange (ETDEWEB)

    Jossten, Sylvester Johannes

    2013-10-15

    Multiplicities for the semi-inclusive production of each charge state of {pi}{sup {+-}} and K{sup {+-}} mesons in deep-inelastic scattering are presented as a function of the kinematic quantities x, Q{sup 2}, z and P{sub h} {sub perpendicular} {sub to}. The multiplicities were extracted from data collected by the HERMES experiment at the HERA storage ring using 27.6 GeV electron and positron beams on a hydrogen or deuterium gas target. These results for identified hadrons constitute the most precise measurement to date, and will significantly enhance our understanding of the proton structure, as well as the fragmentation process in deep-inelastic scattering. Furthermore, the 3D binning at an unprecedented level of precision provides a handle to help disentangle the transverse momentum structure of both. The high level of precision coupled with an intermediate energy regime requires a careful study of the complex interaction between the experimental systematics, theoretical uncertainties, and the applicability of the factorization theorem within the standard framework of leading-twist collinear QCD. This is illustrated by the extraction of the valence quark ratio d{sub {nu}}/u{sub {nu}} at leading-order in {alpha}{sub s}. These results show a strong z-dependence below z {approx} 0.30, which could be interpreted as evidence for factorization breaking. This evidence weakens somewhat when isospin invariance of the fragmentation functions is assumed to be broken. Additionally, the multiplicities for the semi-inclusive production of {pi}{sup 0} mesons in deep-inelastic scattering are presented as a function of z. These multiplicities were extracted from the same data sample as used for the charged meson results. The neutral pion multiplicity is the same as the average charged pion multiplicity, up to z {approx} 0.70. This is consistent with isospin invariance below z {approx} 0.70. The results at high values of z show strong signs of isospin symmetry breaking.

  20. PROBING THE STANDARD MODEL AND NUCLEON STRUCTURE VIA PARITY VIOLATING ELECTRON SCATTERING

    Energy Technology Data Exchange (ETDEWEB)

    Humensky, T

    2003-10-28

    Parity-violating electron scattering has developed over the last 25 years into a tool to study both the structure of electroweak interactions and the structure of nucleons. Work on two parity-violation experiments is reported in this thesis. They are the Hall A Proton Parity EXperiment (HAPPEX), which ran at Jefferson Laboratory in 1998-1999, and SLAC E-158, which had its first physics running in 2002. HAPPEX measured the parity-violating asymmetry in elastic e-p scattering at a momentum transfer squared of Q{sup 2} = 0.477 GeV{sup 2} and a scattering angle of 12{sup o}. This asymmetry is sensitive to the presence of strange sea quarks in the proton. In particular, it is sensitive to the proton's strange elastic form factors. An asymmetry of A{sub LR}{sup ep} = -15.05 {+-} 0.98 {+-} 0.56 ppm was measured, where the first error is statistical and the second error is systematic. Combining this asymmetry measurement with existing measurements of the electromagnetic form factors of the proton and neutron allowed HAPPEX to set new constraints on the strange elastic form factors of the proton G{sub E}{sup s} + 0.392G{sub M}{sup s} = 0.025 {+-} 0.020 {+-} 0.014, where G{sub E}{sup s} and G{sub M}{sup s} are the strange electric and magnetic form factors of the proton, respectively. The first error is the quadrature sum of the experimental errors and the second error is due to uncertainty in the electromagnetic form factors. This result is consistent with the absence of a contribution from strange quarks. This thesis reports an analysis of the 1999 data set, with a particular focus on the determination of the raw asymmetry and the corrections to the raw asymmetry to account for helicity-correlated asymmetries in properties of the electron beam.

  1. Structural Stability of Diffusion Barriers in Cu/Ru/MgO/Ta/Si.

    Science.gov (United States)

    Hsieh, Shu-Huei; Chen, Wen Jauh; Chien, Chu-Mo

    2015-11-03

    Various structures of Cu (50 nm)/Ru (2 nm)/MgO (0.5-3 nm)/Ta (2 nm)/Si were prepared by sputtering and electroplating techniques, in which the ultra-thin trilayer of Ru (2 nm)/MgO (0.5-3 nm)/Ta (2 nm) is used as the diffusion barrier against the interdiffusion between Cu film and Si substrate. The various structures of Cu/Ru/MgO/Ta/Si were characterized by four-point probes for their sheet resistances, by X-ray diffractometers for their crystal structures, by scanning electron microscopes for their surface morphologies, and by transmission electron microscopes for their cross-section and high resolution views. The results showed that the ultra-thin tri-layer of Ru (2 nm)/MgO (0.5-3 nm)/Ta (2 nm) is an effective diffusion barrier against the interdiffusion between Cu film and Si substrate. The MgO, and Ta layers as deposited are amorphous. The mechanism for the failure of the diffusion barrier is that the Ru layer first became discontinuous at a high temperature and the Ta layer sequentially become discontinuous at a higher temperature, the Cu atoms then diffuse through the MgO layer and to the substrate at the discontinuities, and the Cu₃Si phases finally form. The maximum temperature at which the structures of Cu (50 nm)/Ru (2 nm)/MgO (0.5-3 nm)/Ta (2 nm)/Si are annealed and still have low sheet resistance is from 550 to 750 °C for the annealing time of 5 min and from 500 to 700 °C for the annealing time of 30 min.

  2. Flame Structure of Vitiated Fuel-Rich Inverse Diffusion Flames in a Cross-Flow (Postprint)

    Science.gov (United States)

    2011-12-01

    Pulse separation was set to 2 µs to ensure rotational and vibrational relaxation of the OH between pulses. The intensifier gate width on each...propane and acetylene inverse diffusion flames to understand the structure and stability of these flows. Reasonable agreement was noted between the...temperature were avoided. A Spectra Physics Pro 290 and Quanta Ray 250 Nd:YAG laser were used to pump a Sirah Cobra Stretch and Continuum ND6000 Dye

  3. Detailed analysis of surface asperity deformation mechanism in diffusion bonding of steel hollow structural components

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, C. [School of Materials Science and Engineering, Northwestern Polytechnical University, Xi’an 710072 (China); Laboratoire de Mecanique des Contacts et des Structures (LaMCoS), INSA Lyon, 20 Avenue des Sciences, F-69621 Villeurbanne Cedex (France); Li, H. [School of Materials Science and Engineering, Northwestern Polytechnical University, Xi’an 710072 (China); Li, M.Q., E-mail: zc9997242256@126.com [School of Materials Science and Engineering, Northwestern Polytechnical University, Xi’an 710072 (China)

    2016-05-15

    Graphical abstract: This study focused on the detailed analysis of surface asperity deformation mechanism in diffusion bonding of steel hollow structural component. A special surface with regular patterns was processed to be joined so as to observe the extent of surface asperity deformation under different applied bonding pressures. Fracture surface characteristic combined with surface roughness profiles distinctly revealed the enhanced surface asperity deformation as the applied pressure increases. The influence of surface asperity deformation mechanism on joint formation was analyzed: (a) surface asperity deformation not only directly expanded the interfacial contact areas, but also released deformation heat and caused defects, indirectly accelerating atomic diffusion, then benefits to void shrinkage; (b) surface asperity deformation readily introduced stored energy difference between two opposite sides of interface grain boundary, resulting in strain induced interface grain boundary migration. In addition, the influence of void on interface grain boundary migration was analyzed in detail. - Highlights: • A high quality hollow structural component has been fabricated by diffusion bonding. • Surface asperity deformation not only expands the interfacial contact areas, but also causes deformation heat and defects to improve the atomic diffusion. • Surface asperity deformation introduces the stored energy difference between the two opposite sides of interface grain boundary, leading to strain induced interface grain boundary migration. • The void exerts a dragging force on the interface grain boundary to retard or stop interface grain boundary migration. - Abstract: This study focused on the detailed analysis of surface asperity deformation mechanism in similar diffusion bonding as well as on the fabrication of high quality martensitic stainless steel hollow structural components. A special surface with regular patterns was processed to be joined so as to

  4. Colloidal structure and stability of DNA/polycations polyplexes investigated by small angle scattering.

    Science.gov (United States)

    Prévost, Sylvain; Riemer, Sven; Fischer, Wiebke; Haag, Rainer; Böttcher, Christoph; Gummel, Jérémie; Grillo, Isabelle; Appavou, Marie-Sousai; Gradzielski, Michael

    2011-12-12

    Polyplexes of short DNA-fragments (300 b.p., 100 nm) with tailor-made amine-based polycations of different architectures (linear and hyperbranched) were investigated in buffer solution as a function of the mixing ratio with DNA. The resulting dispersed polyplexes were characterized using small-angle neutron and X-ray scattering (SANS, SAXS) as well as cryo-TEM with respect to their mesoscopic structure and their colloidal stability. The linear polyimines form rather compact structures that have a high tendency for precipitation. In contrast, the hyperbranched polycation with enzymatic-labile pentaethylenehexamine arms (PEHA) yields polyplexes colloidally stable for months. Here the polycation coating of DNA results in a homogeneous dispersion based on a fractal network with low structural organization at low polycation amount. With increasing polycation, bundles of tens of aligned DNA rods appear that are interconnected in a fractal network with a typical correlation distance on the order of 100 nm, the average length of the DNA used. With higher organization comes a decrease in stability. The 3D network built by these beams can still exhibit some stability as long as the material concentration is large enough, but the structure collapses upon dilution. SAXS shows that the complexation does not affect the local DNA structure. Interestingly, the structural findings on the DNA polyplexes apparently correlate with the transfection efficiency of corresponding siRNA complexes. In general, these finding not only show systematic trends for the colloid stability, but may allow for rational approaches to design effective transfection carriers.

  5. Unraveling the multiscale structural organization and connectivity of the human brain: the role of diffusion MRI

    Directory of Open Access Journals (Sweden)

    Matteo eBastiani

    2015-06-01

    Full Text Available The structural architecture and the anatomical connectivity of the human brain show different organizational principles at distinct spatial scales. Histological staining and light microscopy techniques have been widely used in classical neuroanatomical studies to unravel brain organization. Using such techniques is a laborious task performed on 2-dimensional histological sections by skilled anatomists possibly aided by semi-automated algorithms. With the recent advent of modern magnetic resonance imaging (MRI contrast mechanisms, cortical layers and columns can now be reliably identified and their structural properties quantified post mortem. These developments are allowing the investigation of neuroanatomical features of the brain at a spatial resolution that could be interfaced with that of histology. Diffusion MRI and tractography techniques, in particular, have been used to probe the architecture of both white and gray matter in three dimensions. Combined with mathematical network analysis, these techniques are increasingly influential in the investigation of the macro-, meso- and microscopic organization of brain connectivity and anatomy, both in vivo and ex vivo. Diffusion MRI-based techniques in combination with histology approaches can therefore support the endeavor of creating multimodal atlases that take into account the different spatial scales or levels on which the brain is organized. The aim of this review is to illustrate and discuss the structural architecture and the anatomical connectivity of the human brain at different spatial scales and how recently developed diffusion MRI techniques can help investigate these.

  6. Spatial Structure and Diffusive Dynamics from Single-Particle Trajectories Using Spline Analysis

    Science.gov (United States)

    Long, Brian R.; Vu, Tania Q.

    2010-01-01

    Abstract Single-particle tracking of biomolecular probes has provided a wealth of information about intracellular trafficking and the dynamics of proteins and lipids in the cell membrane. Conventional mean-square displacement (MSD) analysis of single-particle trajectories often assumes that probes are moving in a uniform environment. However, the observed two-dimensional motion of probe particles is influenced by the local three-dimensional geometry of the cell membrane and intracellular structures, which are rarely flat at the submicron scale. This complex geometry can lead to spatially confined trajectories that are difficult to analyze and interpret using conventional two-dimensional MSD analysis. Here we present two methods to analyze spatially confined trajectories: spline-curve dynamics analysis, which extends conventional MSD analysis to measure diffusive motion in confined trajectories; and spline-curve spatial analysis, which measures spatial structures smaller than the limits of optical resolution. We show, using simulated random walks and experimental trajectories of quantum dot probes, that differences in measured two-dimensional diffusion coefficients do not always reflect differences in underlying diffusive dynamics, but can instead be due to differences in confinement geometries of cellular structures. PMID:20409493

  7. Modeling structure-function relationships for diffusive drug transport in inert porous geopolymer matrices.

    Science.gov (United States)

    Jämstorp, Erik; Strømme, Maria; Frenning, Göran

    2011-10-01

    A unique structure-function relationship investigation of mechanically strong geopolymer drug delivery vehicles for sustained release of potent substances is presented. The effect of in-synthesis water content on geopolymer pore structure and diffusive drug transport is investigated. Scanning electron microscopy, N2 gas adsorption, mercury intrusion porosimetry, compression strength test, drug permeation, and release experiments are performed. Effective diffusion coefficients are measured and compared with corresponding theoretical values as derived from pore size distribution and connectivity via pore-network modeling. By solely varying the in-synthesis water content, mesoporous and mechanically strong geopolymers with porosities of 8%-45% are obtained. Effective diffusion coefficients of the model drugs Saccharin and Zolpidem are observed to span two orders of magnitude (∼1.6-120 × 10(-8) cm(2) /s), comparing very well to theoretical estimations. The ability to predict drug permeation and release from geopolymers, and materials alike, allows future formulations to be tailored on a structural and chemical level for specific applications such as controlled drug delivery of highly potent substances. Copyright © 2011 Wiley-Liss, Inc.

  8. Diffusion bonding and brazing of high purity copper for linear collider accelerator structures

    Directory of Open Access Journals (Sweden)

    J. W. Elmer

    2001-05-01

    -step joining method is proposed for fabricating the NLC structures. The structure would be assembled with pure silver braze inserts using a self-aligning step joint design, then the assembly would be vacuum diffusion bonded at 700 °C and 3.45 MPa pressure to seal the critical inner portion of the assembly. Finally, during the same furnace cycle, the temperature would be increased to 800 °C in order to react the silver with the copper to form a liquid braze alloy that would join and seal the outer portion of the cells together.

  9. Insights into Caco-2 cell culture structure using coherent anti-Stokes Raman scattering (CARS) microscopy.

    Science.gov (United States)

    Saarinen, Jukka; Sözeri, Erkan; Fraser-Miller, Sara J; Peltonen, Leena; Santos, Hélder A; Isomäki, Antti; Strachan, Clare J

    2017-05-15

    We have used coherent anti-Stokes Raman scattering (CARS) microscopy as a novel and rapid, label-free and non-destructive imaging method to gain structural insights into live intestinal epithelial cell cultures used for drug permeability testing. Specifically we have imaged live Caco-2 cells in (bio)pharmaceutically relevant conditions grown on membrane inserts. Imaging conditions were optimized, including evaluation of suitable membrane materials and media solutions, as well as tolerable laser powers for non-destructive imaging of the live cells. Lipid structures, in particular lipid droplets, were imaged within the cells on the insert membranes. The size of the individual lipid droplets increased substantially over the 21-day culturing period up to approximately 10% of the volume of the cross section of individual cells. Variation in lipid content has important implications for intestinal drug permeation testing during drug development but has received limited attention to date due to a lack of suitable analytical techniques. CARS microscopy was shown to be well suited for such analysis with the potential for in situ imaging of the same individual cell-cultures that are used for permeation studies. Overall, the method may be used to provide important information about cell monolayer structure to better understand drug permeation results. Copyright © 2017 Elsevier B.V. All rights reserved.

  10. Improving small-angle X-ray scattering data for structural analyses of the RNA world.

    Science.gov (United States)

    Rambo, Robert P; Tainer, John A

    2010-03-01

    Defining the shape, conformation, or assembly state of an RNA in solution often requires multiple investigative tools ranging from nucleotide analog interference mapping to X-ray crystallography. A key addition to this toolbox is small-angle X-ray scattering (SAXS). SAXS provides direct structural information regarding the size, shape, and flexibility of the particle in solution and has proven powerful for analyses of RNA structures with minimal requirements for sample concentration and volumes. In principle, SAXS can provide reliable data on small and large RNA molecules. In practice, SAXS investigations of RNA samples can show inconsistencies that suggest limitations in the SAXS experimental analyses or problems with the samples. Here, we show through investigations on the SAM-I riboswitch, the Group I intron P4-P6 domain, 30S ribosomal subunit from Sulfolobus solfataricus (30S), brome mosaic virus tRNA-like structure (BMV TLS), Thermotoga maritima asd lysine riboswitch, the recombinant tRNA(val), and yeast tRNA(phe) that many problems with SAXS experiments on RNA samples derive from heterogeneity of the folded RNA. Furthermore, we propose and test a general approach to reducing these sample limitations for accurate SAXS analyses of RNA. Together our method and results show that SAXS with synchrotron radiation has great potential to provide accurate RNA shapes, conformations, and assembly states in solution that inform RNA biological functions in fundamental ways.

  11. Band structures in a two-dimensional phononic crystal with rotational multiple scatterers

    Science.gov (United States)

    Song, Ailing; Wang, Xiaopeng; Chen, Tianning; Wan, Lele

    2017-03-01

    In this paper, the acoustic wave propagation in a two-dimensional phononic crystal composed of rotational multiple scatterers is investigated. The dispersion relationships, the transmission spectra and the acoustic modes are calculated by using finite element method. In contrast to the system composed of square tubes, there exist a low-frequency resonant bandgap and two wide Bragg bandgaps in the proposed structure, and the transmission spectra coincide with band structures. Specially, the first bandgap is based on locally resonant mechanism, and the simulation results agree well with the results of electrical circuit analogy. Additionally, increasing the rotation angle can remarkably influence the band structures due to the transfer of sound pressure between the internal and external cavities in low-order modes, and the redistribution of sound pressure in high-order modes. Wider bandgaps are obtained in arrays composed of finite unit cells with different rotation angles. The analysis results provide a good reference for tuning and obtaining wide bandgaps, and hence exploring the potential applications of the proposed phononic crystal in low-frequency noise insulation.

  12. Measurement of the spin structure of the neutron using polarised deep inelastic scattering

    Science.gov (United States)

    Kaiser, Ralf Bernd

    The measurement of the spin structure function g1p of the proton and its integral Γ1p by the EMC experiment at C scERN in 1988 indicated that only 12% ± 17% of the proton spin is carried by quarks. This unexpected result-the so called 'spin crisis'-lead to a series of new experimental proposals. One of these, the H scERMES experiment, uses the polarised positron beam of the H scERA accelerator together with a polarised internal gas target of hydrogen, deuterium or 3He for the study of the spin structure of the nucleon. The scattered positrons and other products of the reaction are detected in a forward spectrometer with large acceptance. This thesis focuses on three topics, after a review of the relevant theory and an overview of the H scERMES experiment: The H scERMES transition radiation detector (TRD), which is used to distinguish high energy positrons from hadrons, the H scERMES particle identification (PID) system and the measurement of the spin structure function g1n of the neutron. The H scERMES TRD is the main Canadian contribution to the apparatus of the experiment. The H scERMES PID system allows the identification of positrons from deep inelastic scattering with an efficiency of 99% and a hadron contamination of less than 0.5%. The first physics result from the 1995 H scERMES data is the measurement of the spin structure function g1n(x) of the neutron. The value of the resulting integral Γ1n=∫01g1n(x)/ dx confirms previous measurements at SLAC and violates the Ellis-Jaffe sum rule by about one sigma. The contribution of the quarks to the spin of the neutron can be calculated in the framework of the quark parton model to be 37 ± 16%, indicating that less than half of the spin of the neutron is carried by quarks.

  13. Structural abnormalities in childhood absence epilepsy: voxel-based analysis using diffusion tensor imaging

    Directory of Open Access Journals (Sweden)

    Wenchao Qiu

    2016-09-01

    Full Text Available Purpose: Childhood absence epilepsy (CAE is a common syndrome of idiopathic generalized epilepsy. However, little is known about the brain structural changes in this type of epilepsy, especially in the default mode network (DMN regions. This study aims at using the diffusion tensor imaging (DTI technique to quantify structural abnormalities of DMN nodes in CAE patients. Method: DTI data were acquired in 14 CAE patients (aged 8.64±2.59 years, 7 females and 7 males and 16 age- and sex-matched healthy controls. The data were analyzed using voxel-based analysis (VBA and statistically compared between patients and controls. Pearson correlation was explored between altered DTI metrics and clinical parameters. The difference of brain volumes between patients and controls were also tested using unpaired t-test. Results: Patients showed significant increase of mean diffusivity (MD and radial diffusivity (RD in left medial prefrontal cortex, and decrease of fractional anisotropy (FA in left precuneus and axial diffusivity (AD in both left medial prefrontal cortex and precuneus. In correlation analysis, MD value from left medial prefrontal cortex was positively associated with duration of epilepsy. Neither the disease duration nor the seizure frequency showed significant correlation with FA values. Between-group comparison of brain volumes got no significant difference. Conclusion: The findings indicate that structural impairments exist in DMN regions in children suffering from absence epilepsy and MD values positively correlate with epilepsy duration. This may contribute to understanding the pathological mechanisms of chronic neurological deficits and promote the development of new therapies for this disorder.

  14. Critical scattering

    Energy Technology Data Exchange (ETDEWEB)

    Stirling, W.G. [Liverpool Univ., Dep. of Physics, Liverpool (United Kingdom); Perry, S.C. [Keele Univ. (United Kingdom). Dept. of Physics

    1996-12-31

    We outline the theoretical and experimental background to neutron scattering studies of critical phenomena at magnetic and structural phase transitions. The displacive phase transition of SrTiO{sub 3} is discussed, along with examples from recent work on magnetic materials from the rare-earth (Ho, Dy) and actinide (NpAs, NpSb, USb) classes. The impact of synchrotron X-ray scattering is discussed in conclusion. (author) 13 figs., 18 refs.

  15. QCD Precision Measurements and Structure Function Extraction at a High Statistics, High Energy Neutrino Scattering Experiment: NuSOnG

    Energy Technology Data Exchange (ETDEWEB)

    Adams, T.; /Florida State U.; Batra, P.; /Columbia U.; Bugel, Leonard G.; /Columbia U.; Camilleri, Leslie Loris; /Columbia U.; Conrad, Janet Marie; /MIT; de Gouvea, A.; /Northwestern U.; Fisher, Peter H.; /MIT; Formaggio, Joseph Angelo; /MIT; Jenkins, J.; /Northwestern U.; Karagiorgi, Georgia S.; /MIT; Kobilarcik, T.R.; /Fermilab /Texas U.

    2009-06-01

    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 (PDFs). 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 parameterized 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.

  16. Studying the local structure of liquid in chloro- and alkyl-substituted benzene derivatives via the molecular scattering of light

    Science.gov (United States)

    Kargin, I. D.; Lanshina, L. V.; Abramovich, A. I.

    2017-09-01

    The coefficients of scattering and the depolarization of scattered light are measured in liquid benzene, chlorobenzene, o-dichlorobenzene, o-chlorotoluene, toluene, and o-xylene in the temperature range of 293‒368 K at a wavelength of 546 nm. Isothermic compressibility, internal pressure, and the functions of radial and orientational correlation are calculated for these liquids in the indicated temperature range, using the classical theory of molecular light scattering. We show that the local structure of these liquids is determined by orthogonal contacts between benzene rings (the T-configuration) and stacked (S-type) configurations. T-configurations predominate in benzene, chlorobenzene, and o-chlorotoluene, while toluene, o-xylene, and o-dichlorobenzene are characterized by S-configurations. It is also shown that the local structures of these liquids are reorganized in a certain temperature range.

  17. QCD Precision Measurements and Structure Function Extraction at a High Statistics, High Energy Neutrino Scattering Experiment:. NuSOnG

    Science.gov (United States)

    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.

  18. Study of betaine calcium chloride dihydrate (BCCD) by neutrons inelastic scattering; Etude du chlorure de betaine et de calcium dihydrate (BCCD) par diffusion inelastique de neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Hlinka, J.

    1995-06-27

    The aim of this work is to study the betaine calcium chloride dihydrate (BCCD) lattice dynamics by neutrons inelastic and coherent scattering. In the first part are summarized the main properties of the BCCD as they are determined in some previous experimental works. It has been more particularly emphasized on the structural and dynamical properties of this compound. The theoretical concepts used in incommensurate dielectric materials physics are given in the second part. They are at first introduced generally and then applied to BCCD. In the third part is described the experimental method used in this work : the neutrons inelastic scattering. The experimental results on the BCCD normal phase dynamics are then presented. These results and their interpretation allow to build up a semi-microscopic model introduced in the fifth part. The incommensurate lattice dynamics (at 20 K under the transition temperature towards the modulated phase) is studied in the last part. It has been shown that new aspects in relation to the previous works appear in BCCD. (O.L.). 121 refs., 25 figs., 5 tabs.

  19. Director Field Analysis (DFA): Exploring Local White Matter Geometric Structure in Diffusion MRI.

    Science.gov (United States)

    Cheng, Jian; Basser, Peter J

    2017-10-11

    In Diffusion Tensor Imaging (DTI) or High Angular Resolution Diffusion Imaging (HARDI), a tensor field or a spherical function field (e.g., an orientation distribution function field), can be estimated from measured diffusion weighted images. In this paper, inspired by the microscopic theoretical treatment of phases in liquid crystals, we introduce a novel mathematical framework, called Director Field Analysis (DFA), to study local geometric structural information of white matter based on the reconstructed tensor field or spherical function field: (1) We propose a set of mathematical tools to process general director data, which consists of dyadic tensors that have orientations but no direction. (2) We propose Orientational Order (OO) and Orientational Dispersion (OD) indices to describe the degree of alignment and dispersion of a spherical function in a single voxel or in a region, respectively; (3) We also show how to construct a local orthogonal coordinate frame in each voxel exhibiting anisotropic diffusion; (4) Finally, we define three indices to describe three types of orientational distortion (splay, bend, and twist) in a local spatial neighborhood, and a total distortion index to describe distortions of all three types. To our knowledge, this is the first work to quantitatively describe orientational distortion (splay, bend, and twist) in general spherical function fields from DTI or HARDI data. The proposed DFA and its related mathematical tools can be used to process not only diffusion MRI data but also general director field data, and the proposed scalar indices are useful for detecting local geometric changes of white matter for voxel-based or tract-based analysis in both DTI and HARDI acquisitions. The related codes and a tutorial for DFA will be released in DMRITool. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. Helium atom scattering from surfaces

    CERN Document Server

    1992-01-01

    High resolution helium atom scattering can be applied to study a number of interesting properties of solid surfaces with great sensitivity and accuracy. This book treats in detail experimental and theoretical aspects ofthis method as well as all current applications in surface science. The individual chapters - all written by experts in the field - are devoted to the investigation of surface structure, defect shapes and concentrations, the interaction potential, collective and localized surface vibrations at low energies, phase transitions and surface diffusion. Over the past decade helium atom scattering has gained widespread recognitionwithin the surface science community. Points in its favour are comprehensiveunderstanding of the scattering theory and the availability of well-tested approximation to the rigorous theory. This book will be invaluable to surface scientists wishing to make an informed judgement on the actual and potential capabilities of this technique and its results.

  1. Level lifetimes and the nuclear structure of 134,136Xe from inelastic neutron scattering

    Science.gov (United States)

    Peters, E. E.; Chakraborty, A.; Crider, B. P.; Ross, T. J.; Ashley, S. F.; Elhami, E.; Kumar, A.; Liu, S. H.; McEllistrem, M. T.; Mukhopadhyay, S.; Orce, J. N.; Prados-Estévez, F. M.; Yates, S. W.; Hicks, S. F.

    2017-09-01

    The level structures of 134,136Xe were studied with the inelastic neutron scattering reaction followed by γ-ray detection. Highly enriched solid XeF2 samples were used in the measurements. A number of level lifetimes were determined for the first time with the Doppler-shift attenuation method, and the low-lying excited states were characterized from this new spectroscopic information. In 134Xe, the third excited state, a tentative 0+ level, was verified. The 3- octupole phonon has been confirmed, and the complete negative-parity multiplet resulting from the ν (1h11 / 2 2d3 / 2) configuration has been tentatively identified for the first time in the N = 80 isotones. In 136Xe, a nucleus with a closed N = 82 neutron shell, several spins and parities of the states below 3 MeV in excitation energy have been firmly assigned for the first time, or have been re-assigned. New insights into the structures of these nuclei will be discussed. This material is based upon work supported by the U.S. National Science Foundation under Grant No. PHY-1606890.

  2. Synthesis of gold nanostars with fractal structure: application in surface-enhanced Raman scattering

    Science.gov (United States)

    Zhu, Jian; Liu, Mei-Jin; Li, Jian-Jun; Zhao, Jun-Wu

    2017-11-01

    Multi-branched gold nanostars with fractal feature were synthesized using the Triton X-100 participant seed-growth method. By increasing the amount of ascorbic acid, the branch length of gold nanostars could be greatly increased. It has been interesting to find that the secondary growth of new branches takes place from the elementary structure when the aspect ratio of the branches is greater than 8.0 and the corresponding plasmon absorption wavelength is greater than 900 nm. Raman activity of the gold nanostar films has been investigated by using the 4-mercaptobenzoic acid (4-MBA) as Raman active probe. Experimental results show that the surface-enhanced Raman scattering (SERS) ability of the gold nanostars could be efficiently improved when the fractal structure appears. The physical mechanism has been attributed to the intense increased secondary branch number and the increased "hot spots". These unique multi-branched gold nanostars with fractal feature and great SERS activity should have great potential in sensing applications.

  3. Morphological and structural characterization of PHBV/organoclay nanocomposites by small angle X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Carli, Larissa N., E-mail: lncarli@ucs.br [Instituto de Quimica, Universidade Federal do Rio Grande do Sul, Av. Bento Goncalves, 9500, Porto Alegre, 91501-970, RS (Brazil); Centro de Ciencias Exatas e Tecnologia, Universidade de Caxias do Sul, Rua Francisco Getulio Vargas, 1130, Caxias do Sul, 95070-560, RS (Brazil); Bianchi, Otavio, E-mail: obianchi@ucs.br [Centro de Ciencias Exatas e Tecnologia, Universidade de Caxias do Sul, Rua Francisco Getulio Vargas, 1130, Caxias do Sul, 95070-560, RS (Brazil); Machado, Giovanna, E-mail: giovannamachado@uol.com.br [Centro de Tecnologias Estrategicas do Nordeste, Av. Prof. Luiz Freire, 01, Cidade Universitaria, Recife, 50740-540, PE (Brazil); Programa de Pos-Graduacao de Materiais, Universidade Federal de Pernambuco, Av. Prof. Moraes Rego, 1235, Recife, 50670-901, PE (Brazil); Crespo, Janaina S., E-mail: jscrespo@ucs.br [Centro de Ciencias Exatas e Tecnologia, Universidade de Caxias do Sul, Rua Francisco Getulio Vargas, 1130, Caxias do Sul, 95070-560, RS (Brazil); Mauler, Raquel S., E-mail: raquel.mauler@ufrgs.br [Instituto de Quimica, Universidade Federal do Rio Grande do Sul, Av. Bento Goncalves, 9500, Porto Alegre, 91501-970, RS (Brazil)

    2013-03-01

    In this work, the morphological and structural behaviors of poly(hydroxybutyrate-co-hydroxyvalerate) (PHBV) nanocomposites were investigated using small angle X-ray scattering (SAXS), wide angle X-ray diffraction (WAXD) and transmission electron microscopy (TEM). The nanocomposites with 1, 3 and 5 wt.% of organically modified montmorillonite Cloisite Registered-Sign 30B (OMMT) were prepared by melt processing in a twin screw extruder using two different processing conditions (low and high shear intensity). The lamellar long period of the polymer was lower for the nanocomposites, with high polydispersity values. However, the crystalline thickness increased with the clay content and was independent of the processing conditions. This behavior resulted in a high linear crystallinity of the nanocomposites with 3 and 5 wt.% OMMT. The disruption factor ({beta}) was in agreement with the WAXD and TEM findings, indicating a good dispersion of the nanoparticles in the PHBV matrix with 3 wt.% of OMMT during the high shear intensity of melt processing. Highlights: Black-Right-Pointing-Pointer SAXS was used for morphological and crystalline studies of PHBV/OMMT nanocomposites. Black-Right-Pointing-Pointer The crystalline structure was influenced by the presence of clay. Black-Right-Pointing-Pointer The degree of clay dispersion in a polymer matrix was quantified. Black-Right-Pointing-Pointer The morphology comprised exfoliated particles, nanoscale and microscale clusters. Black-Right-Pointing-Pointer The results obtained by SAXS agreed well with TEM and WAXD results.

  4. Structural limitations of learning in a crowd: communication vulnerability and information diffusion in MOOCs

    CERN Document Server

    Gillani, Nabeel; Eynon, Rebecca; Hjorth, Isis

    2014-01-01

    Massive Open Online Courses (MOOCs) bring together a global crowd of thousands of learners for several weeks or months. In theory, the openness and scale of MOOCs can promote iterative dialogue that facilitates group cognition and knowledge construction. Using data from two successive instances of a popular business strategy MOOC, we filter observed communication patterns to arrive at the "significant" interaction networks between learners and use complex network analysis to explore the vulnerability and information diffusion potential of the discussion forums. We find that different discussion topics and pedagogical practices promote varying levels of 1) "significant" peer-to-peer engagement, 2) participant inclusiveness in dialogue, and ultimately, 3) modularity, which impacts information diffusion to prevent a truly "global" exchange of knowledge and learning. These results indicate the structural limitations of large-scale crowd-based learning and highlight the different ways that learners in MOOCs levera...

  5. Three-scale structure of diffusion region in the presence of cold ions

    Science.gov (United States)

    Divin, A.; Khotyaintsev, Yu. V.; Vaivads, A.; André, M.; Toledo-Redondo, S.; Markidis, S.; Lapenta, G.

    2016-12-01

    Kinetic simulations and spacecraft observations typically display the two-scale structure of collisionless diffusion region (DR), with electron and ion demagnetization scales governing the spatial extent of the DR. Recent in situ observations of the nightside magnetosphere, as well as investigation of magnetic reconnection events at the Earth's magnetopause, discovered the presence of a population of cold (tens of eV) ions of ionospheric origin. We present two-dimensional particle-in-cell simulations of collisionless magnetic reconnection in multicomponent plasma with ions consisting of hot and cold populations. We show that a new cold ion diffusion region scale is introduced in between that of hot ions and electrons. Demagnetization scale of cold ion population is several times (˜4-8) larger than the initial cold ion gyroradius. Cold ions are accelerated and thermalized during magnetic reconnection and form ion beams moving with velocities close to the Alfvén velocity.

  6. Hole-interface optical phonon scattering rate in GaAs/AlGaAs quantum-well structures

    CERN Document Server

    Kim, C H; Han, B H; Jeon, Y H

    2000-01-01

    The hole-interface optical phonon scattering rate for GaAs/AlGaAs quantum-well structures is investigated, taking into account valence-band mixing. The dispersion relation and the electrostatic potentials for the interface optical phonon modes are obtained based on the macroscopic dielectric continuum model. For the valence-band structure, the Luttinger-Kohn Hamiltonian is used. The hole-interface optical phonon scattering rate is evaluated using Fermi's golden rule taking into account the Bloch overlap factor. Our results show that the intrasubband and the intersubband transitions occur by antisymmetric and symmetric interface phonon modes, respectively, due to band-mixing. It is also found that the intersubband scattering rate from the ground light and spin-orbit hole (LS1) to the ground heavy hole (HH1) subband is larger than the intrasubband scattering rate in the low-energy region. Thus, intersubband scattering by longitudinal optical (LO) interface phonons in 50-A-thick GaAs/Al sub 0 sub . sub 3 Ga sub ...

  7. Enhanced anisotropic ionic diffusion in layered electrolyte structures from density functional theory

    Science.gov (United States)

    Hirschfeld, J. A.; Lustfeld, H.

    2014-01-01

    Electrolytes with high ionic diffusivity at temperatures distinctively lower than the presently used ones are the prerequisite for the success of, e.g., solid oxide fuel cells. We have found a promising structure having an asymmetric but superior ionic mobility in the direction of the oxygen-ion current. Using a layering of zirconium and yttrium in the fluorite structure of zirconia, a high vacancy concentration and a low migration barrier in two dimensions are obtained, while the mobility in the third direction is basically sacrificed. According to our density functional theory calculations an electrolyte made of this structure could operate at a temperature reduced by ≈200∘C. Thus a window to a different class of electrolytes has been flung open. In our structure the price paid is a more complicated manufacturing method.

  8. Automated Computer-Based Facility for Measurement of Near-Field Structure of Microwave Radiators and Scatterers

    DEFF Research Database (Denmark)

    Mishra, Shantnu R.;; Pavlasek, Tomas J. F.;; Muresan, Letitia V.

    1980-01-01

    An automatic facility for measuring the three-dimensional structure of the near fields of microwave radiators and scatterers is described. The amplitude and phase for different polarization components can be recorded in analog and digital form using a microprocessor-based system. The stored data...

  9. Structure and dynamics of polyelectrolyte complex coacervates studied by scattering of neutrons, X-rays, and light

    NARCIS (Netherlands)

    Spruijt, E.; Leermakers, F.A.M.; Fokkink, R.G.; Schweins, R.; Well, van A.A.; Cohen Stuart, M.A.; Gucht, van der J.

    2013-01-01

    We investigate the microscopic structure and density fluctuations of complex coacervates of flexible polyelectrolytes using scattering of neutrons, X-rays, and light. Poly(acrylic acid) and poly(N,N-dimethylaminoethyl methacrylate) offer a well-defined model system that allows for selective labeling

  10. X-ray and light scattering study of the structure of large protein aggregates at neutral pH

    NARCIS (Netherlands)

    Pouzot, M.; Nicolai, T.; Visschers, R.W.; Weijers, M.

    2005-01-01

    The structure of large ovalbumin and ß-lactoglobulin aggregates formed after heat-denaturation at neutral pH was studied using a combination of light and small-angle X-ray scattering. The effect of the electrostatic interactions was investigated by varying the ionic strength. The results were

  11. Dipolar structures in magnetite ferrofluids studied with small-angle neutron scattering with and without applied magnetic field

    NARCIS (Netherlands)

    Klokkenburg, M.; Erne, B.H.; Wiedenmann, A.; Petukhov, A.V.; Philipse, A.P.

    2007-01-01

    Field-induced structure formation in a ferrofluid with well-defined magnetite nanoparticles with a permanent magnetic dipole moment was studied with small-angle neutron scattering (SANS) as a function of the magnetic interactions. The interactions were tuned by adjusting the size of the

  12. Search for high excitation energy structures in 90Zr and 208Pb, via 20Ne inelastic scattering

    NARCIS (Netherlands)

    Fortier, S.; Gales, S.; Austin, Sam M.; Benenson, W.; Crawley, G.M.; Djalali, C.; Lee, J.H.; Plicht, J. van der; Winfield, J.S.

    1987-01-01

    The inelastic scattering of 20Ne on 90Zr and 208Pb has been studied at 500 and 600 MeV incident energies. High statistics spectra were measured at the grazing angle. For each target, spectra at the two incident energies were compared by means of cross correlation analysis. Structures were observed

  13. Structure and Dynamics of Confined C-O-H Fluids Relevant to the Subsurface: Application of Magnetic Resonance, Neutron Scattering and Molecular Dynamics Simulations

    Science.gov (United States)

    Gautam, Siddharth S.; Ok, Salim; Cole, David R.

    2017-06-01

    Geo-fluids consisting of C-O-H volatiles are the main mode of transport of mass and energy throughout the lithosphere and are commonly found confined in pores, grain boundaries and fractures. The confinement of these fluids by porous media at the length scales of a few nanometers gives rise to numerous physical and chemical properties that deviate from the bulk behavior. Studying the structural and dynamical properties of these confined fluids at the length and time scales of nanometers and picoseconds respectively forms an important component of understanding their behavior. To study confined fluids, non-destructive penetrative probes are needed. Nuclear magnetic resonance (NMR) by virtue of its ability to monitor longitudinal and transverse magnetization relaxations of spins, and chemical shifts brought about by the chemical environment of a nucleus, and measuring diffusion coefficient provides a good opportunity to study dynamics and chemical structure at the molecular length and time scales. Another technique that gives insights into the dynamics and structure at these length and time scales is neutron scattering (NS). This is because the wavelength and energies of cold and thermal neutrons used in scattering experiments are in the same range as the spatial features and energies involved in the dynamical processes occurring at the molecular level. Molecular Dynamics (MD) simulations on the other hand help with the interpretation of the NMR and NS data. Simulations can also supplement the experiments by calculating quantities not easily accessible to experiments. Thus using NMR, NS and MD simulations in conjunction, a complete description of the molecular structure and dynamics of confined geo-fluids can be obtained. In the current review, our aim is to show how a synergistic use of these three techniques has helped shed light on the complex behavior of water, CO2, and low molecular weight hydrocarbons. After summarizing the theoretical backgrounds of the

  14. Molecular structure effects on the post irradiation diffusion in polymer gel dosimeters

    Energy Technology Data Exchange (ETDEWEB)

    Mattea, F.; Romero, M.; Strumia, M. [Instituto Multidisciplinario de Biologia Vegetal / CONICET, Universidad Nacional de Cordoba, Departamento de Quimica Organica, Ciudad Universitaria, 5000 Cordoba (Argentina); Vedelago, J. [Laboratorio de Investigaciones e Instrumentacion en Fisica Aplicada a la Medicina e Imagenes por Rayos X, Laboratorio 448 FaMAF - UNC, Ciudad Universitaria, 5000 Cordoba (Argentina); Quiroga, A. [Centro de Investigacion y Estudios de Matematica / CONICET, Oficina 318 FaMAF - UNC, Ciudad Universitaria, 5000 Cordoba (Argentina); Valente, M., E-mail: fmattea@gmail.com [Instituto de Fisica E. Gaviola / CONICET, LIIFAMIRx, Oficina 102 FaMAF - UNC, 5000 Cordoba (Argentina)

    2014-08-15

    Polymer gel dosimeters have specific advantages for recording 3D radiation dose distribution representing a key factor for most of the therapeutic and diagnostic radiation techniques. Radiation-induced polymerization and crosslinking reactions that take place in the dosimeter have been studied for different monomers like acrylamide and N,N-methylene-bis acrylamide (Bis) and most recently for less toxic monomers like N-isopropylacrylamide and Bis. In this work a novel system based on itaconic acid and Bis is proposed, the radical polymerization or gel formation of these monomers has been already studied for the formation of an hydrogel for non dosimetric applications and their reactivity are comparable with the already mentioned systems. Although the 3D structure is maintained after the dosimeter has been irradiated, it is not possible to eliminate the diffusion of the reacted and monomer species in regions of dose gradients within the gel after irradiation. As a consequence the dose information of the dosimeters loose quality over time. The mobility within the gelatin structure of the already mentioned species is related to their chemical structure, and nature. In this work the effect of changes in the chemical structure of the monomers over the dosimetric sensitivity and over the post-irradiation diffusion of species is studied. One of the acrylic acid groups of the itaconic acid molecule is modified to obtain molecules with similar reactivity but different molecular sizes. Dosimetric systems with these modified species, Bis, an antioxidant to avoid oxygen polymerization inhibition, water and gelatin are irradiated in an X-ray tomography at different doses, and the resulting dosimeters are characterized by Raman spectroscopy and optical absorbance to study their feasibility and capabilities as dosimetric systems, and by optical-CT to analyze the diffusion degree after being irradiated. (Author)

  15. Simulation of complete neutron scattering experiments: from model systems to liquid germanium; Simulation complete d'une experience de diffusion de neutrons: des systemes modeles au germanium liquide

    Energy Technology Data Exchange (ETDEWEB)

    Hugouvieux, V

    2004-11-15

    In this thesis, both theoretical and experimental studies of liquids are done. Neutron scattering enables structural and dynamical properties of liquids to be investigated. On the theoretical side, molecular dynamics simulations are of great interest since they give positions and velocities of the atoms and the forces acting on each of them. They also enable spatial and temporal correlations to be computed and these quantities are also available from neutron scattering experiments. Consequently, the comparison can be made between results from molecular dynamics simulations and from neutron scattering experiments, in order to improve our understanding of the structure and dynamics of liquids. However, since extracting reliable data from a neutron scattering experiment is difficult, we propose to simulate the experiment as a whole, including both instrument and sample, in order to gain understanding and to evaluate the impact of the different parasitic contributions (absorption, multiple scattering associated with elastic and inelastic scattering, instrument resolution). This approach, in which the sample is described by its structure and dynamics as computed from molecular dynamics simulations, is presented and tested on isotropic model systems. Then liquid germanium is investigated by inelastic neutron scattering and both classical and ab initio molecular dynamics simulations. This enables us to simulate the experiment we performed and to evaluate the influence of the contributions from the instrument and from the sample on the detected signal. (author)

  16. Measurement of the Proton Structure Function $F_{2}$ at low $Q^{2}$ in QED Compton Scattering at HERA

    CERN Document Server

    Aktas, A.; Anthonis, T.; Asmone, A.; Babaev, A.; Backovic, S.; Bahr, J.; Baranov, P.; Barrelet, E.; Bartel, W.; Baumgartner, S.; Becker, J.; Beckingham, M.; Behnke, O.; Behrendt, O.; Belousov, A.; Berger, Ch.; Berger, N.; Berndt, T.; Bizot, J.C.; Bohme, J.; Boenig, M.-O.; Boudry, V.; Bracinik, J.; Brisson, V.; Broker, H.-B.; Brown, D.P.; Bruncko, D.; Busser, F.W.; Bunyatyan, A.; Buschhorn, G.; Bystritskaya, L.; Campbell, A.J.; Caron, S.; Cassol-Brunner, F.; Cerny, K.; Chekelian, V.; Collard, C.; Contreras, J.G.; Coppens, Y.R.; Coughlan, J.A.; Cox, B.E.; Cozzika, G.; Cvach, J.; Dainton, J.B.; Dau, W.D.; Daum, K.; Delcourt, B.; Demirchyan, R.; De Roeck, A.; Desch, K.; De Wolf, E.A.; Diaconu, C.; Dingfelder, J.; Dodonov, V.; Dubak, A.; Duprel, C.; Eckerlin, Guenter; Efremenko, V.; Egli, S.; Eichler, R.; Eisele, F.; Ellerbrock, M.; Elsen, E.; Erdmann, M.; Erdmann, W.; Faulkner, P.J.W.; Favart, L.; Fedotov, A.; Felst, R.; Ferencei, J.; Fleischer, M.; Fleischmann, P.; Fleming, Y.H.; Flucke, G.; Flugge, G.; Fomenko, A.; Foresti, I.; Formanek, J.; Franke, G.; Frising, G.; Gabathuler, E.; Gabathuler, K.; Garutti, E.; Garvey, J.; Gayler, J.; Gerhards, R.; Gerlich, C.; Ghazaryan, Samvel; Goerlich, L.; Gogitidze, N.; Gorbounov, S.; Grab, C.; Grassler, H.; Greenshaw, T.; Gregori, M.; Grindhammer, Guenter; Gwilliam, C.; Haidt, D.; Hajduk, L.; Haller, J.; Hansson, M.; Heinzelmann, G.; Henderson, R.C.W.; Henschel, H.; Henshaw, O.; Heremans, R.; Herrera, G.; Herynek, I.; Heuer, R.-D.; Hildebrandt, M.; Hiller, K.H.; Hoting, P.; Hoffmann, D.; Horisberger, R.; Hovhannisyan, A.; Ibbotson, M.; Ismail, M.; Jacquet, M.; Janauschek, L.; Janssen, X.; Jemanov, V.; Jonsson, L.; Johnson, D.P.; Jung, H.; Kant, D.; Kapichine, M.; Karlsson, M.; Katzy, J.; Keller, N.; Kennedy, J.; Kenyon, I.R.; Kiesling, Christian M.; Klein, M.; Kleinwort, C.; Klimkovich, T.; Kluge, T.; Knies, G.; Knutsson, A.; Koblitz, B.; Korbel, V.; Kostka, P.; Koutouev, R.; Kropivnitskaya, A.; Kroseberg, J.; Kuckens, J.; Kuhr, T.; Landon, M.P.J.; Lange, W.; Lastovicka, T.; Laycock, P.; Lebedev, A.; Leiner, B.; Lemrani, R.; Lendermann, V.; Levonian, S.; Lindfeld, L.; Lipka, K.; List, B.; Lobodzinska, E.; Loktionova, N.; Lopez-Fernandez, R.; Lubimov, V.; Lueders, H.; Luke, D.; Lux, T.; Lytkin, L.; Makankine, A.; Malden, N.; Malinovski, E.; Mangano, S.; Marage, P.; Marks, J.; Marshall, R.; Martisikova, M.; Martyn, H.-U.; Maxfield, S.J.; Meer, D.; Mehta, A.; Meier, K.; Meyer, A.B.; Meyer, H.; Meyer, J.; Michine, S.; Mikocki, S.; Milcewicz-Mika, I.; Milstead, D.; Mohamed, A.; Moreau, F.; Morozov, A.; Morozov, I.; Morris, J.V.; Mozer, Matthias Ulrich; Muller, K.; Murin, P.; Nagovizin, V.; Naroska, B.; Naumann, J.; Naumann, Th.; Newman, Paul R.; Niebuhr, C.; Nikiforov, A.; Nikitin, D.; Nowak, G.; Nozicka, M.; Oganezov, R.; Olivier, B.; Olsson, J.E.; Ossoskov, G.; Ozerov, D.; Pascaud, C.; Patel, G.D.; Peez, M.; Perez, E.; Perieanu, A.; Petrukhin, A.; Pitzl, D.; Placakyte, R.; Poschl, R.; Portheault, B.; Povh, B.; Raicevic, N.; Ratiani, Z.; Reimer, P.; Reisert, B.; Rimmer, A.; Risler, C.; Rizvi, E.; Robmann, P.; Roland, B.; Roosen, R.; Rostovtsev, A.; Rurikova, Z.; Rusakov, S.; Rybicki, K.; Sankey, D.P.C.; Sauvan, E.; Schatzel, S.; Scheins, J.; Schilling, F.-P.; Schleper, P.; Schmidt, S.; Schmitt, S.; Schneider, M.; Schoeffel, L.; Schoning, A.; Schroder, V.; Schultz-Coulon, H.-C.; Schwanenberger, C.; Sedlak, K.; Sefkow, F.; Sheviakov, I.; Shtarkov, L.N.; Sirois, Y.; Sloan, T.; Smirnov, P.; Soloviev, Y.; South, D.; Spaskov, V.; Specka, Arnd E.; Spitzer, H.; Stamen, R.; Stella, B.; Stiewe, J.; Strauch, I.; Straumann, U.; Tchoulakov, V.; Thompson, Graham; Thompson, P.D.; Tomasz, F.; Traynor, D.; Truoel, Peter; Tsipolitis, G.; Tsurin, I.; Turnau, J.; Tzamariudaki, E.; Uraev, A.; Urban, Marcel; Usik, A.; Utkin, D.; Valkar, S.; Valkarova, A.; Vallee, C.; Van Mechelen, P.; Van Remortel, N.; Vargas Trevino, A.; Vazdik, Y.; Veelken, C.; Vest, A.; Vinokurova, S.; Volchinski, V.; Wacker, K.; Wagner, J.; Weber, G.; Weber, R.; Wegener, D.; Werner, C.; Werner, N.; Wessels, M.; Wessling, B.; Winter, G.-G.; Wissing, Ch.; Woehrling, E.-E.; Wolf, R.; Wunsch, E.; Xella, S.; Yan, W.; Yeganov, V.; Zacek, J.; Zalesak, J.; Zhang, Z.; Zhokin, A.; Zohrabyan, H.; Zomer, F.

    2004-01-01

    The proton structure function F_2(x,Q^2) is measured in inelastic QED Compton scattering using data collected with the H1 detector at HERA. QED Compton events are used to access the kinematic range of very low virtualities of the exchanged photon, Q^2, down to 0.5 GeV^2, and Bjorken x up to \\sim 0.06, a region which has not been covered previously by inclusive measurements at HERA. The results are in agreement with the measurements from fixed target lepton-nucleon scattering experiments.

  17. Myelin structure is a key difference in the x-ray scattering signature between meningioma, schwannoma and glioblastoma multiforme

    Energy Technology Data Exchange (ETDEWEB)

    Falzon, G [Physics and Electronics, School of Biological, Biomedical and Molecular Sciences, University of New England, Armidale, NSW 2351 (Australia); Pearson, S [Physics and Electronics, School of Biological, Biomedical and Molecular Sciences, University of New England, Armidale, NSW 2351 (Australia); Murison, R [School of Mathematics, Statistics and Computer Science, University of New England, Armidale, NSW 2351 (Australia); Hall, C [School of Physics, Monash University, Victoria 3800 (Australia); Siu, K [School of Physics, Monash University, Victoria 3800 (Australia); Round, A [European Molecular Biology Laboratory, Hamburg Outstation, Notkestrasse 85, 22603 Hamburg (Germany); Schueltke, E [Division of Neurosurgery, University of Sakatchewan, Saskatoon S7N 5E5 (Canada); Kaye, A H [Department of Surgery, University of Melbourne, Parkville, 3050 (Australia); Lewis, R [Monash Centre for Synchrotron Science, Monash University, Victoria 3800 (Australia)

    2007-11-07

    Small angle x-ray scattering (SAXS) patterns of benign and malignant brain tumour tissue were examined. Independent component analysis was used to find a feature set representing the images collected. A set of coefficients was then used to describe each image, which allowed the use of the statistical technique of flexible discriminant analysis to discover a hidden order in the data set. The key difference was found to be in the intensity and spectral content of the second and fourth order myelin scattering peaks. This has clearly demonstrated that significant differences in the structure of myelin exist in the highly malignant glioblastoma multiforme as opposed to the benign: meningioma and schwannoma.

  18. Analysis of the aggregation structure from amphiphilic block copolymers in solutions by small-angle x-ray scattering

    CERN Document Server

    Rong Li Xia; Wang Jun; Wei Liu He; Li Fu Mian; Li Zi Chen

    2002-01-01

    The aggregation structure of polystyrene-p vinyl benzoic amphiphilic block copolymers which were prepared in different conditions was investigated by synchrotron radiation small-angle x-ray scattering (SAXS). The micelle was self-assembled in selective solvents of the block copolymers. Authors' results demonstrate that the structure of the micelle depends on the factors, such as the composition of the copolymers, the nature of the solvent and the concentration of the solution

  19. Experimental and numerical investigation of fuel mixing effects on soot structures in counterflow diffusion flames

    KAUST Repository

    Choi, Byungchul

    2011-03-26

    Experimental and numerical analyses of laminar diffusion flames were performed to identify the effect of fuel mixing on soot formation in a counterflow burner. In this experiment, the volume fraction, number density, and particle size of soot were investigated using light extinction/scattering systems. The experimental results showed that the synergistic effect of an ethylene-propane flame is appreciable. Numerical simulations showed that the benzene (C6H6) concentration in mixture flames was higher than in ethylene-base flames because of the increase in the concentration of propargyl radicals. Methyl radicals were found to play an important role in the formation of propargyl, and the recombination of propargyl with benzene was found to lead to an increase in the number density for cases exhibiting synergistic effects. These results imply that methyl radicals play an important role in soot formation, particularly with regard to the number density. © 2011 The Korean Society of Automotive Engineers and Springer-Verlag Berlin Heidelberg.

  20. Structural and diffusion effects in the Dutch fertility transition, 1870-1940

    Directory of Open Access Journals (Sweden)

    Hilde Bras

    2014-01-01

    Full Text Available Background: Ever since the Princeton European Fertility Project, structural and diffusion effects on fertility behavior have been juxtaposed. However, we still hardly know what the relative effects were of shifting socio-economic conditions and shifts in sociability in explaining the historical fertility decline. Objective: To what extent and how did structural and diffusion effects play a role in the adoption of fertility control in the Dutch historical fertility transition? Methods: A national data set was used with more than 3,000 maternity histories of married Dutch women aged 15-50, whose reproductive careers took place between 1870 and 1940. Apart from husbands' occupations, characteristics of the set of couples' marriage witnesses were included to measure their social networks. Cox regression analyses of age at last birth and negative binomial regressions of net family size were conducted. Results: Results indicate that unskilled laborers and farm laborers were laggards in the practice of fertility control during the Dutch fertility transition. Besides SES differentials, differences in couples' social networks were important in explaining fertility behavior. Those who had networks consisting of lateral kin, age peers, and people of urban background stopped childbearing earlier and had smaller families than other couples did. Particularly the presence of lateral kin of the bride and of female witnesses was strongly associated with smaller family size. Conclusions: The evidence lends support for so-called "blended diffusion models" and suggests that the fertility transition must be understood as much from the viewpoint of changed cost-benefit calculations related to structural changes, as from shifting patterns of sociability associated with the decline of patriarchy and the increasing lateralization and age homophily of people's social networks.

  1. Extraction of optical scattering parameters and attenuation compensation in optical coherence tomography images of multi-layered tissue structures

    DEFF Research Database (Denmark)

    Thrane, Lars; Frosz, Michael Henoch; Tycho, Andreas

    2004-01-01

    A recently developed analytical optical coherence tomography (OCT) model [Thrane et al., J. Opt. Soc. Am. A 17, 484 (2000)] allows the extraction of optical scattering parameters from OCT images, thereby permitting attenuation compensation in those images. By expanding this theoretical model, we...... have developed a new method for extracting optical scattering parameters from multilayered tissue structures in vivo. To verify this, we used a Monte Carlo (MC) OCT model as a numerical phantom to simulate the OCT signal for het-erogeneous multilayered tissue. Excellent agreement between the extracted...... values of the optical scattering properties of the different layers and the corresponding input reference values of the MC simulation was obtained, which demonstrates the feasibility of the method for in vivo applications. This is to our knowledge the first time such verification has been obtained...

  2. Fractional diffusion models of cardiac electrical propagation: role of structural heterogeneity in dispersion of repolarization.

    Science.gov (United States)

    Bueno-Orovio, Alfonso; Kay, David; Grau, Vicente; Rodriguez, Blanca; Burrage, Kevin

    2014-08-06

    Impulse propagation in biological tissues is known to be modulated by structural heterogeneity. In cardiac muscle, improved understanding on how this heterogeneity influences electrical spread is key to advancing our interpretation of dispersion of repolarization. We propose fractional diffusion models as a novel mathematical description of structurally heterogeneous excitable media, as a means of representing the modulation of the total electric field by the secondary electrical sources associated with tissue inhomogeneities. Our results, analysed against in vivo human recordings and experimental data of different animal species, indicate that structural heterogeneity underlies relevant characteristics of cardiac electrical propagation at tissue level. These include conduction effects on action potential (AP) morphology, the shortening of AP duration along the activation pathway and the progressive modulation by premature beats of spatial patterns of dispersion of repolarization. The proposed approach may also have important implications in other research fields involving excitable complex media.

  3. Spin structure of the proton from polarized inclusive deep-inelastic muon-proton scattering

    CERN Document Server

    Adams, D.; Arik, E.; Arvidson, A.; Badelek, B.; Ballintijn, M.K.; Bardin, G.; Baum, Guenter; Berglund, P.; Betev, L.; Bird, I.G.; Birsa, R.; Bjorkholm, P.; Bonner, B.E.; de Botton, N.; Boutemeur, M.; Bradamante, F.; Bravar, A.; Bressan, A.; Bueltmann, Stephen L.; Burtin, E.; Cavata, C.; Crabb, D.; Cranshaw, J.; Cuhadar, T.; Dalla Torre, S.; van Dantzig, R.; Derro, B.; Deshpande, A.; Dhawan, S.; Dulya, C.; Dyring, A.; Eichblatt, S.; Faivre, J.C.; Fasching, D.; Feinstein, F.; Fernandez, C.; Frois, B.; Gallas, A.; Garzon, J.A.; Gaussiran, T.; Giorgi, M.; von Goeler, E.; Gracia, G.; de Groot, N.; Grosse Perdekamp, M.; Gulmez, Erhan; von Harrach, D.; Hasegawa, T.; Hautle, P.; Hayashi, N.; Heusch, C.A.; Horikawa, N.; Hughes, V.W.; Igo, G.; Ishimoto, S.; Iwata, T.; Kabuss, E.M.; Karev, A.; Kessler, H.J.; Ketel, T.J.; Kishi, A.; Kiselev, Yu.; Klostermann, L.; Kramer, D.; Krivokhijine, V.; Kroger, W.; Kurek, K.; Kyynarainen, J.; Lamanna, M.; Landgraf, U.; Layda, T.; Le Goff, J.M.; Lehar, F.; de Lesquen, A.; Lichtenstadt, J.; Lindqvist, T.; Litmaath, M.; Lowe, M.; Magnon, A.; Mallot, G.K.; Marie, F.; Martin, A.; Martino, J.; Matsuda, T.; Mayes, B.; McCarthy, J.S.; Medved, K.; van Middelkoop, G.; Miller, D.; Mori, K.; Moromisato, J.; Nagaitsev, A.; Nassalski, J.; Naumann, L.; Niinikoski, T.O.; Oberski, J.E.J.; Ogawa, A.; Ozben, C.; Parks, D.P.; Penzo, A.; Kunne, F.; Peshekhonov, D.; Piegaia, R.; Pinsky, Lawrence S.; Platchkov, S.; Plo, M.; Pose, D.; Postma, H.; Pretz, J.; Pussieux, T.; Pyrlik, J.; Reyhancan, I.; Rijllart, A.; Roberts, J.B.; Rock, S.; Rodriguez, M.; Rondio, E.; Rosado, A.; Sabo, I.; Saborido, J.; Sandacz, A.; Savin, Igor A.; Schiavon, P.; Schuler, K.P.; Segel, R.; Seitz, R.; Semertzidis, Y.; Sever, F.; Shanahan, P.; Sichtermann, E.P.; Simeoni, F.; Smirnov, G.I.; Staude, A.; Steinmetz, A.; Stiegler, U.; Stuhrmann, H.; Szleper, M.; Teichert, K.M.; Tessarotto, F.; Tlaczala, W.; Trentalange, S.; Unel, G.; Velasco, M.; Vogt, J.; Voss, R.; Weinstein, R.; Whitten, C.; Windmolders, R.; Willumeit, R.; Wislicki, W.; Witzmann, A.; Zanetti, A.M.; Zaremba, K.; Zhao, J.

    1997-01-01

    We have measured the spin-dependent structure function $g_1^{\\rm p}$ in inclusive deep-inelastic scattering of polarized muons off polarized protons, in the kinematic range $0.003 < x < 0.7$ and $1\\gevtwo < Q^2 < 60\\gevtwo$. A next-to-leading order QCD analysis is used to evolve the measured $\\gpone(x,Q^2)$ to a fixed $Q^2_0$. The first moment of $\\gpone$ at $Q^2_0 = 10\\gevtwo$ is $\\gammap = 0.136\\pm 0.013 \\,(\\mbox{stat.}) \\pm 0.009\\,(\\mbox{syst.})\\pm 0.005\\ (\\mbox{evol.})$. This result is below the prediction of the Ellis--Jaffe sum rule by more than two standard deviations. The singlet axial charge $\\dsigt$ is found to be $0.28 \\pm 0.16$. In the Adler--Bardeen factorization scheme, $\\Delta g \\simeq 2$ is required to bring $\\Delta \\Sigma$ in agreement with the Quark-Parton Model. A combined analysis of all available proton and deuteron data confirms the Bjorken sum rule.

  4. Light penetration structures the deep acoustic scattering layers in the global ocean.

    KAUST Repository

    Aksnes, Dag L.

    2017-05-01

    The deep scattering layer (DSL) is a ubiquitous acoustic signature found across all oceans and arguably the dominant feature structuring the pelagic open ocean ecosystem. It is formed by mesopelagic fishes and pelagic invertebrates. The DSL animals are an important food source for marine megafauna and contribute to the biological carbon pump through the active flux of organic carbon transported in their daily vertical migrations. They occupy depths from 200 to 1000 m at daytime and migrate to a varying degree into surface waters at nighttime. Their daytime depth, which determines the migration amplitude, varies across the global ocean in concert with water mass properties, in particular the oxygen regime, but the causal underpinning of these correlations has been unclear. We present evidence that the broad variability in the oceanic DSL daytime depth observed during the Malaspina 2010 Circumnavigation Expedition is governed by variation in light penetration. We find that the DSL depth distribution conforms to a common optical depth layer across the global ocean and that a correlation between dissolved oxygen and light penetration provides a parsimonious explanation for the association of shallow DSL distributions with hypoxic waters. In enhancing understanding of this phenomenon, our results should improve the ability to predict and model the dynamics of one of the largest animal biomass components on earth, with key roles in the oceanic biological carbon pump and food web.

  5. Coherent scatter-controlled phase-change grating structures in silicon using femtosecond laser pulses.

    Science.gov (United States)

    Fuentes-Edfuf, Yasser; Garcia-Lechuga, Mario; Puerto, Daniel; Florian, Camilo; Garcia-Leis, Adianez; Sanchez-Cortes, Santiago; Solis, Javier; Siegel, Jan

    2017-07-04

    Periodic structures of alternating amorphous-crystalline fringes have been fabricated in silicon using repetitive femtosecond laser exposure (800 nm wavelength and 120 fs duration). The method is based on the interference of the incident laser light with far- and near-field scattered light, leading to local melting at the interference maxima, as demonstrated by femtosecond microscopy. Exploiting this strategy, lines of highly regular amorphous fringes can be written. The fringes have been characterized in detail using optical microscopy combined modelling, which enables a determination of the three-dimensional shape of individual fringes. 2D micro-Raman spectroscopy reveals that the space between amorphous fringes remains crystalline. We demonstrate that the fringe period can be tuned over a range of 410 nm - 13 µm by changing the angle of incidence and inverting the beam scan direction. Fine control over the lateral dimensions, thickness, surface depression and optical contrast of the fringes is obtained via adjustment of pulse number, fluence and spot size. Large-area, highly homogeneous gratings composed of amorphous fringes with micrometer width and millimeter length can readily be fabricated. The here presented fabrication technique is expected to have applications in the fields of optics, nanoelectronics, and mechatronics and should be applicable to other materials.

  6. Structural, optical and Raman scattering studies on DC magnetron sputtered titanium dioxide thin films

    Energy Technology Data Exchange (ETDEWEB)

    Karunagaran, B.; Kim, Kyunghae; Mangalaraj, D.; Yi, Junsin [School of Information and Communication Engineering, Sungkyunkwan University, Chunchun-dong, Jangan-gu, Suwon 440-476 (Korea, Republic of); Velumani, S. [Coordinacion de Investigacion y Desarrollo de Ductos, IMP, Eje Central Lazaro Cardenas 152, D.F., C.P.07720 (Mexico)

    2005-07-15

    Thin films of TiO{sub 2} were deposited by DC magnetron sputtering. The thicknesses of the films were measured using alpha step profilometer technique. Auger electron spectroscopy (AES) is used to determine the composition of the films. The influence of post-deposition annealing at 673 and 773K on the structural, optical and Raman scattering was studied. The thicknesses of the films were found to be more or less the same irrespective of the annealing temperature and time. XRD results reveal the amorphous nature of the as-deposited film while the annealed samples were found to be crystalline with a tetragonal symmetry. Using the optical transmittance method, the optical constants such as band gap, refractive index and absorption coefficient were calculated and the influence of thermal annealing on these properties was reported. Raman study was employed to study the existence of different frequency modes and improvement of crystallinity of the TiO{sub 2} films and the effect of annealing temperature on the Raman shift is studied and reported.

  7. Mass Conservation in Modeling Moisture Diffusion in Multi-Layer Carbon Composite Structures

    Science.gov (United States)

    Nurge, Mark A.; Youngquist, Robert C.; Starr, Stanley O.

    2009-01-01

    Moisture diffusion in multi-layer carbon composite structures is difficult to model using finite difference methods due to the discontinuity in concentrations between adjacent layers of differing materials. Applying a mass conserving approach at these boundaries proved to be effective at accurately predicting moisture uptake for a sample exposed to a fixed temperature and relative humidity. Details of the model developed are presented and compared with actual moisture uptake data gathered over 130 days from a graphite epoxy composite sandwich coupon with a Rohacell foam core.

  8. Structure and properties of nitrocarburized diffusion layers generated on high-speed steels

    Science.gov (United States)

    Babul, Tomasz; Nakonieczny, Aleksander; Senatorski, Jan; Kucharieva, Natalia

    2003-12-01

    This work analyzes the structure and properties of nitrocarburized diffusion cases generated on M2 type high-speed and 321 stainless steels in a thermochemical. Application of variable process temperatures in the range of 450 600 °C and a variable process duration (2 6 h) enabled observation of growth kinetics of the layers on tested steel grades. Evaluation of properties of the cases obtained comprised hardness measurements and wear tests, carried out by the 3 cylinder-cone method. The evaluation showed that the nitrocarburizing process developed for high-speed and stainless steels yields hard surface layers with beneficial functional properties.

  9. Bifurcation analysis of a spruce budworm model with diffusion and physiological structures

    Science.gov (United States)

    Xu, Xiaofeng; Wei, Junjie

    2017-05-01

    In this paper, the dynamics of a spruce budworm model with diffusion and physiological structures are investigated. The stability of steady state and the existence of Hopf bifurcation near positive steady state are investigated by analyzing the distribution of eigenvalues. The properties of Hopf bifurcation are determined by the normal form theory and center manifold reduction for partial functional differential equations. And global existence of periodic solutions is established by using the global Hopf bifurcation result of Wu. Finally, some numerical simulations are carried out to illustrate the analytical results.

  10. Multiple Volume Scattering in Random Media and Periodic Structures with Applications in Microwave Remote Sensing and Wave Functional Materials

    Science.gov (United States)

    Tan, Shurun

    The objective of my research is two-fold: to study wave scattering phenomena in dense volumetric random media and in periodic wave functional materials. For the first part, the goal is to use the microwave remote sensing technique to monitor water resources and global climate change. Towards this goal, I study the microwave scattering behavior of snow and ice sheet. For snowpack scattering, I have extended the traditional dense media radiative transfer (DMRT) approach to include cyclical corrections that give rise to backscattering enhancements, enabling the theory to model combined active and passive observations of snowpack using the same set of physical parameters. Besides DMRT, a fully coherent approach is also developed by solving Maxwell's equations directly over the entire snowpack including a bottom half space. This revolutionary new approach produces consistent scattering and emission results, and demonstrates backscattering enhancements and coherent layer effects. The birefringence in anisotropic snow layers is also analyzed by numerically solving Maxwell's equation directly. The effects of rapid density fluctuations in polar ice sheet emission in the 0.5˜2.0 GHz spectrum are examined using both fully coherent and partially coherent layered media emission theories that agree with each other and distinct from incoherent approaches. For the second part, the goal is to develop integral equation based methods to solve wave scattering in periodic structures such as photonic crystals and metamaterials that can be used for broadband simulations. Set upon the concept of modal expansion of the periodic Green's function, we have developed the method of broadband Green's function with low wavenumber extraction (BBGFL), where a low wavenumber component is extracted and results a non-singular and fast-converging remaining part with simple wavenumber dependence. We've applied the technique to simulate band diagrams and modal solutions of periodic structures, and to

  11. Inelastic scattering and neutron polarimetry. Application to a few low-dimensioned magnetic systems; Diffusion inelastique et polarimetrie neutronique. Application a certains systemes magnetiques de basse dimension

    Energy Technology Data Exchange (ETDEWEB)

    Boullier, C

    2005-10-15

    This work introduces the spherical polarization analysis used in the case of the inelastic scattering of polarized neutrons. With this kind of analysis, we are able to access some non-trivial dynamical correlation functions. Those correlation functions are related to nuclear and magnetic degrees of freedom. To study these correlations in the case of inelastic scattering, we used an optimized version of the experimental set-up called CRYOPAD (Cryogenic Polarisation Analysis Device) for which we will introduce a new calibration process. To illustrate the importance of such analysis, we will use it on two low-dimensional systems: the first one is BaCo{sub 2}(AsO{sub 4}){sub 2} with a planar spin system and the second one is Sr{sub 14}Cu{sub 24}O{sub 41} showing both chain and ladder spin systems. The spherical polarization analysis of both elastic and inelastic signal on the compound BaCo{sub 2}(AsO{sub 4}){sub 2} has allowed us to determine its low temperature magnetic structure and the nature of its magnetic excitations. With the compound Sr{sub 14}Cu{sub 24}O{sub 41} we demonstrated the evidence of a big anisotropy between the out-of-plane and the in-plane magnetic dynamical correlation functions for both the chain and ladder subsystems. Finally, studying the inelastic signal of the chains under a magnetic field, we tried to better understand the 'dynamical chirality' associated with clockwise and anti-clockwise precessions of a magnetic triplet. (author)

  12. Neutron scattering. Lectures

    Energy Technology Data Exchange (ETDEWEB)

    Brueckel, Thomas; Heger, Gernot; Richter, Dieter; Roth, Georg; Zorn, Reiner (eds.)

    2010-07-01

    The following topics are dealt with: Neutron sources, neutron properties and elastic scattering, correlation functions measured by scattering experiments, symmetry of crystals, applications of neutron scattering, polarized-neutron scattering and polarization analysis, structural analysis, magnetic and lattice excitation studied by inelastic neutron scattering, macromolecules and self-assembly, dynamics of macromolecules, correlated electrons in complex transition-metal oxides, surfaces, interfaces, and thin films investigated by neutron reflectometry, nanomagnetism. (HSI)

  13. Interplay between structure and magnetism in HoxPr1-x alloys. 2. Resonant x-ray magnetic scattering

    DEFF Research Database (Denmark)

    Vigliante, A.; Christensen, M.J.; Hill, J.P.

    1998-01-01

    X-ray-scattering techniques have been used to study the crystal and magnetic structures of HoxPr1-x alloys in the form of thin films. Three distinct crystal structures are found as a function of concentration x, each of which has a characteristic magnetic structure. For x greater than or equal to 0.......6 a hexagonal-close-packed phase is found with the magnetic moments ordered in a basal-plane helix, whereas for 0.4 less than or equal to x... hexagonal-close-packed and remain nonmagnetic down to the lowest temperatures studied. Using x-ray magnetic resonance scattering techniques, we demonstrate that a small, static spin-density wave is induced within the alloy 5d band at both the Pr and Ho sites in both of the magnetically ordered phases...

  14. Structural relaxation as seen by quasielastic neutron scattering on viscous Zr-Ti-Cu-Ni-Be droplets

    Energy Technology Data Exchange (ETDEWEB)

    Yang, F; Kordel, T; Holland-Moritz, D; Meyer, A [Institut fuer Materialphysik im Weltraum, Deutsches Zentrum fuer Luft- und Raumfahrt (DLR), 51170 Koeln (Germany); Unruh, T, E-mail: andreas.meyer@dlr.de [Forschungsneutronenquelle Heinz Maier-Leibnitz (FRM II), Technische Universitaet Muenchen, 85748 Garching (Germany)

    2011-06-29

    In bulk glass forming Zr{sub 46.8}Ti{sub 8.2}Cu{sub 7.5}Ni{sub 10}Be{sub 27.5} (Vit4) the mean Ni, Ti, and Cu self-diffusion coefficient at the liquidus is about 10{sup -10} m{sup 2} s{sup -1}. Compared with these values, diffusion coefficients derived from various reported viscosity data by rescaling them via the Stokes-Einstein relation exhibit different temperature dependence and absolute values are a factor of 5-10 smaller. This raises the question of whether a slow Zr subsystem exists in the melt at temperatures well above the liquidus temperature. Here, we address this question by studying microscopic dynamics employing quasielastic neutron scattering. We utilized containerless sample processing in a novel electrostatic levitation apparatus. This excludes reactions between samples and crucible materials and gives access to a wide momentum transfer range of about 0.2-2.6 A{sup -1}. We studied the dynamics governed by the Ni, Ti, and Cu diffusive motion as well as by collective Zr motion. At 1255 K, both correlation functions decay to zero on a timescale of about 20 ps. This shows that there is neither a decoupling between the atomic dynamics of the various components nor a slow Zr subsystem in the equilibrium melt.

  15. Diffusion tensor optical coherence tomography

    Science.gov (United States)

    Marks, Daniel L.; Blackmon, Richard L.; Oldenburg, Amy L.

    2018-01-01

    In situ measurements of diffusive particle transport provide insight into tissue architecture, drug delivery, and cellular function. Analogous to diffusion-tensor magnetic resonance imaging (DT-MRI), where the anisotropic diffusion of water molecules is mapped on the millimeter scale to elucidate the fibrous structure of tissue, here we propose diffusion-tensor optical coherence tomography (DT-OCT) for measuring directional diffusivity and flow of optically scattering particles within tissue. Because DT-OCT is sensitive to the sub-resolution motion of Brownian particles as they are constrained by tissue macromolecules, it has the potential to quantify nanoporous anisotropic tissue structure at micrometer resolution as relevant to extracellular matrices, neurons, and capillaries. Here we derive the principles of DT-OCT, relating the detected optical signal from a minimum of six probe beams with the six unique diffusion tensor and three flow vector components. The optimal geometry of the probe beams is determined given a finite numerical aperture, and a high-speed hardware implementation is proposed. Finally, Monte Carlo simulations are employed to assess the ability of the proposed DT-OCT system to quantify anisotropic diffusion of nanoparticles in a collagen matrix, an extracellular constituent that is known to become highly aligned during tumor development.

  16. Temperature-dependent structural and functional features of a hyperthermostable enzyme using elastic neutron scattering

    NARCIS (Netherlands)

    Koutsopoulos, S; van der Oost, J; Norde, W

    2005-01-01

    The dynamic behavior of an endoglucanase from the hyperthermophilic microorganism Pyrococcus furiosus was investigated using elastic neutron scattering. The temperature dependence of the atomic motions was correlated with conformational. and functional characteristics of the enzyme. The onset of

  17. Electron Energization and Structure of the Diffusion Region During Asymmetric Reconnection

    Science.gov (United States)

    Chen, Li-Jen; Hesse, Michael; Wang, Shan; Bessho, Naoki; Daughton, William

    2016-01-01

    Results from particle-in-cell simulations of reconnection with asymmetric upstream conditions are reported to elucidate electron energization and structure of the electron diffusion region (EDR). Acceleration of unmagnetized electrons results in discrete structures in the distribution functions and supports the intense current and perpendicular heating in the EDR. The accelerated electrons are cyclotron turned by the reconnected magnetic field to produce the outflow jets, and as such, the acceleration by the reconnection electric field is limited, leading to resistivity without particle-particle or particle-wave collisions. A map of electron distributions is constructed, and its spatial evolution is compared with quantities previously proposed to be EDR identifiers to enable effective identifications of the EDR in terrestrial magnetopause reconnection.

  18. Small angle X-ray scattering data and structure factor fitting for the study of the quaternary structure of the spermidine N-acetyltransferase SpeG

    Directory of Open Access Journals (Sweden)

    Steven Weigand

    2016-03-01

    Full Text Available Here we describe the treatment of the small-angle X-ray Scattering (SAXS data used during SpeG quaternary structure study as part of the research article “Substrate induced allosteric change in the quaternary structure of the spermidine N-acetyltransferase SpeG” published in Journal of Molecular Biology [1]. These data were collected on two separate area detectors as separate dilution series of the SpeG and the SpeG with spermine samples along with data from their companion buffers. The data were radially integrated, corrected for incident beam variation, and scaled to absolute units. After subtraction of volume-fraction scaled buffer scattering and division by the SpeG concentration, multiple scattering curves free of an inter-molecular structure factor were derived from the dilution series. Rather than extrapolating to infinite dilution, the structure factor contribution was estimated by fitting to the full set of data provided by dividing the scattering curves of a dilution series by the curve from the most dilute sample in that series.

  19. Effect of particle shape and structure on the results of single-particle light-scattering size analysis.

    Science.gov (United States)

    Umhauer, H; Bottlinger, M

    1991-11-20

    To evaluate quantitatively the influence exerted by the shape and structure of nonspherical, nonideal particles on the results of single-particle scattered-light size analysis, measurements were conducted with individual particles of different materials (glass, limestone, and quartz). For this purpose, the particles were suspended in an electrodynamic balance and repeatedly passed through the analyzer's measuring volume with a continually changing random orientation. The scattered-light signal spectra thus obtained specify the probability with which a certain pulse height is induced when the particle passes once through the measuring volume at a given coincidental orientation. The spectra reflect the material-characteristic influence. They allow the loss of resolution of common scattered-light size analyses to be assessed and algorithms (matrices) to be compiled with which the shape and structure influence may be mathematically eliminated. Because a shape and structure independent size parameter is also determined from the individual particles, exact calibration curves can be derived in which the shape and structure influence are incorporated.

  20. Acoustic formulation of elastic guided wave propagation and scattering in curved tubular structures.

    Science.gov (United States)

    Brath, Alex J; Simonetti, Francesco; Nagy, Peter B; Instanes, Geir

    2014-05-01

    Recently, the use of guided wave technology in conjunction with tomographic techniques has provided the possibility of obtaining point-by-point maps of corrosion or erosion depth over the entire volume of a pipeline section between two ring arrays of ultrasonic transducers. However, current research has focused on straight pipes and little work has been done on pipe bends and other curved tubular structures which are also the most susceptible to developing damage. Tomography of curved tubes is challenging because of the complexity and computational cost of the 3-D elastic model required to accurately describe guided wave propagation. Based on the definition of travel-time-preserving orthogonal parametric representations of curved tubes, this paper demonstrates that guided wave propagation and scattering can be approximated by an equivalent 2-D acoustic model which is inhomogeneous and elliptically anisotropic. Numerical methods to solve the full wave equation and predict ray paths and travel times are introduced and applied to the case of a bend. Particular emphasis is given to the shortest-path ray tracing method, which is applied to the 2-D model to compute ray paths and predict travel times of the fundamental flexural mode, A0, propagating across a curved pipe. Good agreement is found between predictions and experiments performed on a 220-mm-diameter (8-in-diameter) (D) pipe with 1.5D bend radius. The 2-D model also reveals the existence of an acoustic lensing effect which leads to a focusing phenomenon also confirmed by the experiments. The computational efficiency of the 2-D model makes it ideally suited for tomographic algorithms.

  1. Surface-driven registration method for the structure-informed segmentation of diffusion MR images.

    Science.gov (United States)

    Esteban, Oscar; Zosso, Dominique; Daducci, Alessandro; Bach-Cuadra, Meritxell; Ledesma-Carbayo, María J; Thiran, Jean-Philippe; Santos, Andres

    2016-10-01

    Current methods for processing diffusion MRI (dMRI) to map the connectivity of the human brain require precise delineations of anatomical structures. This requirement has been approached by either segmenting the data in native dMRI space or mapping the structural information from T1-weighted (T1w) images. The characteristic features of diffusion data in terms of signal-to-noise ratio, resolution, as well as the geometrical distortions caused by the inhomogeneity of magnetic susceptibility across tissues hinder both solutions. Unifying the two approaches, we propose regseg, a surface-to-volume nonlinear registration method that segments homogeneous regions within multivariate images by mapping a set of nested reference-surfaces. Accurate surfaces are extracted from a T1w image of the subject, using as target image the bivariate volume comprehending the fractional anisotropy (FA) and the apparent diffusion coefficient (ADC) maps derived from the dMRI dataset. We first verify the accuracy of regseg on a general context using digital phantoms distorted with synthetic and random deformations. Then we establish an evaluation framework using undistorted dMRI data from the Human Connectome Project (HCP) and realistic deformations derived from the inhomogeneity fieldmap corresponding to each subject. We analyze the performance of regseg computing the misregistration error of the surfaces estimated after being mapped with regseg onto 16 datasets from the HCP. The distribution of errors shows a 95% CI of 0.56-0.66mm, that is below the dMRI resolution (1.25mm, isotropic). Finally, we cross-compare the proposed tool against a nonlinear b0-to-T2w registration method, thereby obtaining a significantly lower misregistration error with regseg. The accurate mapping of structural information in dMRI space is fundamental to increase the reliability of network building in connectivity analyses, and to improve the performance of the emerging structure-informed techniques for dMRI data

  2. Structural studies on protein solutions by using solution x-ray scattering technique at RIKEN structural biology beamline I (BL45XU)

    Energy Technology Data Exchange (ETDEWEB)

    Fujisawa, Tetsuro [Structural Biophysics Laboratory, RIKEN Harima Institute, Mikazuki, Hyogo (Japan)

    2000-02-01

    RIKEN structural biology beamline I (BL45XU) is an undulator beamline with two branches. One is for protein crystallography (PX) and the other is for small-angle x-ray scattering (SAXS). PX and SAXS experiments can be done simultaneously [Yamamoto et al. (1995) Rev. Sci. Instrum. 66, 1833-1835]. For SAXS branch the clean and stable optics were realized. The use of this beamline extends the various limits of small-angle scattering technique: measurements of dilute protein solutions, large protein complex and fast time-resolved experiments. These advantages will be fully utilized for high-pressure SAXS measurements. (author)

  3. Structure and kinetics of chemically cross-linked protein gels from small-angle X-ray scattering

    CERN Document Server

    Kaieda, Shuji; Halle, Bertil

    2014-01-01

    Glutaraldehyde (GA) reacts with amino groups in proteins, forming intermolecular cross-links that, at sufficiently high protein concentration, can transform a protein solution into a gel. Although GA has been used as a cross-linking reagent for decades, neither the cross-linking chemistry nor the microstructure of the resulting protein gel have been clearly established. Here we use small-angle X-ray scattering (SAXS) to characterise the microstructure and structural kinetics of gels formed by cross-linking of pancreatic trypsin inhibitor, myoglobin or intestinal fatty acid-binding protein. By comparing the scattering from gels and dilute solutions, we extract the structure factor and the pair correlation function of the gel. The protein gels are spatially heterogeneous, with dense clusters linked by sparse networks. Within the clusters, adjacent protein molecules are almost in contact, but the protein concentration in the cluster is much lower than in a crystal. At the $\\sim$ 1 nm SAXS resolution, the native ...

  4. Structure, hydrolysis, and diffusion of aqueous vanadium ions from Car-Parrinello molecular dynamics

    Science.gov (United States)

    Jiang, Zhen; Klyukin, Konstantin; Alexandrov, Vitaly

    2016-09-01

    A molecular level understanding of the properties of electroactive vanadium species in aqueous solution is crucial for enhancing the performance of vanadium redox flow batteries. Here, we employ Car-Parrinello molecular dynamics simulations based on density functional theory to investigate the hydration structures, first hydrolysis reaction, and diffusion of aqueous V2+, V3+, VO2+, and VO 2+ ions at 300 K. The results indicate that the first hydration shell of both V2+ and V3+ contains six water molecules, while VO2+ is coordinated to five and VO 2+ to three water ligands. The first acidity constants (pKa) estimated using metadynamics simulations are 2.47, 3.06, and 5.38 for aqueous V3+, VO 2+ , and VO2+, respectively, while V2+ is predicted to be a fairly weak acid in aqueous solution with a pKa value of 6.22. We also show that the presence of chloride ions in the first coordination sphere of the aqueous VO 2+ ion has a significant impact on water hydrolysis leading to a much higher pKa value of 4.8. This should result in a lower propensity of aqueous VO 2+ for oxide precipitation reaction in agreement with experimental observations for chloride-based electrolyte solutions. The computed diffusion coefficients of vanadium species in water at room temperature are found to increase as V 3 + < VO 2 + < V O 2 + < V 2 + and thus correlate with the simulated hydrolysis constants, namely, the higher the pKa value, the greater the diffusion coefficient.

  5. Study of {sup 22}Al radioactivity and spectroscopy by resonant elastic scattering; Etude de la radioactivite de {sup 22}Al et spectroscopie par diffusion elastique resonante

    Energy Technology Data Exchange (ETDEWEB)

    Achouri, N.L

    2001-09-01

    This thesis describes two studies which explore the structure of proton-rich nuclei. The first of these concerned an investigation of the {beta}-delayed charged particle decay of {sup 22}Al. The experiment was carried out using the LISE3 spectrometer at GANIL and permitted the energies of the {beta}-p, {beta}-2p and {beta}-{alpha} transitions together with the corresponding branching ratios to be determined with an improved precision over earlier work. In addition the coincidences with {gamma}-rays were measured for the first time allowing the decay scheme to be reconstructed. Comparison with shell model calculations using the code OXBASH and the mirror nucleus {sup 22}F allowed the spin and parity and the mass of {sup 22}Al g.s. as well as levels in {sup 22}Mg to be deduced. The experimentally determined Gamow Teller strength was found to be in good agreement at low excitation energies with a shell model calcination employing an effective operator. The second study concerned the development of resonant elastic scattering in inverse kinematics as a spectroscopic tool. Extensive simulations were carried out to ascertain the feasibility of such experiments as well as to optimise the set-up. In the context of the later, particular attention was paid to the final resolution. Experiments subsequently undertaken at GANIL with stable and radioactive beams demonstrated that the technique will be a powerful spectroscopic tool for use with radioactive beams with characteristics similar to those that will be furnished by SPIRAL. (author)

  6. Measurement of the longitudinal deuteron spin-structure function in deep-inelastic scattering

    Energy Technology Data Exchange (ETDEWEB)

    Bauer, J.M.

    1996-09-01

    Experiment E143 at SLAC performed deep-inelastic scattering measurements with polarized electrons incident on polarized protons and deuterons. The data for the beam energy of 29 GeV cover the kinematical range of x{sub Bj} > 0.03 and 1 < Q{sup 2} < 12 GeV{sup 2}. From these data, the spin-dependent structure functions g{sub 1} were determined. This dissertation describes the experiment and its analysis and discusses the results. The measured integral of g{sub 1}{sup d} over x from x = 0 to x = 1 is {Gamma}{sub 1}{sup d} = 0.046 {+-} 0.003 (stat){+-}0.004 (syst) at Q{sup 2} = 3 GeV{sup 2} and disagrees by more than three standard deviations with the prediction of the Ellis-Jaffe, sum rule. The data suggest that the quark contribution to the nucleon helicity is 0.35 {+-} 0.05. From the proton data of the same experiment, the integral over the proton spin-structure functional g{sub 1}{sup d} was determined to be {Gamma}{sub 1}{sup p} = 0.127 {+-} 0.003(stat){+-}0.008(syst). By Combining the deuteron data with the proton data, the integral {Gamma}{sub 1}{sup n} was extracted as {minus}0.027 {+-} 0.008 (stat){+-}0.010 (syst). The integral {Gamma}{sub 1}{sup p} {minus} {Gamma}{sub 1}{sup n} is 0.154{+-}0.010(stat) {+-}0.016 (syst) according to the E143 analysis. This result agrees with the important Bjorken sum rule of 0.171 {+-} 0.009 at Q{sup 2} = 3 GeV{sup 2} within less than one standard deviation. Furthermore, results of a separate analysis involving GLAP evolution equations are shown. Data were also collected for beam energies of 16.2 and 9.7 GeV, Results for g{sub 1} at these energies are presented.

  7. A Study of the Structure of Steel - Titanium Joints Formed by Diffusion Welding with the Use of Ultrafine Nickel Powder

    Science.gov (United States)

    Uvarov, A. A.; Semenov, A. N.; Krestnikov, N. S.; Lyushinskii, A. V.; Nikitina, E. V.

    2017-11-01

    The structure and phase composition of welded joints of austenitic steel 08Kh17N10T and titanium alloy PT-3V formed by diffusion welding with an intermediate layer of ultrafine nickel powder have been studied. The microstructure of joints welded in various regimes was studied using metallographic and energy-dispersive x-ray microanalysis techniques. Good prospects of the application of ultrafine dispersed media for diffusion welding of steels and titanium alloys are shown.

  8. Breakdown of the zeroth law of thermodynamics as a consequence of diffraction of diffuse radiation at multidimensional regular structures

    CERN Document Server

    Savukov, Vladimir

    2010-01-01

    This article is devoted to the complete results of an experimental test of the theoretical assumption that the basic axiomatic postulate of statistical physics according to which it is equally probable for a closed system to reside in any of the microstates accessible to it may be invalid for nonergodic cases. In the course of photometric experiments for the purpose of recording the predicted loss of isotropy by a diffuse light field when it came into contact with a two-dimensional phase-type diffraction grating, a significant deviation from Lambert's law was detected when the diffuse photon gas was scattered by the grating surface. This caused angular anisotropy of the radiation fluxes to appear in the initially homogeneous light field. These results provide a basis for revising the determination of the most probable macrostate of a closed system.

  9. Characterization of pore structure in metal-organic framework by small-angle X-ray scattering.

    Science.gov (United States)

    Tsao, Cheng-Si; Yu, Ming-Sheng; Chung, Tsui-Yun; Wu, Hsiu-Chu; Wang, Cheng-Yu; Chang, Kuei-Sen; Chen, Hsin-Lung

    2007-12-26

    MOF-5-like crystals were studied by small-angle X-ray scattering (SAXS) to reveal, both quantitatively and qualitatively, their real structural details, including pore surface characteristics, pore shape, size distribution, specific surface area (SSA), spatial distribution, and pore-network structure. A combined SAXS and wide-angle X-ray scattering (WAXS) experiment was conducted to investigate the variation of the pore structure with the MOF-5 crystalline phase produced at different cooling rates. The SSA of the MOF-5 crystals synthesized herein spanned a broad range from approximately 3100 to 800 m2/g. The real pore structures were divided into two regimes. In regime I the material consisted mainly of micropores of radius approximately 8 A as well as mesopores of radius 120 approximately 80 A. The structure in regime II was a fractal network of aggregated mesopores with radius >or=32 A as the monomer, reducing SSA and hydrogen uptake capacity at room temperature. The two regimes can be manipulated by controlling the synthesis parameters. The concurrent evolution of pore structure and crystalline phase during heating for solvent removal was also revealed by the in-situ SAXS/WAXS measurement. The understanding of the impact of the real pore structure on the properties is important to establish a favorable synthetic approach for markedly improving the hydrogen storage capacity of MOF-5.

  10. Hadron production in high energy muon scattering. [Quark-parton model, 225 GeV, structure functions, particle ratios

    Energy Technology Data Exchange (ETDEWEB)

    Hicks, R.G.

    1978-01-01

    An experiment was performed to study muon-proton scattering at an incident energy of 225 GeV and a total effective flux of 4.3 x 10/sup 10/ muons. This experiment is able to detect charged particles in coincidence with the scattered muon in the forward hemisphere, and results are reported for the neutral strange particles K/sub s//sup 0/ and ..lambda../sup 0/ decaying into two charged particles. Within experimental limits the masses and lifetimes of these particles are consistent with previous measurements. The distribution of hadrons produced in muon scattering is determined, measuring momentum components parallel and transverse to the virtual photon direction, and these distributions are compared to other high energy experiments involving the scattering of pions, protons, and neutrinos from protons. Structure functions for hadron production and particle ratios are calculated. No azimuthal dependence is observed, and lambda production does not appear to be polarized. The physical significance of the results is discussed within the framework of the quark-parton model. 29 references.

  11. Direct experimental determination of spiral spin structures via the dichroism extinction effect in resonant elastic soft x-ray scattering

    Science.gov (United States)

    Zhang, S. L.; van der Laan, G.; Hesjedal, T.

    2017-09-01

    Long-wavelength spin spiral structures are ubiquitous in a large variety of magnetic materials. The detailed magnetic structure can take many variations owing to their different physical origins. Therefore, the unambiguous structural determination is crucial for understanding these spin systems, though such a task is experimentally challenging. Here, we show that ordered spin spiral structures can be fully determined in a single measurement by dichroic resonant elastic x-ray scattering using circularly polarized light. It is found that at certain geometrical conditions, the circular dichroism of the diffraction vanishes completely, revealing a one-to-one correspondence with the spin structure. We demonstrate both theoretically and experimentally this experimental principle, which allows for unambiguous structure determination immediately from the measured signal, whereby no modeling-based data refinement is needed. This largely expands the capabilities of conventional magnetic characterization techniques.

  12. Repair of Structural Steel Surface Groove by Using Diffusion Welding of Pure Iron Powder

    Directory of Open Access Journals (Sweden)

    Rahimy Y.

    2016-06-01

    Full Text Available Metal pieces wear out due to variable loading, because cracks formed on their surface of them. In order to increase useful life of metal pieces with the help of different methods of welding, surface cracks are repaired. In this research, performance of the diffusion welding of pure iron powder through magnetic induction evaluated for repairing structural steel surface cracks. First, four specimens prepared including one control specimen and other three specimens grooved specimens in length of 6.25mm and in depth of 1mm and groove width in the sizes of 0.5, 0.75 and 1mm. Then by a coil, the induced current created in the piece surface. After crossing the current, the powder melted and the groove repaired due to diffusion welding. To prevent oxidation, the atmosphere inside the coil filled with argon gas. The results show that after repairing surface groove, tensile strength of the repaired specimens reached to the tensile strength of control specimen with the margin of 7.5%.

  13. Structural limitations of learning in a crowd: communication vulnerability and information diffusion in MOOCs

    Science.gov (United States)

    Gillani, Nabeel; Yasseri, Taha; Eynon, Rebecca; Hjorth, Isis

    2014-09-01

    Massive Open Online Courses (MOOCs) bring together a global crowd of thousands of learners for several weeks or months. In theory, the openness and scale of MOOCs can promote iterative dialogue that facilitates group cognition and knowledge construction. Using data from two successive instances of a popular business strategy MOOC, we filter observed communication patterns to arrive at the ``significant'' interaction networks between learners and use complex network analysis to explore the vulnerability and information diffusion potential of the discussion forums. We find that different discussion topics and pedagogical practices promote varying levels of 1) ``significant'' peer-to-peer engagement, 2) participant inclusiveness in dialogue, and ultimately, 3) modularity, which impacts information diffusion to prevent a truly ``global'' exchange of knowledge and learning. These results indicate the structural limitations of large-scale crowd-based learning and highlight the different ways that learners in MOOCs leverage, and learn within, social contexts. We conclude by exploring how these insights may inspire new developments in online education.

  14. Effects of Structure and Hydrodynamics on the Sooting Behavior of Spherical Microgravity Diffusion Flames

    Science.gov (United States)

    Sunderland, P. B.; Axelbaum, R. L.; Urban, D. L.

    1999-01-01

    Recent experimental, numerical and analytical work has shown that the stoichiometric mixture fraction (Z(sub st)) can have a profound effect on soot formation in diffusion flames. These findings were obtained at constant flame temperature (T(sub ad)), employing the approach described in Du and Axelbaum (1995, 1996). For example, a fuel mixture containing 1 mole of ethylene and 11.28 moles of nitrogen burning in pure oxygen ((Z(sub st)) = 0.78) has the same adiabatic flame temperature (2370 K) as that of pure ethylene burning in air ((Z(sub st)) = 0.064). An important finding of these works was that at sufficiently high (Z(sub st)), flames remain blue as strain rate approaches zero in counterflow flames, or as flame height and residence time approach infinity in coflowing flames. Lin and Faeth (1996a) coined the term permanently blue to describe such flames. Two theories have been proposed to explain the appearance of permanently-blue flames at high (Z(sub st)). They are based on (1) hydrodynamics and (2) flame structure. Previous experimental studies in normal gravity are not definitive as to which, if either, mechanism is dominant because both hydrodynamics and structure suppress soot formation at high (Z(sub st)) in coflowing and counterflowing diffusion flames. In counterflow flames with (Z(sub st)) 0.5, convection at the flame is toward the oxidizer, thus enhancing soot oxidization. Thus, in counterflow flames, hydrodynamics causes soot to be convected towards the oxidizer at high (Z(sub st)) which suppresses soot formation. Axelbaum and co-workers maintain that while the direction of convection can impact soot growth and oxidation, these processes alone cannot cause permanently-blue flames. Soot growth and oxidation are dependent on the existence of soot particles and the presence of soot is invariably accompanied by yellow luminosity. Soot-particle inception, on the other hand, arises from gas-phase reactions and its dependence on flow direction is weak

  15. Multi-shot multi-channel diffusion data recovery using structured low-rank matrix completion

    CERN Document Server

    Mani, Merry; Kelley, Douglas; Magnotta, Vincent

    2016-01-01

    Purpose: To introduce a novel method for the recovery of multi-shot diffusion weighted (MS-DW) images from echo-planar imaging (EPI) acquisitions. Methods: Current EPI-based MS-DW reconstruction methods rely on the explicit estimation of the motion- induced phase maps to recover the unaliased images. In the new formulation, the k-space data of the unaliased DWI is recovered using a structured low-rank matrix completion scheme, which does not require explicit estimation of the phase maps. The structured matrix is obtained as the lifting of the multi-shot data. The smooth phase-modulations between shots manifest as null-space vectors of this matrix, which implies that the structured matrix is low-rank. The missing entries of the structured matrix are filled in using a nuclear-norm minimization algorithm subject to the data-consistency. The formulation enables the natural introduction of smoothness regularization, thus enabling implicit motion-compensated recovery of fully-sampled as well as under-sampled MS-DW ...

  16. Spatial distribution of ultra-diffuse galaxies within large-scale structures

    Science.gov (United States)

    Román, Javier; Trujillo, Ignacio

    2017-06-01

    Taking advantage of the Sloan Digital Sky Survey Stripe82 data, we have explored the spatial distribution of ultra-diffuse galaxies (UDGs) within an area of 8 × 8 Mpc2 centred around the galaxy cluster Abell 168 (z = 0.045). This intermediate massive cluster (σ = 550 km s-1) is surrounded by a complex large-scale structure. Our work confirms the presence of UDGs in the cluster and in the large-scale structure that surrounds it, and it is the first detection of UDGs outside clusters. Approximately 50 per cent of the UDGs analysed in the selected area inhabit the cluster region (˜11 ± 5 per cent in the core and ˜39 ± 9 per cent in the outskirts), whereas the remaining UDGs are found outside the main cluster structure (˜50 ± 11 per cent). The colours and the spatial distribution of the UDGs within this large-scale structure are more similar to dwarf galaxies than to L⋆ galaxies, suggesting that most UDGs could be bona fide dwarf galaxies.

  17. Quark structure of the nucleon and angular asymmetry of proton-neutron hard elastic scattering.

    Science.gov (United States)

    Granados, Carlos G; Sargsian, Misak M

    2009-11-20

    We investigate an asymmetry in the angular distribution of hard elastic proton-neutron scattering with respect to the 90 degrees center of mass scattering angle and demonstrate that it's magnitude is related to the helicity-isospin symmetry of the quark wave function of the nucleon. Our estimate of the asymmetry within the quark-interchange model of hard scattering demonstrates that the quark wave function of a nucleon based on the exact SU(6) symmetry predicts an angular asymmetry opposite to that of experimental observations. We found that the quark wave function based on the diquark picture of the nucleon produces a correct asymmetry. Comparison with the data allowed us to show that the vector diquarks contribute around 10% in the nucleon wave function and they are in negative phase relative to the scalar diquarks. These observations are essential in constraining QCD models of a nucleon.

  18. Structural analysis of flexible proteins in solution by SmallAngle X-ray Scattering combined with crystallography

    Energy Technology Data Exchange (ETDEWEB)

    Tsutakawa, Susan E.; Hura, Greg L.; Frankel, Ken A.; Cooper,Priscilla K.; Tainer, John A.

    2006-05-25

    In the last few years, SAXS of biological materials has been rapidly evolving and promises to move structural analysis to a new level. Recent innovations in SAXS data analysis allow ab initio shape predictions of proteins in solution. Furthermore, experimental scattering data can be compared to calculated scattering curves from the growing data base of solved structures and also identify aggregation and unfolded proteins. Combining SAXS results with atomic resolution structures enables detailed characterizations in solution of mass, radius, conformations, assembly, and shape changes associated with protein folding and functions. SAXS can efficiently reveal the spatial organization of protein domains, including domains missing from or disordered in known crystal structures, and establish cofactor or substrate-induced conformational changes. For flexible domains or unstructured regions that are not amenable for study by many other structural techniques, SAXS provides a unique technology. Here, we present SAXS shape predictions for PCNA that accurately predict a trimeric ring assembly and for a full-length DNA repair glycosylase with a large unstructured region. These new results in combination with illustrative published data show how SAXS combined with high resolution crystal structures efficiently establishes architectures, assemblies, conformations, and unstructured regions for proteins and protein complexes in solution.

  19. Diffusion et structuration spatiale d’une question de recherche en biologie moléculaire

    Directory of Open Access Journals (Sweden)

    Marion Maisonobe

    2013-08-01

    Full Text Available Cet article propose une approche géographique pour étudier l'évolution d'un collectif scientifique de dimension mondiale en biologie moléculaire. Un corpus de 908 publications représentatives d'une question de recherche est analysé. On montre que les résultats obtenus en bibliométrie sont extrêmement sensibles au niveau d'agrégation des données. L'analyse, longitudinale, se centre sur la diffusion spatiale de la question de recherche. Le recours à la théorie des graphes permet d'interroger les effets du temps sur la structure du réseau de copublications et par extension sur l'organisation spatiale du collectif scientifique.

  20. Analysis of the hierarchical structure of biological tissues by scanning X-ray scattering using a micro-beam.

    Science.gov (United States)

    Paris, O; Zizak, I; Lichtenegger, H; Roschger, P; Klaushofer, K; Fratzl, P

    2000-07-01

    The outstanding mechanical properties of biological tissues such as wood or bone are mainly due to their hierarchical structure and to their optimization at all levels of hierarchy. It is therefore essential to characterize the structure at all levels to understand the complex behavior of such tissues. Structures down to the micrometer level are accessible to light or scanning electron microscopic observation. In the case of bone this includes, for example, morphometry of the trabecular architecture or the bone mineral density distribution in cortical and trabecular bone. To characterize the sub-micrometer structure of, e.g., the collagen-mineral composite in the case of bone or the cellulose microfibrils in the case of wood, other methods, such as transmission electron microscopy or X-ray scattering are necessary. The recent availability of extremely brilliant synchrotron X-ray sources has led to the development of the new techniques of scanning small-angle X-ray scattering and scanning X-ray microdiffraction, which are capable of providing structural information on the micrometer and the nanometer level, simultaneously. As a basic principle of the method the specimen is scanned across an X-ray beam which has a diameter of few micrometers. Measuring the X-ray absorption at each position provides an image of the specimen (microradiography) with resolution similar to light microscopy, in the micrometer range. Moreover, the X-ray scattering pattern is analyzed at each specimen position to provide parameters characterizing the structure in the nanometer range. The present paper reviews the principles of the techniques and demonstrates their application to biological materials, such as wood or bone.

  1. Characterizing brain structures and remodeling after TBI based on information content, diffusion entropy.

    Science.gov (United States)

    Fozouni, Niloufar; Chopp, Michael; Nejad-Davarani, Siamak P; Zhang, Zheng Gang; Lehman, Norman L; Gu, Steven; Ueno, Yuji; Lu, Mei; Ding, Guangliang; Li, Lian; Hu, Jiani; Bagher-Ebadian, Hassan; Hearshen, David; Jiang, Quan

    2013-01-01

    To overcome the limitations of conventional diffusion tensor magnetic resonance imaging resulting from the assumption of a Gaussian diffusion model for characterizing voxels containing multiple axonal orientations, Shannon's entropy was employed to evaluate white matter structure in human brain and in brain remodeling after traumatic brain injury (TBI) in a rat. Thirteen healthy subjects were investigated using a Q-ball based DTI data sampling scheme. FA and entropy values were measured in white matter bundles, white matter fiber crossing areas, different gray matter (GM) regions and cerebrospinal fluid (CSF). Axonal densities' from the same regions of interest (ROIs) were evaluated in Bielschowsky and Luxol fast blue stained autopsy (n = 30) brain sections by light microscopy. As a case demonstration, a Wistar rat subjected to TBI and treated with bone marrow stromal cells (MSC) 1 week after TBI was employed to illustrate the superior ability of entropy over FA in detecting reorganized crossing axonal bundles as confirmed by histological analysis with Bielschowsky and Luxol fast blue staining. Unlike FA, entropy was less affected by axonal orientation and more affected by axonal density. A significant agreement (r = 0.91) was detected between entropy values from in vivo human brain and histologically measured axonal density from post mortum from the same brain structures. The MSC treated TBI rat demonstrated that the entropy approach is superior to FA in detecting axonal remodeling after injury. Compared with FA, entropy detected new axonal remodeling regions with crossing axons, confirmed with immunohistological staining. Entropy measurement is more effective in distinguishing axonal remodeling after injury, when compared with FA. Entropy is also more sensitive to axonal density than axonal orientation, and thus may provide a more accurate reflection of axonal changes that occur in neurological injury and disease.

  2. Grazing-incidence small-angle X-ray scattering from thin polymer films with lamellar structures - the scattering cross section in the distorted-wave Born approximation

    DEFF Research Database (Denmark)

    Posselt, Dorthe; Busch, Peter; Rauscher, Markus

    2006-01-01

    Grazing-incidence small-angle X-ray or neutron scattering of thin polymer films reveals information about the ordering and preferential orientations of the phase-separated microdomains within the films. The grazing-incidence geometry enhances the surface sensitivity; however, the scattering has t...

  3. The Diffusion Approximation versus the Telegraph Equation for Modeling Solar Energetic Particle Transport with Adiabatic Focusing. I. Isotropic Pitch-angle Scattering

    Science.gov (United States)

    Effenberger, Frederic; Litvinenko, Yuri E.

    2014-03-01

    The diffusion approximation to the Fokker-Planck equation is commonly used to model the transport of solar energetic particles in interplanetary space. In this study, we present exact analytical predictions of a higher order telegraph approximation for particle transport and compare them with the corresponding predictions of the diffusion approximation and numerical solutions of the full Fokker-Planck equation. We specifically investigate the role of the adiabatic focusing effect of a spatially varying magnetic field on an evolving particle distribution. Comparison of the analytical and numerical results shows that the telegraph approximation reproduces the particle intensity profiles much more accurately than does the diffusion approximation, especially when the focusing is strong. However, the telegraph approximation appears to offer no significant advantage over the diffusion approximation for calculating the particle anisotropy. The telegraph approximation can be a useful tool for describing both diffusive and wave-like aspects of the cosmic-ray transport.

  4. The structural and magnetic properties of Fe/native-oxide systems resolved by x-ray scattering and spectroscopy methods

    Energy Technology Data Exchange (ETDEWEB)

    Couet, Sebastien

    2008-12-15

    Since the discovery of the giant magnetoresistance (GMR) effect in metallic magnetic multilayers and its industrial application in magnetic read heads, the data storage density and reading speed of hard disks steadily increased. But now the point is reached where conventional conductive multilayer structures suffer from parasitic eddy currents which decrease the signal to noise ratio of the system. To tackle this problem, new classes of materials have to be studied. One approach is to introduce ultra thin oxide layers in a metallic iron structure to reduce the conductivity while keeping a high net magnetization. This can be achieved by alternating metal deposition and controlled oxidation to produce metal/metal-oxide multilayers. However, the magnetic structure that forms in such multilayer is still rather unexplored. The aim of this work was to achieve a better understanding of the magnetic structure that forms in such iron/native-oxide multilayers. For that purpose, X-ray and neutron scattering experiments were carried out to determine the magnetic structure and its evolution in ex-situ and in-situ experiments, respectively. It was found that a non-collinear magnetic coupling appears between the metal layers, which is mediated by the antiferromagnetically ordered oxide layer in between. The use of isotope sensitive scattering techniques (namely nuclear resonant scattering and neutron reflectometry) allowed to resolve the magnetic depth profile of the system, showing that the buried oxide carries a net magnetic moment. The chemical and magnetic structure of the buried oxide was studied by in-situ X-ray absorption spectroscopy and nuclear resonant scattering. After oxidation, the layer exhibits a mixture of different oxide phases and incorporates 10 to 15% of Fe with metallic character. Upon deposition of only one atomic layer of metallic Fe, the layer reduces to a single phase FeO-like oxide. This structural change does not lead to a magnetically ordered oxide

  5. Changes in the interface structure and strength of diffusion brazed joints of Al-Si alloy castings

    Energy Technology Data Exchange (ETDEWEB)

    Osawa, T. [Aoyamagakuin Univ., Tokyo (Japan). Coll. of Science and Technology

    1995-06-01

    The diffusion brazing process, which utilizes diffusion between the base metal and the filler metal, has been tried for joining Al-Si alloy castings. If a ternary eutectic Al-Cu-Si alloy system with a lower melting point than the Al-Si system base metal is produced at the braze interface by the diffusion reaction between the base metal and the cooper filler metal, it may be possible to join an Al-Si system alloy casting by the diffusion brazing process, using a ternary eutectic Al-Si-Cu alloy as a filler metal. In this experiment both copper and brass materials were used as preforms. It was clarified that the diffusion brazing process with a copper or brass preform could be used for all hypoeutectic, eutectic and hypereutectic alloys of Al-Si system castings, and that the minimum temperature where the braze interface, showed a liquid phase structure was 530 C for the copper preform and 510 C for the brass preform. The shear strength of the diffusion brazed joint was dependent on the chemical compositions of the base metal, the type of material for the preform, and brazing temperature and time. The maximum strength of the diffusion brazed joint under optimum conditions was 130 to 150 MPa for the base metal of both Al-7Si and Al-12Si alloy castings and 100 to 130 MPa for the base metal of Al-20Si alloy casting.

  6. Dynamical theory : Application to spin-echo resolved grazing incidence scattering from periodic structures

    NARCIS (Netherlands)

    Ashkar, R.; Schaich, W.L.; De Haan, V.O.; Van Well, A.A.; Dalgliesh, R.; Plomp, J.; Pynn, R.

    2011-01-01

    Neutron spin-echo resolved grazing incidence scattering (SERGIS) measurements performed on a silicon diffraction grating with a rectangular profile were shown in our previous publications to be well explained by dynamical theory calculations. The theory is based on a Bloch wave expansion of the

  7. Surface enhanced raman scattering on tardigrada - Towards monitoring and imaging molecular structures in live cryptobiotic organisms

    DEFF Research Database (Denmark)

    Kneipp, Harald; Møbjerg, Nadja; Jørgensen, Aslak

    2013-01-01

    Tardigrades are microscopic metazoans which are able to survive extreme physical and chemical conditions by entering a stress tolerant state called cryptobiosis. At present, the molecular mechanisms behind cryptobiosis are still poorly understood. We show that surface enhanced Raman scattering su...

  8. Reliability Assessment of Aircraft Structures Based on Probabilistic Interpretation of the Scatter Factor

    Science.gov (United States)

    1975-04-01

    fatigae lives in the fleet, the definition of the scatter factor S becomes A S = (/yl1) where 8 is the maximum likelihood point estimator of the scale...A first estimate of the minimum life can be based on a visual inspection of the "linearity" of the plot of Eq. (20) on extreme value probability

  9. Scattering of light by a periodic structure in the presence of ...

    Indian Academy of Sciences (India)

    The earlier prediction, before our technique was introduced, had placed the limit of detection, by intensity measurements alone, at (0/) ∼ 0.33, where 0 is the coherence length of light for scattering by the rough part of the surface and is the wavelength of the periodic part of the surface. In our earlier works we have ...

  10. Changes in the hydration structure of imidazole upon protonation: Neutron scattering and molecular simulations

    Czech Academy of Sciences Publication Activity Database

    Duboué-Dijon, Elise; Mason, Philip E.; Fischer, H. E.; Jungwirth, Pavel

    2017-01-01

    Roč. 146, č. 18 (2017), č. článku 185102. ISSN 0021-9606 R&D Projects: GA ČR(CZ) GBP208/12/G016 Institutional support: RVO:61388963 Keywords : imidazole protonation * molecular dynamics * neutron scattering Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.965, year: 2016

  11. A two-stage model of rough-interface scattering for embedded nano-structures

    DEFF Research Database (Denmark)

    Karamehmedovic, Mirza; Hansen, P. E.

    2016-01-01

    We decompose scattering by nanostructures on rough substrates into two surface transfer functions: one heuristic, computed for the bare substrate from experimental BRDF data, and the other sparse and constructed for nanostructures on smooth surfaces. We explore numerically the performance and the...

  12. Scattering of light by a periodic structure in the presence of ...

    Indian Academy of Sciences (India)

    , 2Q, respectively, where Q ... successive peaks are then expected at scattering wave vectors vx = nQ = n(2π/Λ) and every peak has a ..... [14] William H Press, Saul A Teukolsky, William T Vellerling and Brain P Flannery,. Numerical recipes in ...

  13. Fine Structure Discussion of Parity-Nonconserving Neutron Scattering at Epithermal Energies

    OpenAIRE

    Hussein, M. S.; Kerman, A. K.; Lin, C-Y

    1994-01-01

    The large magnitude and the sign correlation effect in the parity non-conserving resonant scattering of epithermal neutrons from $^{232}$Th is discussed in terms of a non-collective $2p-1h$ local doorway model. General conclusions are drawn as to the probability of finding large parity violation effects in other regions of the periodic table.

  14. Effect of porous structure of catalyst layer on effective oxygen diffusion coefficient in polymer electrolyte fuel cell

    Science.gov (United States)

    Inoue, Gen; Kawase, Motoaki

    2016-09-01

    It is important to reduce the oxygen diffusion resistance through PEFC porous electrode, because it is the key to reduce the PEFC cost. However, the gas diffusion coefficient of CL is lower than MPL in spite of framework consisted of same carbon blacks. In this study, in order to understand the reasons of the lower gas diffusion performance of CL, the relationship between a carbon black agglomerate structure and ionomer adhesion condition is evaluated by a numerical analysis with an actual reconstructed structure and a simulated structure. As a result, the gas diffusion property of CL strongly depends on the ionomer adhesion shape. In the case of adhesion shape with the same curvature of ionomer interface, each pore can not be connected enough. So the pore tortuosity increases. Moreover, in the case of existence of inefficient large pores formed by carbon black agglomerate and ununiformly coated ionomer, the gas diffusion performance decrease rapidly. As the measurement values in actual CL are almost equal to that with model structure with inefficient large pores. These characteristics can be confirmed by actual cross-section image obtained by FIB-SEM.

  15. Diffuse transition state structure for the unfolding of a leucine-rich repeat protein.

    Science.gov (United States)

    Kelly, Sadie E; Meisl, Georg; Rowling, Pamela J E; McLaughlin, Stephen H; Knowles, Tuomas; Itzhaki, Laura S

    2014-04-14

    Tandem-repeat proteins, such as leucine-rich repeats, comprise arrays of small structural motifs that pack in a linear fashion to produce elongated architectures. They lack contacts between residues that are distant in primary sequence, a feature that distinguishes them from the complex topologies of globular proteins. Here we have investigated the unfolding pathway of the leucine-rich repeat domain of the mRNA export protein TAP (TAPLRR) using Φ-value analysis. Whereas most of the tandem-repeat proteins studied to date have been found to unfold via a polarised mechanism in which only a small, localised number of repeats are structured in the transition state, the unfolding mechanism of TAPLRR is more diffuse in nature. In the transition state for unfolding of TAPLRR, three of the four LRRs are highly structured and non-native interactions are formed within the N-terminal α-helical cap and the first LRR. Thus, the α-helical cap plays an important role in which non-native interactions are required to provide a scaffold for the LRRs to pack against in the folding reaction.

  16. Effect of lithium intercalation on the structure of non-graphitizable carbon: small-angle neutron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Mamun, S.M.; Kamiyama, Takashi [Institute of Materials Structure Science, High Energy Accelerator Research Organization, Tsukuba, Ibaraki (Japan); Nagao, Miki [Department of Chemistry, Kobe Univ., Kobe, Hyogo (JP)] [and others

    2001-03-01

    Recent developments in rechargeable Li-ion battery technology include the use of lithium-carbon compounds instead of metallic anodes. Non-graphitizable carbons offer high capacity as the anode material but it's large irreversible capacity must be solved. The ultimate goals of the present work are to understand the origin of the high capacity and large irreversible capacity in conjunction with the structural change due to Li intercalation and thus to establish a scientific basis for optimizing their performance in real batteries. 'House of cards' model is considered and emphasis is given to find out the size of the pores present in the carbon fibers prepared from an isotropic petroleum pitch and heat treated at 1200degC. Small angle neutron scattering and wide angle neutron scattering results provide enlargement of pores and d-spacing of grapheme layers after Li intercalation. (author)

  17. The study of the structural properties of very low viscosity sodium alginate by small-angle neutron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Badita, C. R., E-mail: ramona@tandem.nipne.ro [Horia Hulubei National Institute of Physics and Nuclear Engineering, Reactorului 30, RO-077125, POB-MG6, Magurele-Bucharest, Romania, ramona@tandem.nipne.ro, daranghe@nipne.ro (Romania); University of Bucharest, Faculty of Physics, Atomiştilor 405, CP MG - 11, RO – 077125, Bucharest-Magurele (Romania); Aranghel, D., E-mail: daranghe@nipne.ro [Horia Hulubei National Institute of Physics and Nuclear Engineering, Reactorului 30, RO-077125, POB-MG6, Magurele-Bucharest, Romania, ramona@tandem.nipne.ro, daranghe@nipne.ro (Romania); Extreme Light Intrastructure Nuclear Physics (ELI-NP), Reactorului 30, RO-077125, POB-MG6, Magurele-Bucharest (Romania); Radulescu, A. [Forschungszentrum Jülich GmbH, Jülich Centre for Neutron Science, 85747 Garching (Germany); Anitas, E. M. [Horia Hulubei National Institute of Physics and Nuclear Engineering, Reactorului 30, RO-077125, POB-MG6, Magurele-Bucharest, Romania, ramona@tandem.nipne.ro, daranghe@nipne.ro (Romania); Joint Institute for Nuclear Research, 141980 Dubna, Moscow region (Russian Federation)

    2016-03-25

    Sodium alginate is a linear polymer extract from brown algae and it is used in the biomedical, food, cosmetics and pharmaceutical industries as solution property modifiers and gelling agents. But despite the extensive studies of the alginate gelation process, still some fundamental questions remain unresolved. The fractal behavior of very low viscosity sodium alginate solutions and their influence on the critical gelation of alginate induced by Ca{sup 2+} ions were investigated using Small-Angle Neutron Scattering (SANS) measurements. SANS data are interpreted using both standard linear plots and the Beaucage model. The scattering intensity is dependent by alginate concentration and Ca{sup 2+} concentration. From a critical concentration of 1.0 % w/w our polymer swelled forming spherical structures with rough surfaces. Also the addition of the salt induces the collapse and the appearance of the aggregation and clusters formation.

  18. Ab initio lifetime correction to scattering states for time-dependent electronic-structure calculations with incomplete basis sets

    Science.gov (United States)

    Coccia, Emanuele; Assaraf, Roland; Luppi, Eleonora; Toulouse, Julien

    2017-07-01

    We propose a method for obtaining effective lifetimes of scattering electronic states for avoiding the artificial confinement of the wave function due to the use of incomplete basis sets in time-dependent electronic-structure calculations of atoms and molecules. In this method, using a fitting procedure, the lifetimes are extracted from the spatial asymptotic decay of the approximate scattering wave functions obtained with a given basis set. The method is based on a rigorous analysis of the complex-energy solutions of the Schrödinger equation. It gives lifetimes adapted to any given basis set without using any empirical parameters. The method can be considered as an ab initio version of the heuristic lifetime model of Klinkusch et al. [J. Chem. Phys. 131, 114304 (2009)]. The method is validated on H and He atoms using Gaussian-type basis sets for the calculation of high-harmonic-generation spectra.

  19. Scattering of electromagnetic waves by an non-uniform cylindrical plasma; Diffusion coherente d'une onde electromagnetique par un cylindre de plasma inhomogene

    Energy Technology Data Exchange (ETDEWEB)

    Faugeras, P.E. [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires. Groupe de recherches sur la fusion controlee

    1967-07-01

    The problem of the scattering of plane electromagnetic waves from a non-uniform, cylindrically symmetrical plasma is solved analytically, by a self-consistent field method, for a wave with the electric field parallel to the cylinder axis. Numerical results for the diffracted field are plotted for interesting ranges of the parameters involved: diameter, density on the axis, radial profile of the density, and collision frequencies. The case where the incident field is cylindric (waves surfaces parallel to the cylinder axis) is examined - this permits to connect theoretical calculations and experimental diffraction patterns, and also to explain the diffraction effects observed in a classical microwave interferometry experiment. These results, and the possibility of measuring exactly the diffracted field (showed by experiments with dielectric and metallic rods) lead to a new plasma diagnostic method, based on the diffraction, which has no theoretical limitations and it usable when the classical free-space wave methods are not (plasma diameter lower than 10 wave lengths). The feasibility of this method is tested with a plasma at atmospheric pressure and a 2 mm incident wavelength. The plasma is obtained by the laminar flow of a plasma torch, with a working gas (He or Ar) seeded by potassium (density continuously variable between 10{sup 11} and 10{sup 15} e/cm{sup 3}. Some diffraction patterns by this plasma and for various incident waves, are also given and explained with theoretical calculations. (author) [French] On etudie la diffusion coherente d'une onde electromagnetique par un cylindre de plasma inhomogene par une methode de champ self-consistant, et pour une onde de vecteur electrique parallele a l'axe du cylindre. On a calcule le champ diffracte en faisant varier le diametre du cylindre, la densite sur l'axe, le profil de densite et les frequences de collisions, et on donne ici les principaux resultats. On examine ensuite le cas d'une onde

  20. A combined fit of total scattering and extended x-ray absorption fine structure data for local-structure determination in crystalline materials

    Energy Technology Data Exchange (ETDEWEB)

    Proffen, Thomas E [Los Alamos National Laboratory; Krayzman, Victor [NIST; Levin, Igor [NIST; Tucker, Matt [ISIS, UK

    2009-01-01

    Reverse Monte Carlo (RMC) refinements of local structure using a simultaneous fit of X-ray/neutron total scattering and extended X-ray absorption fine structure (EXAFS) data were developed to incorporate an explicit treatment of both single- and multiple-scattering contributions to EXAFS. The refinement algorithm, implemented as an extension to the public domain computer software RMCProfile, enables accurate modeling of EXAFS over distances encompassing several coordination shells around the absorbing species. The approach was first tested on Ni, which exhibits extensive multiple scattering in EXAFS, and then applied to perovskite-like SrAl{sub 1/2}Nb{sub 1/2}O{sub 3}. This compound crystal1izes with a cubic double-perovskite structure but presents a challenge for local-structure determination using a total pair-distribution function (PDF) alone because of overlapping peaks of the constituent partial PDFs (e.g. Al-O and Nb-O or Sr-O and O-O). The results obtained here suggest that the combined use of the total scattering and EXAFS data provides sufficient constraints for RMC refinements to recover fine details of local structure in complex perovskites. Among other results, it was found that the probability density distribution for Sr in SrAl{sub 1/2}Nb{sub 1/2}O{sub 3} adopts T{sub d} point-group symmetry for the Sr sites, determined by the ordered arrangement of Al and Nb, as opposed to a spherical distribution commonly assumed in traditional Rietveld refinements.

  1. Structure and Dynamics of Confined C-O-H Fluids Relevant to the Subsurface: Application of Magnetic Resonance, Neutron Scattering, and Molecular Dynamics Simulations

    Directory of Open Access Journals (Sweden)

    Siddharth S. Gautam

    2017-06-01

    Full Text Available Geo-fluids consisting of C-O-H volatiles are the main mode of transport of mass and energy throughout the lithosphere and are commonly found confined in pores, grain boundaries and fractures. The confinement of these fluids by porous media at the length scales of a few nanometers gives rise to numerous physical and chemical properties that deviate from the bulk behavior. Studying the structural and dynamical properties of these confined fluids at the length and time scales of nanometers and picoseconds, respectively forms an important component of understanding their behavior. To study confined fluids, non-destructive penetrative probes are needed. Nuclear magnetic resonance (NMR by virtue of its ability to monitor longitudinal and transverse magnetization relaxations of spins, chemical shifts brought about by the chemical environment of a nucleus, and measuring diffusion coefficient provides a good opportunity to study dynamics and chemical structure at the molecular length and time scales. Another technique that gives insights into the dynamics and structure at these length and time scales is neutron scattering (NS. This is because the wavelength and energies of cold and thermal neutrons used in scattering experiments are in the same range as the spatial features and energies involved in the dynamical processes occurring at the molecular level. Molecular Dynamics (MD simulations on the other hand help with the interpretation of the NMR and NS data. Simulations can also supplement the experiments by calculating quantities not easily accessible to experiments. Thus, using NMR, NS, and MD simulations in conjunction, a complete description of the molecular structure and dynamics of confined geo-fluids can be obtained. In the current review, our aim is to show how a synergistic use of these three techniques has helped shed light on the complex behavior of water, CO2, and low molecular weight hydrocarbons. After summarizing the theoretical

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

    Science.gov (United States)

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

    2015-04-14

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

  3. Iterative solution of multiple radiation and scattering problems in structural acoustics using the BL-QMR algorithm

    Energy Technology Data Exchange (ETDEWEB)

    Malhotra, M. [Stanford Univ., CA (United States)

    1996-12-31

    Finite-element discretizations of time-harmonic acoustic wave problems in exterior domains result in large sparse systems of linear equations with complex symmetric coefficient matrices. In many situations, these matrix problems need to be solved repeatedly for different right-hand sides, but with the same coefficient matrix. For instance, multiple right-hand sides arise in radiation problems due to multiple load cases, and also in scattering problems when multiple angles of incidence of an incoming plane wave need to be considered. In this talk, we discuss the iterative solution of multiple linear systems arising in radiation and scattering problems in structural acoustics by means of a complex symmetric variant of the BL-QMR method. First, we summarize the governing partial differential equations for time-harmonic structural acoustics, the finite-element discretization of these equations, and the resulting complex symmetric matrix problem. Next, we sketch the special version of BL-QMR method that exploits complex symmetry, and we describe the preconditioners we have used in conjunction with BL-QMR. Finally, we report some typical results of our extensive numerical tests to illustrate the typical convergence behavior of BL-QMR method for multiple radiation and scattering problems in structural acoustics, to identify appropriate preconditioners for these problems, and to demonstrate the importance of deflation in block Krylov-subspace methods. Our numerical results show that the multiple systems arising in structural acoustics can be solved very efficiently with the preconditioned BL-QMR method. In fact, for multiple systems with up to 40 and more different right-hand sides we get consistent and significant speed-ups over solving the systems individually.

  4. Off-energy-shell behavior of scattering amplitude and the structure of NN potentials

    CERN Document Server

    Almaliev, A N; Shikhalev, M A

    2002-01-01

    For two rather distinct types of NN potentials - with forbidden states and common ones with short-range repulsion - an extensive investigation into off-shell behavior of the scattering amplitudes and associated pp -> pp gamma Bremsstrahlung observables are undertaken. The emphasis is on the action of the shape and deepness of the central part of the potentials on the mentioned quantities. The necessity of taking into consideration the meson-exchange sector of the NN interaction is also stressed. It is shown that, provided one uses potentials which give a good description of phase shifts as well as low off-shell momentum-transfer behavior of the scattering amplitudes, the reaction pp -> pp gamma cannot allow to make a choice between the potentials, at least up to the energy of protons about 400 MeV in laboratory frame

  5. Scattering of a single photon on a two-qubit structure with resonators

    Science.gov (United States)

    Sultanov, A. N.; Karpov, D. S.; Greenberg, Y. S.; Shevchenko, S. N.; Shtygashev, A. A.

    2017-07-01

    In this paper, the scattering of a single photon in a waveguide-resonator-qubit system is studied. An open waveguide is connected to two resonators, located at an arbitrary distance from each other and containing a single qubit each. The scattering of a single photon makes it possible to describe the behavior of the system completely quantum mechanically. We show the existence of Fano resonance, which is a direct manifestation of the interference between the incident photon and virtual photons associated with transitions between the states of the system. The obtained expressions for the transmission coefficients allowed us to take into account the influence of the incident photon frequency on the resonances and their widths.

  6. Assessing Local Structure Motifs Using Order Parameters for Motif Recognition, Interstitial Identification, and Diffusion Path Characterization

    Directory of Open Access Journals (Sweden)

    Nils E. R. Zimmermann

    2017-11-01

    Full Text Available Structure–property relationships form the basis of many design rules in materials science, including synthesizability and long-term stability of catalysts, control of electrical and optoelectronic behavior in semiconductors, as well as the capacity of and transport properties in cathode materials for rechargeable batteries. The immediate atomic environments (i.e., the first coordination shells of a few atomic sites are often a key factor in achieving a desired property. Some of the most frequently encountered coordination patterns are tetrahedra, octahedra, body and face-centered cubic as well as hexagonal close packed-like environments. Here, we showcase the usefulness of local order parameters to identify these basic structural motifs in inorganic solid materials by developing classification criteria. We introduce a systematic testing framework, the Einstein crystal test rig, that probes the response of order parameters to distortions in perfect motifs to validate our approach. Subsequently, we highlight three important application cases. First, we map basic crystal structure information of a large materials database in an intuitive manner by screening the Materials Project (MP database (61,422 compounds for element-specific motif distributions. Second, we use the structure-motif recognition capabilities to automatically find interstitials in metals, semiconductor, and insulator materials. Our Interstitialcy Finding Tool (InFiT facilitates high-throughput screenings of defect properties. Third, the order parameters are reliable and compact quantitative structure descriptors for characterizing diffusion hops of intercalants as our example of magnesium in MnO2-spinel indicates. Finally, the tools developed in our work are readily and freely available as software implementations in the pymatgen library, and we expect them to be further applied to machine-learning approaches for emerging applications in materials science.

  7. Structural model of the 50S subunit of E.Coli ribosomes from solution scattering

    Energy Technology Data Exchange (ETDEWEB)

    Svergun, D.I.; Koch, M.H.J. [Hamburg Outstation (Germany); Pedersen, J.S. [Riso National Laboratory, Roskilde (Denmark); Serdyuk, I.N. [Inst. of Protein Research, Moscow (Russian Federation)

    1994-12-31

    The application of new methods of small-angle scattering data interpretation to a contrast variation study of the 50S ribosomal subunit of Escherichia coli in solution is described. The X-ray data from contrast variation with sucrose are analyzed in terms of the basic scattering curves from the volume inaccessible to sucrose and from the regions inside this volume occupied mainly by RNA and by proteins. From these curves models of the shape of the 50S and its RNA-rich core are evaluated and positioned so that their difference produces a scattering curve which is in good agreement with the scattering from the protein moiety. Basing on this preliminary model, the X-ray and neutron contrast variation data of the 50S subunit in aqueous solutions are interpreted in the frame of the advanced two-phase model described by the shapes of the 50S subunit and its RNA-rich core taking into account density fluctuations inside the RNA and the protein moiety. The shape of the envelope of the 50S subunit and of the RNA-rich core are evaluated with a resolution of about 40A. The shape of the envelope is in good agreement with the models of the 50S subunit obtained from electron microscopy on isolated particles. The shape of the RNA-rich core correlates well with the model of the entire particle determined by the image reconstruction from ordered sheets indicating that the latter model which is based on the subjective contouring of density maps is heavily biased towards the RNA.

  8. Scattering of light by a periodic structure in the presence of ...

    Indian Academy of Sciences (India)

    It has also been used in certain medical imaging applications, for both of which it is ... due to scattering of data, in the sense that it can help in defining the shape of the curve, guided by the earlier trend in the .... Presence of side lobes of shapes similar to f(kx ± Q) is the central theme in the extended matched filtering method ...

  9. Studying Autism Spectrum Disorder with Structural and Diffusion Magnetic Resonance Imaging: A Survey

    Science.gov (United States)

    Ismail, Marwa M. T.; Keynton, Robert S.; Mostapha, Mahmoud M. M. O.; ElTanboly, Ahmed H.; Casanova, Manuel F.; Gimel'farb, Georgy L.; El-Baz, Ayman

    2016-01-01

    Magnetic resonance imaging (MRI) modalities have emerged as powerful means that facilitate non-invasive clinical diagnostics of various diseases and abnormalities since their inception in the 1980s. Multiple MRI modalities, such as different types of the sMRI and DTI, have been employed to investigate facets of ASD in order to better understand this complex syndrome. This paper reviews recent applications of structural magnetic resonance imaging (sMRI) and diffusion tensor imaging (DTI), to study autism spectrum disorder (ASD). Main reported findings are sometimes contradictory due to different age ranges, hardware protocols, population types, numbers of participants, and image analysis parameters. The primary anatomical structures, such as amygdalae, cerebrum, and cerebellum, associated with clinical-pathological correlates of ASD are highlighted through successive life stages, from infancy to adulthood. This survey demonstrates the absence of consistent pathology in the brains of autistic children and lack of research investigations in patients under 2 years of age in the literature. The known publications also emphasize advances in data acquisition and analysis, as well as significance of multimodal approaches that combine resting-state, task-evoked, and sMRI measures. Initial results obtained with the sMRI and DTI show good promise toward the early and non-invasive ASD diagnostics. PMID:27242476

  10. Turbulent structure and dynamics of swirled, strongly pulsed jet diffusion flames

    KAUST Repository

    Liao, Ying-Hao

    2013-11-02

    The structure and dynamics of swirled, strongly pulsed, turbulent jet diffusion flames were examined experimentally in a co-flow swirl combustor. The dynamics of the large-scale flame structures, including variations in flame dimensions, the degree of turbulent flame puff interaction, and the turbulent flame puff celerity were determined from high-speed imaging of the luminous flame. All of the tests presented here were conducted with a fixed fuel injection velocity at a Reynolds number of 5000. The flame dimensions were generally found to be more impacted by swirl for the cases of longer injection time and faster co-flow flow rate. Flames with swirl exhibited a flame length up to 34% shorter compared to nonswirled flames. Both the turbulent flame puff separation and the flame puff celerity generally decreased when swirl was imposed. The decreased flame length, flame puff separation, and flame puff celerity are consistent with a greater momentum exchange between the flame and the surrounding co-flow, resulting from an increased rate of air entrainment due to swirl. Three scaling relations were developed to account for the impact of the injection time, the volumetric fuel-to-air flow rate ratio, and the jet-on fraction on the visible flame length. © 2013 Copyright Taylor and Francis Group, LLC.

  11. An integrated simulator of structure and anisotropic flow in gas diffusion layers with hydrophobic additives

    Science.gov (United States)

    Burganos, Vasilis N.; Skouras, Eugene D.; Kalarakis, Alexandros N.

    2017-10-01

    The lattice-Boltzmann (LB) method is used in this work to reproduce the controlled addition of binder and hydrophobicity-promoting agents, like polytetrafluoroethylene (PTFE), into gas diffusion layers (GDLs) and to predict flow permeabilities in the through- and in-plane directions. The present simulator manages to reproduce spreading of binder and hydrophobic additives, sequentially, into the neat fibrous layer using a two-phase flow model. Gas flow simulation is achieved by the same code, sidestepping the need for a post-processing flow code and avoiding the usual input/output and data interface problems that arise in other techniques. Compression effects on flow anisotropy of the impregnated GDL are also studied. The permeability predictions for different compression levels and for different binder or PTFE loadings are found to compare well with experimental data for commercial GDL products and with computational fluid dynamics (CFD) predictions. Alternatively, the PTFE-impregnated structure is reproduced from Scanning Electron Microscopy (SEM) images using an independent, purely geometrical approach. A comparison of the two approaches is made regarding their adequacy to reproduce correctly the main structural features of the GDL and to predict anisotropic flow permeabilities at different volume fractions of binder and hydrophobic additives.

  12. Studying Autism Spectrum Disorder with Structural and Diffusion Magnetic Resonance Imaging: A Survey

    Directory of Open Access Journals (Sweden)

    Marwa Maher Tawfik Ismail

    2016-05-01

    Full Text Available Magnetic resonance imaging (MRI modalities have emerged as powerful means that facilitatenon-invasive clinical diagnostics of various diseases and abnormalities since their inception in the1980s. Multiple MRI modalities, such as different types of the sMRI and DTI, have been employedto investigate facets of ASD in order to better understand this complex syndrome. This paperreviews recent applications of structural magnetic resonance imaging (sMRI and diffusion tensorimaging (DTI, to study autism spectrum disorder (ASD. Main reported findings are sometimescontradictory due to different age ranges, hardware protocols, population types, numbers of participants,and image analysis parameters. The primary anatomical structures, such as amygdalae,cerebrum, and cerebellum, associated with clinical-pathological correlates of ASD are highlightedthrough successive life stages, from infancy to adulthood. This survey demonstrates the absenceof consistent pathology in the brains of autistic children and lack of research investigations in patientsunder two years of age in the literature. The known publications also emphasize advancesin data acquisition and analysis, as well as significance of multimodal approaches that combineresting-state, task-evoked, and sMRI measures. Initial results obtained with the sMRI and DTIshow good promise towards the early and non-invasive ASD diagnostics.

  13. Quantitative spectroscopic diffuse optical tomography of the breast guided by imperfect a priori structural information

    Science.gov (United States)

    Boverman, Gregory; Miller, Eric L.; Li, Ang; Zhang, Quan; Chaves, Tina; Brooks, Dana H.; Boas, David A.

    2005-09-01

    Spectroscopic diffuse optical tomography (DOT) can directly image the concentrations of physiologically significant chromophores in the body. This information may be of importance in characterizing breast tumours and distinguishing them from benign structures. This paper studies the accuracy with which lesions can be characterized given a physiologically realistic situation in which the background architecture of the breast is heterogeneous yet highly structured. Specifically, in simulation studies, we assume that the breast is segmented into distinct glandular and adipose regions. Imaging with a high-resolution imaging modality, such as magnetic resonance imaging, in conjunction with a segmentation by a clinical expert, allows the glandular/adipose boundary to be determined. We then apply a two-step approach in which the background chromophore concentrations of each region are estimated in a nonlinear fashion, and a more localized lesion is subsequently estimated using a linear perturbational approach. In addition, we examine the consequences which errors in the breast segmentation have on estimating both the background and inhomogeneity chromophore concentrations.

  14. Environmental complexity influences association network structure and network-based diffusion of foraging information in fish shoals.

    Science.gov (United States)

    Webster, Mike M; Atton, Nicola; Hoppitt, William J E; Laland, Kevin N

    2013-02-01

    Socially transmitted information can significantly affect the ways in which animals interact with their environments. We used network-based diffusion analysis, a novel and powerful tool for exploring information transmission, to model the rate at which sticklebacks (Gasterosteus aculeatus) discovered prey patches, comparing shoals foraging in open and structured environments. We found that for groups in the open environment, individuals tended to recruit to both the prey patch and empty comparison patches at similar times, suggesting that patch discovery was not greatly affected by direct social transmission. In contrast, in structured environments we found strong evidence that information about prey patch location was socially transmitted and moreover that the pathway of information transmission followed the shoals' association network structures. Our findings highlight the importance of considering habitat structure when investigating the diffusion of information through populations and imply that association networks take on greater ecological significance in structured than open environments.

  15. Manipulating scattering features by metamaterials

    Directory of Open Access Journals (Sweden)

    Lu Cui

    2016-01-01

    Full Text Available We present a review on manipulations of electromagnetic scattering features by using metamaterials or metasurfaces. Several approaches in controlling the scattered fields of objects are presented, including invisibility cloaks and radar illusions based on transformation optics, carpet cloak using gradient metamaterials, dc cloaks, mantle cloaks based on scattering cancellation, “skin” cloaks using phase compensation, scattering controls with coding/programmable metasurfaces, and scattering reductions by multilayered structures. Finally, the future development of metamaterials on scattering manipulation is predicted.

  16. Small angle scattering study of the structure and organization of RNA and protein in Brome Mosaic Virus (BMV)

    Science.gov (United States)

    Das, Narayan C.; Warren, Garfield T.; Cheng, Si; Kao, C. Cheng; Ni, Peng; Dragnea, Bogdan; Sokol, Paul E.

    2012-02-01

    Brome mosaic virus (BMV) is a small icosahedral of the alpha virus-like superfamily of RNA with a segmented positive-strand RNA genome and a mean diameter ˜ 268å that offers high levels of RNA synthesis and virus production in plants. BMV also tightly regulates the packaging of its four RNAs (RNA1 through RNA4) into three separate particles; RNA1 and RNA2 are encapsidated separately while one copy each of RNA3 and RNA4 are normally packaged together. Small angle neutron scattering (SANS) and small angle X-ray scattering (SAXS) were applied to study the size, shape and protein-RNA organization of BMV. D2O/H2O mixture was used to enhance contrast in SANS measurement. The radial distribution of BMV from the Fourier transform of scattering spectrum gives a clear indication of RNA packing, and distribution and their structure in the BMV. The result reveals that the virus is about 266 å in diameter and is composed of RNA inside the virion coated with a protein shell.

  17. Socially structured human movement shapes dengue transmission despite the diffusive effect of mosquito dispersal

    Directory of Open Access Journals (Sweden)

    Robert C. Reiner, Jr.

    2014-03-01

    Full Text Available For sexually and directly transmitted infectious diseases, social connections influence transmission because they determine contact between individuals. For pathogens that are indirectly transmitted by arthropod vectors, the movement of the vectors is thought to diminish the role of social connections. Results from a recent study of mosquito-borne dengue virus (DENV, however, indicate that human movement alone can explain significant spatial variation in urban transmission rates. Because movement patterns are structured by social ties, this result suggests that social proximity may be a good predictor of infection risk for DENV and other pathogens transmitted by the mosquito Aedes aegypti. Here we investigated the effect of socially structured movement on DENV transmission using a spatially explicit, agent-based transmission model. When individual movements overlap to a high degree within social groups we were able to recreate infection patterns similar to those detected in dengue-endemic, northeastern Peru. Our results are consistent with the hypothesis that social proximity drives fine-scale heterogeneity in DENV transmission rates, a result that was robust to the influence of mosquito dispersal. This heterogeneity in transmission caused by socially structured movements appeared to be hidden by the diffusive effect of mosquito dispersal in aggregated infection dynamics, which implies this heterogeneity could be present and active in real dengue systems without being easily noticed. Accounting for socially determined, overlapping human movements could substantially improve the efficiency and efficacy of dengue surveillance and disease prevention programs as well as result in more accurate estimates of important epidemiological quantities, such as R0.

  18. Diffuse pionic gamma-ray emission from large-scale structures in the Fermi era

    Energy Technology Data Exchange (ETDEWEB)

    Dobardžić, A. [Department of Astronomy, Faculty of Mathematics, University of Belgrade, Studentski trg 16, 11000 Belgrade (Serbia); Prodanović, T., E-mail: aleksandra@matf.bg.ac.rs, E-mail: prodanvc@df.uns.ac.rs [Department of Physics, University of Novi Sad, Trg Dositeja Obradovića 4, 21000 Novi Sad (Serbia)

    2014-02-20

    For more than a decade now, the complete origin of the diffuse gamma-ray emission background (EGRB) has been unknown. Major components like unresolved star-forming galaxies (making ≲ 50% of the EGRB) and blazars (≲ 23%), have failed to explain the entire background observed by Fermi. Another, though subdominant, contribution is expected to come from the process of large-scale structure formation. The growth of structures is accompanied by accretion and merger shocks, which would, with at least some magnetic field present, give rise to a population of structure-formation cosmic rays (SFCRs). Though expected, this cosmic-ray population is still hypothetical and only very weak limits have been placed to their contribution to the EGRB. The most promising insight into SFCRs was expected to come from Fermi-LAT observations of clusters of galaxies, however, only upper limits and no detection have been placed. Here, we build a model of gamma-ray emission from large-scale accretion shocks implementing a source evolution calibrated with the Fermi-LAT cluster observation limits. Though our limits to the SFCR gamma-ray emission are weak (above the observed EGRB) in some cases, in others, some of our models can provide a good fit to the observed EGRB. More importantly, we show that these large-scale shocks could still give an important contribution to the EGRB, especially at high energies. Future detections of cluster gamma-ray emission would help place tighter constraints on our models and give us a better insight into large-scale shocks forming around them.

  19. Geography, Structure and Evolution of Diffusion and Perfusion Lesions in DEFUSE

    Science.gov (United States)

    Olivot, Jean-Marc; Mlynash, Michael; Thijs, Vincent N.; Purushotham, Archana; Kemp, Stephanie; Lansberg, Maarten G.; Wechsler, Lawrence; Gold, Garry E; Bammer, Roland; Marks, Michael P.; Albers, Gregory W.

    2009-01-01

    Background The classical representation of acute ischemic lesions on MRI is a central diffusion-weighted imaging (DWI) lesion embedded in a perfusion-weighted imaging (PWI) lesion. We investigated spatial relationships between final infarcts and early DWI/PWI lesions before and after intravenous thrombolysis in DEFUSE. Methods Baseline and follow-up DWI and PWI lesions and 30 day FLAIR scans of 32 patients were co-registered. Lesion geography was defined by the proportion of the DWI lesion superimposed by a Tmax>4 seconds PWI lesion; type 1: >50% overlap and type 2: ≤ 50% overlap. Three-dimensional structure was dichotomized into single lesion (1 DWI and 1 PWI lesion) vs. multiple lesions. Lesion reversal was defined by the percentage of the baseline DWI or PWI lesion not superimposed by the early follow-up DWI or PWI lesion. Final infarct prediction was estimated by the proportion of the final infarct superimposed on the union of the DWI and PWI lesions. Results Single lesion structure with type 1 geography was present in only nine patients (28%) at baseline and 4 (12%) on early follow-up. In these patients, PWI and DWI lesions were more likely to correspond with the final infarcts. DWI reversal was greater among patients with type 2 geography at baseline. Patients with multiple lesions and type 2 geography at early follow-up were more likely to have early reperfusion. Conclusion Prior to thrombolytic therapy in the 3–6 hour time window, type 2 geography is predominant and associated with DWI reversal. Following thrombolysis, both type 2 geography and multiple lesion structure are associated with reperfusion. PMID:19679845

  20. Analytical complex at the PIK reactor for studying the supra-atomic structure and dynamics of materials by neutron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Lebedev, V. M., E-mail: lebedev@pnpi.spb.ru; Lebedev, V. T.; Ivanova, I. N.; Orlova, D. N. [Russian Academy of Sciences, St. Petersburg Nuclear Physics Institute (Russian Federation)

    2011-12-15

    A project of the center for studying reactor materials and solving problems of materials science is presented which will be equipped with the following neutron instruments: a small-angle Membrana diffractometer, a spin-echo spectrometer, and a time-of-flight spectrometer. It is proposed to irradiate materials in the PIK reactor core and use neutron-scattering tools to analyze the structure and dynamics of these materials and investigate radiative defects in the complete experimental cycle (initial material-irradiation-strength tests, thermal loads, and other effects) using materials science techniques.

  1. Studies of Band Structure and Free Carrier Scattering in Transparent Conducting Oxides Based on Combined Measurements of Electron Transport Phenomena

    Energy Technology Data Exchange (ETDEWEB)

    Kaydanov, V. I.; Coutts, T. J.; Young, D. L.

    2000-10-31

    Experimental methods are discussed for studying band structure, effective mass, and other electronic properties relevant to mobility, including scattering mechanisms, relaxation time, and the influence of grain boundaries (GBs) in polycrystalline transparent conducting oxide (TCO) films. Impedance spectroscopy permits evaluation of the GB potential barrier height and density-of-states. These studies enable an estimate of the limiting mobility achievable for practical transparent conducting oxides to be made. The equipment for measurement of the four transport coefficients is discussed, and examples of its application to films of ZnO, SnO2, and Cd2SnO4 are given.

  2. Lateral structural variations in thin cellulose layers investigated by microbeam grazing incidence small-angle X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Roth, S.V. [HASYLAB at DESY, Notkestr. 85, D-22603 Hamburg (Germany)]. E-mail: sroth@esrf.fr; Artus, G.R.J. [Phys.-Chem. Inst., Univ. Zurich, Winterthurerstr. 190, CH-8057 Zurich (Switzerland); Rankl, M. [Phys.-Chem. Inst., Univ. Zurich, Winterthurerstr. 190, CH-8057 Zurich (Switzerland); Seeger, S. [Phys.-Chem. Inst., Univ. Zurich, Winterthurerstr. 190, CH-8057 Zurich (Switzerland); Burghammer, M. [ESRF, B.P. 220, F-38043 Grenoble Cedex 9 (France); Riekel, C. [ESRF, B.P. 220, F-38043 Grenoble Cedex 9 (France); Mueller-Buschbaum, P. [TU Muenchen, Phy.-Dept. E13, James-Franck-Str.1, D-85748 Garching (Germany)

    2005-02-28

    The Langmuir-Blodgett technique is a powerful tool to obtain large-scale thin films. We investigate a thin layer of modified cellulose by atomic force microscopy and microbeam grazing-incidence small angle X-ray scattering. We probe the lateral nanostructure of the as-prepared cellulose layer. The results indicate a lateral structural variation in the arrangement of the cellulose molecules parallel to the dipping direction. These variations occur on a length scale on the order of 100{mu}m.

  3. Analysis of the possibility of determining the internal structure of composite material by estimating its thermal diffusivity

    Directory of Open Access Journals (Sweden)

    Kucypera Stanisław

    2014-03-01

    Full Text Available The aim of this paper is analysis of the possibility of determining the internal structure of the fibrous composite material by estimating its thermal diffusivity. A thermal diffusivity of the composite material was determined by applying inverse heat conduction method and measurement data. The idea of the proposed method depends on measuring the timedependent temperature distribution at selected points of the sample and identification of the thermal diffusivity by solving a transient inverse heat conduction problem. The investigated system which was used for the identification of thermal parameters consists of two cylindrical samples, in which transient temperature field is forced by the electric heater located between them. The temperature response of the system is measured in the chosen point of sample. One dimensional discrete mathematical model of the transient heat conduction within the investigated sample has been formulated based on the control volume method. The optimal dynamic filtration method as solution of the inverse problem has been applied to identify unknown diffusivity of multi-layered fibrous composite material. Next using this thermal diffusivity of the composite material its internal structure was determined. The chosen results have been presented in the paper.

  4. Multimodality Imaging Approach in Alzheimer disease. Part I: Structural MRI, Functional MRI, Diffusion Tensor Imaging and Magnetization Transfer Imaging

    Directory of Open Access Journals (Sweden)

    Chetsadaporn Promteangtrong

    Full Text Available ABSTRACT The authors make a complete review of the potential clinical applications of traditional and novel magnetic resonance imaging (MRI techniques in the evaluation of patients with Alzheimer's disease, including structural MRI, functional MRI, diffusion tension imaging and magnetization transfer imaging.

  5. Review of Recent Progress of Plasmonic Materials and Nano-Structures for Surface-Enhanced Raman Scattering

    Science.gov (United States)

    Wang, Alan X.; Kong, Xianming

    2015-01-01

    Surface-enhanced Raman scattering (SERS) has demonstrated single-molecule sensitivity and is becoming intensively investigated due to its significant potential in chemical and biomedical applications. SERS sensing is highly dependent on the substrate, where excitation of the localized surface plasmons (LSPs) enhances the Raman scattering signals of proximate analyte molecules. This paper reviews research progress of SERS substrates based on both plasmonic materials and nano-photonic structures. We first discuss basic plasmonic materials, such as metallic nanoparticles and nano-rods prepared by conventional bottom-up chemical synthesis processes. Then, we review rationally-designed plasmonic nano-structures created by top-down approaches or fine-controlled synthesis with high-density hot-spots to provide large SERS enhancement factors (EFs). Finally, we discuss the research progress of hybrid SERS substrates through the integration of plasmonic nano-structures with other nano-photonic devices, such as photonic crystals, bio-enabled nanomaterials, guided-wave systems, micro-fluidics and graphene. PMID:26900428

  6. Review of Recent Progress of Plasmonic Materials and Nano-Structures for Surface-Enhanced Raman Scattering.

    Science.gov (United States)

    Wang, Alan X; Kong, Xianming

    2015-06-01

    Surface-enhanced Raman scattering (SERS) has demonstrated single-molecule sensitivity and is becoming intensively investigated due to its significant potential in chemical and biomedical applications. SERS sensing is highly dependent on the substrate, where excitation of the localized surface plasmons (LSPs) enhances the Raman scattering signals of proximate analyte molecules. This paper reviews research progress of SERS substrates based on both plasmonic materials and nano-photonic structures. We first discuss basic plasmonic materials, such as metallic nanoparticles and nano-rods prepared by conventional bottom-up chemical synthesis processes. Then, we review rationally-designed plasmonic nano-structures created by top-down approaches or fine-controlled synthesis with high-density hot-spots to provide large SERS enhancement factors (EFs). Finally, we discuss the research progress of hybrid SERS substrates through the integration of plasmonic nano-structures with other nano-photonic devices, such as photonic crystals, bio-enabled nanomaterials, guided-wave systems, micro-fluidics and graphene.

  7. The structure of P85 pluronic block copolymer micelles determined by small-angle neutron scattering

    DEFF Research Database (Denmark)

    Pedersen, J.S.; Gerstenberg, M.C.

    2003-01-01

    The symmetric triblock copolymer Pluronic P85 with EO(25)PO(40)EO(25) has been studied by small-angle neutron scattering (SANS) at 50 and 60 degreesC at concentrations of 0.25-10 wt.% in D(2)O. The data are analyzed by a model based on Monte Carlo simulations. The micelles are modeled as having...... a spherical core of poly(propylene oxide) (PPO) with some water surrounded by a corona of the poly(ethylene oxide) (PEO) block. The latter are non-interacting and obey Gaussian statistics, but are expelled from the core region. The analysis shows that the micelles are fairly concentration and temperature...

  8. Co-analysis of brain structure and function using fMRI and diffusion-weighted imaging.

    Science.gov (United States)

    Phillips, Jeffrey S; Greenberg, Adam S; Pyles, John A; Pathak, Sudhir K; Behrmann, Marlene; Schneider, Walter; Tarr, Michael J

    2012-11-08

    The study of complex computational systems is facilitated by network maps, such as circuit diagrams. Such mapping is particularly informative when studying the brain, as the functional role that a brain area fulfills may be largely defined by its connections to other brain areas. In this report, we describe a novel, non-invasive approach for relating brain structure and function using magnetic resonance imaging (MRI). This approach, a combination of structural imaging of long-range fiber connections and functional imaging data, is illustrated in two distinct cognitive domains, visual attention and face perception. Structural imaging is performed with diffusion-weighted imaging (DWI) and fiber tractography, which track the diffusion of water molecules along white-matter fiber tracts in the brain (Figure 1). By visualizing these fiber tracts, we are able to investigate the long-range connective architecture of the brain. The results compare favorably with one of the most widely-used techniques in DWI, diffusion tensor imaging (DTI). DTI is unable to resolve complex configurations of fiber tracts, limiting its utility for constructing detailed, anatomically-informed models of brain function. In contrast, our analyses reproduce known neuroanatomy with precision and accuracy. This advantage is partly due to data acquisition procedures: while many DTI protocols measure diffusion in a small number of directions (e.g., 6 or 12), we employ a diffusion spectrum imaging (DSI)(1, 2) protocol which assesses diffusion in 257 directions and at a range of magnetic gradient strengths. Moreover, DSI data allow us to use more sophisticated methods for reconstructing acquired data. In two experiments (visual attention and face perception), tractography reveals that co-active areas of the human brain are anatomically connected, supporting extant hypotheses that they form functional networks. DWI allows us to create a "circuit diagram" and reproduce it on an individual-subject basis

  9. A new approach to structural integrity assessment based on axial and radial diffusivities.

    Science.gov (United States)

    Wheeler-Kingshott, Claudia A M; Ciccarelli, Olga; Schneider, Torben; Alexander, Daniel C; Cercignani, Mara

    2012-01-01

    This study describes a method for performing diffusivity measures along and across a specific direction, derived from white matter in healthy controls. The diffusion tensor (DT) assigns a principal eigenvector (v₁) and eigenvalue (axial diffusivity, d(ax)) to each voxel. The average of the second and third eigenvalues is the radial diffusivity, d(rad) v₁ may be affected by pathology, therefore when comparing d(ax) and d(rad) in patients one has to consider the direction of the measurement and underlying anatomy. Here we created a representative super-DT dataset, DT(ref), whose eigenvector, v(1,ref), was considered the most likely direction of diffusivity per voxel. We defined the projected axial diffusivity, d(p-ax), as the projection of individual DTs along v(1,ref) and the projected radial diffusivity, d(p-rad), as the average of the projections along the second and third eigenvectors of DT(ref). The projected diffusivities are promising new parameters for studying white matter pathology.

  10. Contribution to the study of proton elastic and inelastic scattering on {sup 12}C; Contribution a l'etude des diffusions elastiques et inelastiques des protons sur le carbone 12

    Energy Technology Data Exchange (ETDEWEB)

    Sadeghi, A

    1966-07-01

    The results of absolute measurements of cross sections for the scattering of protons by {sup 12}C to the two first excited levels are given. The measurements were made from 4.6 to 11.4 MeV at 17 angles for (p,p) and at 15 angles for (p,p') (1. excited level) as well as 8 angles for (p,p'') (2. excited level). A gaseous target with differential pumping was used. The elastic scattering was analyzed using the R-matrix theory with the optical model. Then a new analysis of both (p,p) and (p,p') was achieved using the coupled-wave formalism. The information on the levels of the compound nucleus was completed and was confirmed. (author) [French] Cette these rapporte le resultat de mesures absolues des sections efficaces de diffusion p,p et pp' (conduisant aux deux premiers niveaux excites) de protons par '1'2C. Ces mesures ont ete faites de 4,6 a 11,4 MeV, a 17 angles pour (p,p), a 15 angles pour pp' (1er niveau excite) et a 8 angles pour pp'' (2eme niveau excite). Une chambre a cible gazeuse avec pompage differentiel a ete utilisee. La diffusion elastique a ete analysee au moyen de la theorie de la matrice R avec modele optique pour (p,p). Cette analyse a ete reprise en meme temps que celle de la diffusion inelastique par l'emploi d'equations couplees. Les resultats anterieurs sur les niveaux du noyau compose ont ete confirmes et completes. (auteur)

  11. Diffuse optical tomography with structured-light patterns to quantify breast density

    Science.gov (United States)

    Kwong, Jessica; Nouizi, Farouk; Cho, Jaedu; Zheng, Jie; Li, Yifan; Chen, Jeon-hor; Su, Min-Ying; Gulsen, Gultekin

    2016-02-01

    Breast density is an independent risk factor for breast cancer, where women with denser breasts are more likely to develop cancer. By identifying women at higher risk, healthcare providers can suggest screening at a younger age to effectively diagnose and treat breast cancer in its earlier stages. Clinical risk assessment models currently do not incorporate breast density, despite its strong correlation with breast cancer. Current methods to measure breast density rely on mammography and MRI, both of which may be difficult to use as a routine risk assessment tool. We propose to use diffuse optical tomography with structured-light to measure the dense, fibroglandular (FGT) tissue volume, which has a different chromophore signature than the surrounding adipose tissue. To test the ability of this technique, we performed simulations by creating numerical breast phantoms from segmented breast MR images. We looked at two different cases, one with a centralized FGT distribution and one with a dispersed distribution. As expected, the water and lipid volumes segmented at half-maximum were overestimated for the dispersed case. However, it was noticed that the recovered water and lipid concentrations were lower and higher, respectively, than the centralized case. This information may provide insight into the morphological distribution of the FGT and can be a correction in estimating the breast density.

  12. Structural connectivity of the human anterior temporal lobe: a diffusion magnetic resonance imaging study

    Science.gov (United States)

    Papinutto, Nico; Galantucci, Sebastiano; Mandelli, Maria Luisa; Gesierich, Benno; Jovicich, Jorge; Caverzasi, Eduardo; Henry, Roland G.; Seeley, William W.; Miller, Bruce L.; Shapiro, Kevin A.; Gorno-Tempini, Maria Luisa

    2016-01-01

    The anterior temporal lobes (ATL) have been implicated in a range of cognitive functions including auditory and visual perception, language, semantic knowledge, and social-emotional processing. However, the anatomical relationships between the ATLs and the broader cortical networks that subserve these functions have not been fully elucidated. Using diffusion tensor imaging (DTI) and probabilistic tractography, we tested the hypothesis that functional segregation of information in the ATLs is reflected by distinct patterns of structural connectivity to regions outside the ATLs. We performed a parcellation of the ATLs bilaterally based on the degree of connectivity of each voxel with eight ipsilateral target regions known to be involved in various cognitive networks. Six discrete segments within each ATL showed preferential connectivity to one of the ipsilateral target regions, via four major fiber tracts (the uncinate, inferior longitudinal, middle longitudinal, and arcuate fasciculi). Two noteworthy interhemispheric differences were observed: connections between the ATL and orbito-frontal areas were stronger in the right hemisphere, while the consistency of the connection between the ATL and the inferior frontal gyrus through the arcuate fasciculus was greater in the left hemisphere. Our findings support the hypothesis that distinct regions within the ATLs have anatomical connections to different cognitive networks. PMID:26945805

  13. The Effects of Flame Structure on Extinction of CH4-O2-N2 Diffusion Flames

    Science.gov (United States)

    Du, J.; Axelbaum, R. L.; Gokoglu, S. (Technical Monitor)

    1996-01-01

    The effects of flame structure on the extinction limits of CH4-O2-N2 counterflow diffusion flames were investigated experimentally and numerically by varying the stoichiometric mixture fraction Z(sub st), Z(sub st) was varied by varying free-stream concentrations, while the adiabatic flame temperature T(sub ad) was held fixed by maintaining a fixed amount of nitrogen at the flame. Z(sub st) was varied between 0.055 (methane-air flame) and 0.78 (diluted- methane-oxygen flame). The experimental results yielded an extinction strain rate K(sub ext) of 375/s for the methane-air flame, increasing monotonically to 1042/s for the diluted-methane-oxygen flame. Numerical results with a 58-step Cl mechanism yielded 494/s and 1488/s, respectively. The increase in K(sub ext) with Z(sub st) for a fixed T(sub ad) is explained by the shift in the O2 profile toward the region of maximum temperature and the subsequent increase in rates for chain-branching reactions. The flame temperature at extinction reached a minimum at Z(sub st) = 0.65, where it was 200 C lower than that of the methane-air flame. This significant increase in resistance to extinction is seen to correspond to the condition in which the OH and O production zones are centered on the location of maximum temperature.

  14. Structure, hydrolysis and diffusion of aqueous vanadium ions from Car-Parrinello molecular dynamics

    CERN Document Server

    Jiang, Zhen; Alexandrov, Vitaly

    2016-01-01

    A molecular level understanding of the properties of electroactive vanadium species in aqueous solution is crucial for enhancing the performance of vanadium redox flow batteries (RFB). Here, we employ Car-Parrinello molecular dynamics (CPMD) simulations based on density functional theory to investigate the hydration structures, first hydrolysis reaction and diffusion of aqueous V$^{2+}$, V$^{3+}$, VO$^{2+}$, and VO$_2^+$ ions at 300 K. The results indicate that the first hydration shell of both V$^{2+}$ and V$^{3+}$ contains six water molecules, while VO$^{2+}$ is coordinated to five and VO$_2^+$ to three water ligands. The first acidity constants (p$K_\\mathrm{a}$) estimated using metadynamics simulations are 2.47, 3.06 and 5.38 for aqueous V$^{3+}$, VO$_2^+$ and VO$^{2+}$, respectively, while V$^{2+}$ is predicted to be a fairly weak acid in aqueous solution with a p$K_\\mathrm{a}$ value of 6.22. We also show that the presence of chloride ions in the first coordination sphere of the aqueous VO$_2^+$ ion has a...

  15. Flame Structure and Chemiluminescence Emissions of Inverse Diffusion Flames under Sinusoidally Driven Plasma Discharges

    Directory of Open Access Journals (Sweden)

    Maria Grazia De Giorgi

    2017-03-01

    Full Text Available Reduction of nitric oxides (NOx in aircraft engines and in gas turbines by lean combustion is of great interest in the design of novel combustion systems. However, the stabilization of the flame under lean conditions is a main issue. In this context, the present work investigates the effects of sinusoidal dielectric barrier discharge (DBD on a lean inverse diffusive methane/air flame in a Bunsen-type burner under different actuation conditions. The flame appearance was investigated with fixed methane loading (mass flux, but with varying inner airflow rate. High-speed flame imaging was done by using an intensified (charge-coupled device CCD camera equipped with different optical filters in order to selectively record signals from the chemiluminescent species OH*, CH*, or CO2* to evaluate the flame behavior in presence of plasma actuation. The electrical power consumption was less than 33 W. It was evident that the plasma flame enhancement was significantly influenced by the plasma discharges, particularly at high inner airflow rates. The flame structure changes drastically when the dissipated plasma power increases. The flame area decreases due to the enhancement of mixing and chemical reactions that lead to a more anchored flame on the quartz exit with a reduction of the flame length.

  16. Leading nucleons from peripheral processes in lepton deep inelastic scattering and the nucleon structure

    CERN Document Server

    Szczurek, A

    1999-01-01

    The experimental information on nucleon production in lepton deep inelastic scattering (DIS) is rather scarce. Recently there is a growing interest in understanding the mechanism of the production of baryons in DIS, stimulated by recent results on leading protons and neutrons from electron-proton scattering at HERA. I review on different peripheral mechanisms of nucleon (proton or neutron) production in lepton DIS and discuss their role in understanding the spectra of nucleons for both fixed target and collider experiments. In DIS ep to e'Xh, the QCD hardness scale gradually diminishes from the hard scale, Q/sup 2/, in the virtual photon (current) fragmentation region to the soft, hadronic, scale in the proton (target) fragmentation region. This suggests a similarity of the inclusive spectra of leading protons and neutrons, h=p, n, in high energy hadron-proton collisions and in lepton DIS at small Bjorken-x. The semi-inclusive cross section for production of slow protons in charged-current deep inelastic (ant...

  17. White matter structures associated with creativity: evidence from diffusion tensor imaging.

    Science.gov (United States)

    Takeuchi, Hikaru; Taki, Yasuyuki; Sassa, Yuko; Hashizume, Hiroshi; Sekiguchi, Atsushi; Fukushima, Ai; Kawashima, Ryuta

    2010-05-15

    Creativity has been essential to the development of human civilization and plays a crucial role in cultural life. However, despite literature that has proposed the importance of structural connectivity in the brain for creativity, the relationship between regional white matter integrity and creativity has never been directly investigated. In this study, we used diffusion tensor imaging and a behavioral creativity test of divergent thinking to investigate the relationship between creativity and structural connectivity. We examined associations between creativity and fractional anisotropy across the brain in healthy young adult (mean age, 21.7 years old; [SD]=1.44) men (n=42) and women (n=13). After controlling for age, sex, and score on Raven's advanced progressive matrices, a test for psychometric measures of intelligence, significant positive relationships between fractional anisotropy and individual creativity as measured by the divergent thinking test were observed in the white matter in or adjacent to the bilateral prefrontal cortices, the body of the corpus callosum, the bilateral basal ganglia, the bilateral temporo-parietal junction and the right inferior parietal lobule. As a whole, these findings indicate that integrated white matter tracts underlie creativity. These pathways involve the association cortices and the corpus callosum, which connect information in distant brain regions and underlie diverse cognitive functions that support creativity. Thus, our results are congruent with the ideas that creativity is associated with the integration of conceptually distant ideas held in different brain domains and architectures and that creativity is supported by diverse high-level cognitive functions, particularly those of the frontal lobe. Copyright (c) 2010 Elsevier Inc. All rights reserved.

  18. Progressive gender differences of structural brain networks in healthy adults: a longitudinal, diffusion tensor imaging study.

    Directory of Open Access Journals (Sweden)

    Yu Sun

    Full Text Available Sexual dimorphism in the brain maturation during childhood and adolescence has been repeatedly documented, which may underlie the differences in behaviors and cognitive performance. However, our understanding of how gender modulates the development of structural connectome in healthy adults is still not entirely clear. Here we utilized graph theoretical analysis of longitudinal diffusion tensor imaging data over a five-year period to investigate the progressive gender differences of brain network topology. The brain networks of both genders showed prominent economical "small-world" architecture (high local clustering and short paths between nodes. Additional analysis revealed a more economical "small-world" architecture in females as well as a greater global efficiency in males regardless of scan time point. At the regional level, both increased and decreased efficiency were found across the cerebral cortex for both males and females, indicating a compensation mechanism of cortical network reorganization over time. Furthermore, we found that weighted clustering coefficient exhibited significant gender-time interactions, implying different development trends between males and females. Moreover, several specific brain regions (e.g., insula, superior temporal gyrus, cuneus, putamen, and parahippocampal gyrus exhibited different development trajectories between males and females. Our findings further prove the presence of sexual dimorphism in brain structures that may underlie gender differences in behavioral and cognitive functioning. The sex-specific progress trajectories in brain connectome revealed in this work provide an important foundation to delineate the gender related pathophysiological mechanisms in various neuropsychiatric disorders, which may potentially guide the development of sex-specific treatments for these devastating brain disorders.

  19. Progressive gender differences of structural brain networks in healthy adults: a longitudinal, diffusion tensor imaging study.

    Science.gov (United States)

    Sun, Yu; Lee, Renick; Chen, Yu; Collinson, Simon; Thakor, Nitish; Bezerianos, Anastasios; Sim, Kang

    2015-01-01

    Sexual dimorphism in the brain maturation during childhood and adolescence has been repeatedly documented, which may underlie the differences in behaviors and cognitive performance. However, our understanding of how gender modulates the development of structural connectome in healthy adults is still not entirely clear. Here we utilized graph theoretical analysis of longitudinal diffusion tensor imaging data over a five-year period to investigate the progressive gender differences of brain network topology. The brain networks of both genders showed prominent economical "small-world" architecture (high local clustering and short paths between nodes). Additional analysis revealed a more economical "small-world" architecture in females as well as a greater global efficiency in males regardless of scan time point. At the regional level, both increased and decreased efficiency were found across the cerebral cortex for both males and females, indicating a compensation mechanism of cortical network reorganization over time. Furthermore, we found that weighted clustering coefficient exhibited significant gender-time interactions, implying different development trends between males and females. Moreover, several specific brain regions (e.g., insula, superior temporal gyrus, cuneus, putamen, and parahippocampal gyrus) exhibited different development trajectories between males and females. Our findings further prove the presence of sexual dimorphism in brain structures that may underlie gender differences in behavioral and cognitive functioning. The sex-specific progress trajectories in brain connectome revealed in this work provide an important foundation to delineate the gender related pathophysiological mechanisms in various neuropsychiatric disorders, which may potentially guide the development of sex-specific treatments for these devastating brain disorders.

  20. Structural and magnetic properties of transition metal substituted BaFe2As2 compounds studied by x-ray and neutron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Min Gyu [Iowa State Univ., Ames, IA (United States)

    2012-01-01

    The purpose of my dissertation is to understand the structural and magnetic properties of the newly discovered FeAs-based superconductors and the interconnection between superconductivity, antiferromagnetism, and structure. X-ray and neutron scattering techniques are powerful tools to directly observe the structure and magnetism in this system. I used both x-ray and neutron scattering techniques on different transition substituted BaFe2As2 compounds in order to investigate the substitution dependence of structural and magnetic transitions and try to understand the connections between them.

  1. Light scattering study on the size and structure of calcium phosphate/hydroxyapatite flocs formed in sugar solutions.

    Science.gov (United States)

    Greenwood, Judy; Rainey, Tom; Doherty, William O S

    2007-02-01

    The formation, flocculation and sedimentation of calcium phosphate particles are among the main physico-chemical reactions that occur during the clarification of cane sugar juice. The mechanisms through which processes occur in juice clarification are still poorly understood. This study (being part of a comprehensive investigation to unravel these mechanisms) reports on the size and structure of calcium phosphate particles and aggregates in water and sugar solutions at 20 degrees C using the small angle laser light scattering technique. The average size of the primary calcium phosphate particles was in the range 10.4+/-1.1 microm to 17.5+/-1.2 microm and the scattering exponents, which describe the structure of the calcium phosphate flocs, varied from 1.97 to 2.76. The flocs formed without flocculant are more compact in water than those formed in sugar solution. The compactness of the flocs was also affected by pH of the solution. This effect has been explained by considering the electrical double layer phenomenon.

  2. Molecular structures of fluid phosphatidylethanolamine bilayers obtained from simulation-to-experiment comparisons and experimental scattering density profiles.

    Science.gov (United States)

    Kučerka, Norbert; van Oosten, Brad; Pan, Jianjun; Heberle, Frederick A; Harroun, Thad A; Katsaras, John

    2015-02-05

    Following our previous efforts in determining the structures of commonly used PC, PG, and PS bilayers, we continue our studies of fully hydrated, fluid phase PE bilayers. The newly designed parsing scheme for PE bilayers was based on extensive MD simulations, and is utilized in the SDP analysis of both X-ray and neutron (contrast varied) scattering measurements. Obtained experimental scattering form factors are directly compared to our simulation results, and can serve as a benchmark for future developed force fields. Among the evaluated structural parameters, namely, area per lipid A, overall bilayer thickness DB, and hydrocarbon region thickness 2DC, the PE bilayer response to changing temperature is similar to previously studied bilayers with different headgroups. On the other hand, the reduced hydration of PE headgroups, as well as the strong hydrogen bonding between PE headgroups, dramatically affects lateral packing within the bilayer. Despite sharing the same glycerol backbone, a markedly smaller area per lipid distinguishes PE from other bilayers (i.e., PC, PG, and PS) studied to date. Overall, our data are consistent with the notion that lipid headgroups govern bilayer packing, while hydrocarbon chains dominate the bilayer's response to temperature changes.

  3. Effect of the form of the height-height correlation function on diffuse x-ray scattering from a self-affine surface

    NARCIS (Netherlands)

    Palasantzas, G.; Krim, J.

    1993-01-01

    Height-height correlations for self-affine surfaces with finite horizontal cutoffs are generally modeled by exponential forms. Three mathematically acceptable, alternate forms for the height-height correlation function are investigated, to explore their impact on the analysis of diffuse

  4. Scatter view on European tax structures. Summary: Hajus vaade Euroopa Liidu riikide maksustruktuuridele

    Directory of Open Access Journals (Sweden)

    Viktor Trasberg

    2013-09-01

    Full Text Available The paper analyses European Union countries tax structure changes during the last decade. Particular interest is related with correlations between tax structure and economic growth. There is argued, that the tax structure has an important impact on growth. The EU Commission proposes to shift tax burden from labor taxation to consumption to stimulate growth. However, is the tax structure and economic growth really related? The paper brings out structural changes in EU countries tax structures and impact of taxation to growth

  5. Precise measurement in elastic electron scattering: HAPPEX and E-158 experiments; Mesures precises de violation de parite en diffusion d'electrons: experiences HAPPEX et E-158

    Energy Technology Data Exchange (ETDEWEB)

    Vacheret, A

    2004-12-01

    Parity Violation asymmetry measurements in elastic electron scattering are in one hand an interesting way of retrieving new informations about the sea quarks of the nucleon and in the other hand a powerful test of the Standard Model electroweak sector at low energy. This thesis describes the HAPPEX experiment at JLab and the E-158 experiment at SLAC (USA) which measure de parity violation asymmetries in elastic scattering of polarized electron on nuclei like Hydrogen or Helium and on atomic electrons. With the measurements on hadronic targets one can extract the strange quarks contribution to the charge and current density of the nucleon. With the electron-electron scattering one can test the standard model at the loop level and far from the Z pole by extracting sin{sup 2} {theta}{sub W}. In this thesis we describe the formalism associated with the electroweak probe. We present in detail the experimental methods used to make such precise measurements of parity violation asymmetry. Then, we describe the experimental set-up of each experiment and in particular the electron detector and the feedback loop on the beam current for the HAPPEX experiment and the analysis of E-158 run III with a dedicated systematic study on the beam sub-pulse fluctuations. We present the preliminary results for each experiment with a comparison with the other existing results and the future experiments. (author)

  6. Spin-echo small-angle neutron scattering study of the structure organization of the chromatin in biological cell

    Science.gov (United States)

    Iashina, E. G.; Bouwman, W. G.; Duif, C. P.; Filatov, M. V.; Grigoriev, S. V.

    2017-06-01

    Spin-echo small-angle scattering (SESANS) technique is a method to measure the structure of materials from nano- to micrmeter length scales. This method could be important for studying the packaging of DNA in the eukaryotic cell. We measured the SESANS function from chicken erythrocyte nuclei which is well fitted by the exponential function G(z) = exp(-z/ξ), where ξ is the correlation length of a nucleus (in experimental data ξ = 3, 3 μm). The exponential decay of G(z) corresponds to the logarithmic pair correlation function γ(r) = ln(ξ/r). As the sensitivity of the SESANS signal depends on the neutron wavelength, we propose the SESANS setup with the changeable wavelength in the range from 2 to 12 Å. Such option allows one to study in great detail the internal structure of the biological cell in the length scale from 10-2 μm to 10 μm.

  7. Leather structure determination by small-angle X-ray scattering (SAXS): cross sections of ovine and bovine leather.

    Science.gov (United States)

    Basil-Jones, Melissa M; Edmonds, Richard L; Allsop, Timothy F; Cooper, Sue M; Holmes, Geoff; Norris, Gillian E; Cookson, David J; Kirby, Nigel; Haverkamp, Richard G

    2010-05-12

    SAXS has been applied to structural determination in leather. The SAXS beamline at the Australian Synchrotron provides 6 orders of magnitude dynamic range, enabling a rich source of structural information from scattering patterns of leather sections. SAXS patterns were recorded for q from 0.004 to 0.223 A(-1). Collagen d spacing varied across ovine leather sections from 63.8 nm in parts of the corium up to 64.6 nm in parts of the grain. The intensity of the collagen peak at q = 0.06 A(-1) varied by 1 order of magnitude across ovine leather sections with the high-intensity region in the corium and the low intensity in the grain. The degree of fiber orientation and the dispersion of the orientation has been quantified in leather. It is shown how the technique provides a wealth of useful information that may be used to characterize and compare leathers, skin, and connective tissue.

  8. Study on the structure of Fe sub 2 O sub 3 xerogels by small angle X-ray scattering

    CERN Document Server

    Liu Yi; Zhao Xin; Yang Tong Hua; Zhao Hui; Rong Li Xia; Zhang Jing; Wang Jun; Dong Bao Zhong

    2002-01-01

    Small angle X-ray scattering (SAXS) with synchrotron radiation as X-ray source is used to study the pore structure of Fe sub 2 O sub 3 xerogels prepared by sol-gel procedure and then heat-treated at different temperatures. By analysing the distribution of diameters of the pores, specific surfaces and fractal behaviors in samples, the characters and mechanisms of pores growing are discussed. The results show that the pores in Fe sub 2 O sub 3 xerogels are polydisperse and the structure of the pores is mass fractal. With increase in heat-treatment temperature, the average size of diameters of the pores and the dimension of fractal of Fe sub 2 O sub 3 xerogels are increased, whereas the scale range possessing fractal behavior become narrow

  9. The Chemically-Specific Structure of an Amorphous Molybdenum Germanium Alloy by Anomalous X-ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Ishii, H. A.

    2002-06-11

    Since its inception in the late 1970s, anomalous x-ray scattering (AXS) has been employed for chemically-specific structure determination in a wide variety of noncrystalline materials. These studies have successfully produced differential distribution functions (DDFs) which provide information about the compositionally-averaged environment of a specific atomic species in the sample. Despite the wide success in obtaining DDFs, there are very few examples of successful extraction of the fully-chemically-specific partial pair distribution functions (PPDFs), the most detailed description of an amorphous sample possible by x-ray scattering. Extracting the PPDFs is notoriously difficult since the matrix equation involved is ill-conditioned and thus extremely sensitive to errors present in the experimental quantities that enter the equation. Instead of addressing this sensitivity by modifying the data through mathematical methods, sources of error have been removed experimentally: A focusing analyzer crystal was combined with a position-sensitive linear detector to experimentally eliminate unwanted inelastic scattering intensity over most of the reciprocal space range probed. This instrumentation has been used in data collection for the extraction of PPDFs from amorphous (a)-MoGe{sub 3}. This composition arises as a phase separation endpoint in the Ge-rich region of the vapor-deposited Mo-Ge amorphous alloy system but is not present at equilibrium. Since the first Ge-rich compound in the Mo-Ge equilibrium system is MoGe{sub 2}, previous workers have speculated that perhaps a unique MoGe{sub 3} compound exists in the amorphous system. Rather than indicating a distinct MoGe{sub 3} compound with definitive local structure, however, the coordination results are more consistent with a densely-packed alloy having a wide range of solid solubility. Significant improvement in the quality and reliability of experimental PPDFs from a-MoGe{sub 3} by AXS has been achieved solely

  10. Gracing incidence small angle neutron scattering of incommensurate magnetic structures in MnSi thin films

    Energy Technology Data Exchange (ETDEWEB)

    Wiedemann, Birgit; Pfleiderer, Christian; Boeni, Peter [Physik Department, Technische Universitaet Muenchen (Germany); Zhang, Shilei; Hesjedal, Thorsten [Clarendon Laboratory, Department of Physics, University of Oxford (United Kingdom); Khaydukov, Yury; Soltwedel, Olaf; Keller, Thomas [Max-Planck-Institut fuer Festkoerperforschung (Germany); Max Planck Society, Outstation at FRM-II (Germany); Muehlbauer, Sebastian [Forschungsneutronenquelle Heinz Maier Leibnitz, Technische Universitaet Muenchen (Germany); Chacon, Alfonso [Physik Department, Technische Universitaet Muenchen (Germany); Forschungsneutronenquelle Heinz Maier Leibnitz, Technische Universitaet Muenchen (Germany)

    2015-07-01

    The topological stability of skyrmions in bulk samples of MnSi and the observation of spin transfer torque effects at ultra-low current densities have generated great interest in skyrmions in chiral magnets as a new route towards next generation spintronics devices. Yet, the formation of skyrmions in MBE grown thin films of MnSi reported in the literature is highly controversial. We report gracing incidence small angle neutron scattering (GISANS) of the magnetic order in selected thin films of MnSi grown by state of the art MBE techniques. In combination with polarised neutron reflectometry (PNR) and magnetisation measurements of the same samples our data provide direct reciprocal space information of the incommensurate magnetic order, clarifying the nature of magnetic phase diagram.

  11. Magnetic structure and interlayer exchange coupling in spring magnets-studied via nuclear resonant scattering

    Energy Technology Data Exchange (ETDEWEB)

    Klein, T. [Institut fuer Physik, Universitaet Rostock, August-Bebel-Str. 55, 18055 Rostock (Germany)]. E-mail: klein@physik1.uni-rostock.de; Roehlsberger, R. [Deutsches Elektronen Synchrotron DESY, Notkestrasse 85, 22607 Hamburg (Germany); Crisan, O. [Institut fuer Physik, Universitaet Rostock, August-Bebel-Str. 55, 18055 Rostock (Germany); National Institute for Materials Physics, PO Box MG-7, 77125 Bucharest (Romania); Schlage, K. [Institut fuer Physik, Universitaet Rostock, August-Bebel-Str. 55, 18055 Rostock (Germany); Burkel, E. [Institut fuer Physik, Universitaet Rostock, August-Bebel-Str. 55, 18055 Rostock (Germany)

    2006-12-05

    Magnetic properties of FePt/Ag/Fe and FePt/Pd/Fe layer systems, prepared by magnetron sputtering, were investigated using the nuclear resonant forward scattering of synchrotron radiation. This technique allows the accurate determination of magnetic hyperfine field orientations by using an extremely thin {sup 57}Fe probe layer suitably embedded within the soft magnetic layer. From an evaluation of these measurements within a one-dimensional micromagnetic model, the interlayer exchange coupling constants between the magnetically hard (FePt) and soft (Fe) layers were determined as function of the Ag and Pd interlayer thickness. The interlayer thickness dependence of the bilinear coupling constants provides evidence for the superposition of Ruderman-Kittel-Kasuya-Yoshida coupling and a magnetostatic interaction between the magnetic layers.

  12. Structure and dynamics of nanoemulsions: Insights from combining dynamic and static neutron scattering

    Science.gov (United States)

    Hoffmann, I.; Heunemann, P.; Farago, B.; Grillo, I.; Holderer, O.; Päch, M.; Gradzielski, M.

    2012-12-01

    Despite their lack of thermodynamical stability, nanoemulsions can show a remarkable degree of kinetic stability. Among the various different preparation methods the phase-inversion concentration method is particularly interesting as it occurs spontaneously. Here we investigate such a system composed of a surfactant, cosurfactant, and oil that upon dilution with water forms long time metastable oil-in-water nanoemulsion droplets. The dynamics of the amphiphilic monolayers and its elastic properties is important for their stability and therefore the monolayer dynamics have been investigated by neutron spin echo (NSE). Despite the difficulties arising from the inherently polydisperse nature and the large number of different components necessarily contained in commercial nanoemulsion formulations, information concerning the membrane rigidity was extracted from the combination of small angle neutron scattering and NSE and several different formulations are compared. These results show that small amounts of different admixed ionic surfactants can modify the monolayer rigidity substantially and similarly effects of surface bound polyelectrolytes have been evaluated.

  13. Determination of structural changes of dispersed clay platelets in a polymer blend during solid-state rheological property measurement by small-angle X-ray scattering

    CSIR Research Space (South Africa)

    Bandyopadhyay, J

    2011-05-01

    Full Text Available -1 Polymer Volume 52, Issue 12, 26 May 2011, Pages 2628?2642 Determination of structural changes of dispersed clay platelets in a polymer blend during solid-state rheological property measurement by small-angle X-ray scattering ? Jayita Bandyopadhyaya... frequency and temperature sweep tests. Graphical abstract Keywords ? Blend composites; ? Small-angle X-ray scattering; ? Solid-state rheology ...

  14. Turbulent structure and emissions of strongly-pulsed jet diffusion flames

    Science.gov (United States)

    Fregeau, Mathieu

    This current research project studied the turbulent flame structure, the fuel/air mixing, the combustion characteristics of a nonpremixed pulsed (unsteady) and unpulsed (steady) flame configuration for both normal- and microgravity conditions, as well as the flame emissions in normal gravity. The unsteady flames were fully-modulated, with the fuel flow completely shut off between injection pulses using an externally controlled valve, resulting in the generation of compact puff-like flame structures. Conducting experiments in normal and microgravity environments enabled separate control over the relevant Richardson and Reynolds numbers to clarify the influence of buoyancy on the flame behavior, mixing, and structure. Experiments were performed in normal gravity in the laboratory at the University of Washington and in microgravity using the NASA GRC 2.2-second Drop Tower facility. High-speed imaging, as well as temperature and emissions probes were used to determine the large-scale structure dynamics, the details of the flame structure and oxidizer entrainment, the combustion temperatures, and the exhaust emissions of the pulsed and steady flames. Of particular interest was the impact of changes in flame structure due to pulsing on the combustion characteristics of this system. The turbulent flame puff celerity (i.e., the bulk velocity of the puffs) was strongly impacted by the jet-off time, increasing markedly as the time between pulses was decreased, which caused the degree of puff interaction to increase and the strongly-pulsed flame to more closely resemble a steady flame. This increase occurred for all values of injection time as well as for constant fuelling rate and in both the presence and absence of buoyancy. The removal of positive buoyancy in microgravity resulted in a decrease in the flame puff celerity in all cases, amounting to as much as 40%, for both constant jet injection velocity and constant fuelling rate. The mean flame length of the strongly

  15. Adsorption and diffusion of plasma proteins on hydrophilic and hydrophobic surfaces: effect of trifluoroethanol on protein structure.

    Science.gov (United States)

    Vieira, Euridice P; Rocha, Sandra; Carmo Pereira, M; Möhwald, Helmuth; Coelho, Manuel A N

    2009-09-01

    The aim of this work was to investigate the conformational changes and diffusion of adsorbed proteins (immunoglobulin G (IgG), fibrinogen (Fib) and human serum albumin (HSA)) on hydrophilic quartz and hydrophobized quartz (octadecyltrichlorosilane (OTS)) surfaces. Circular dichroism spectroscopy measurements have shown that IgG is the most stable protein after adsorption on hydrophilic quartz, whereas HSA and Fib unfold. The structural changes are dependent on adsorption time, initial protein concentration in bulk, and surface chemistry. The effect of trifluoroethanol (TFE) in recovering the original protein structure after adsorption was analyzed by total internal reflection fluorescence and fluorescence recovery after photobleaching (TIRF-FRAP). TIRF-FRAP experiments revealed a strong dependence of the surface chemistry on protein diffusion coefficients: proteins diffuse 4 times slower on hydrophobic surfaces than on hydrophilic surfaces. The diffusion coefficient of TFE at hydrophobic surfaces is 2 orders magnitude higher than at hydrophilic surfaces. However, protein desorption occurs faster on hydrophilic quartz than on OTS, proving that the strength of protein-surface interaction is weaker at hydrophilic surfaces. This result shows that desorption is determined by surface/protein chemistry and not by mass transfer limitations. FTIR-ATR results demonstrated that TFE interaction with adsorbed proteins is stronger at hydrophilic surfaces than at hydrophobic surfaces.

  16. Characterizing the structure of diffuse emission in Hi-GAL maps

    Energy Technology Data Exchange (ETDEWEB)

    Elia, D.; Molinari, S.; Rygl, K. L. J.; Di Giorgio, A. M.; Pestalozzi, M.; Liu, S. J. [INAF-IAPS, Via Fosso del Cavaliere 100, I-00133 Roma (Italy); Strafella, F.; Maruccia, Y. [Dipartimento di Matematica e Fisica E. De Giorgi, Università del Salento, CP 193, I-73100 Lecce (Italy); Schneider, N. [Univ. Bordeaux, LAB, CNRS, UMR 5804, 33270, Floirac (France); Paladini, R. [Infrared Processing and Analysis Center, California Institute of Technology, Pasadena, CA 91125 (United States); Vavrek, R. [Herschel Science Centre, European Space Astronomy Centre, Villafranca del Castillo, Apartado de Correos 78, E-28080 Madrid (Spain); Noriega-Crespo, A.; Pezzuto, S.; Schisano, E. [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States); Traficante, A. [Jodrell Bank Centre for Astrophysics, School of Physics and Astronomy, University of Manchester, Manchester M13 9PL (United Kingdom); Calzoletti, L.; Natoli, P. [Agenzia Spaziale Italiana Science Data Center, c/o ESRIN, via Galileo Galilei, I-00044 Frascati (Italy); Huang, M. [National Astronomical Observatories, Chinese Academy of Sciences, Beijing 100012 (China); Martin, P. [Canadian Institute for Theoretical Astrophysics, University of Toronto, 60 St. George Street, Toronto, ON M5S 3H8 (Canada); Fukui, Y., E-mail: davide.elia@iaps.inaf.it [Department of Physics, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8602 (Japan); and others

    2014-06-10

    We present a study of the structure of the Galactic interstellar medium (ISM) through the Δ-variance technique, related to the power spectrum and the fractal properties of infrared/submillimeter maps. Through this method, it is possible to provide quantitative parameters, which are useful for characterizing different morphological and physical conditions, and better constraining the theoretical models. In this respect, the Herschel Infrared Galactic Plane Survey, carried out at five photometric bands from 70 to 500 μm, constitutes a unique database for applying statistical tools to a variety of regions across the Milky Way. In this paper, we derive a robust estimate of the power-law portion of the power spectrum of four contiguous 2° × 2° Hi-GAL tiles located in the third Galactic quadrant (217° ≲ ℓ ≲ 225°, –2° ≲ b ≲ 0°). The low level of confusion along the line of sight, testified by CO observations, makes this region an ideal case. We find very different values for the power spectrum slope from tile to tile but also from wavelength to wavelength (2 ≲ β ≲ 3), with similarities between fields attributable to components located at the same distance. Thanks to comparisons with models of turbulence, an explanation of the determined slopes in terms of the fractal geometry is also provided, and possible relations with the underlying physics are investigated. In particular, an anti-correlation between ISM fractal dimension and star formation efficiency is found for the two main distance components observed in these fields. A possible link between the fractal properties of the diffuse emission and the resulting clump mass function is discussed.

  17. Integration of Small Angle X-Ray Scattering Data Into Structural Modeling of Proteins And Their Assemblies

    Energy Technology Data Exchange (ETDEWEB)

    Forster, F.; Webb, B.; Krukenberg, K.A.; Tsuruta, H.; Agard, D.A.; Sali, A.

    2009-05-18

    A major challenge in structural biology is to determine the configuration of domains and proteins in multidomain proteins and assemblies, respectively. All available data should be considered to maximize the accuracy and precision of these models. Small-angle X-ray scattering (SAXS) efficiently provides low-resolution experimental data about the shapes of proteins and their assemblies. Thus, we integrated SAXS profiles into our software for modeling proteins and their assemblies by satisfaction of spatial restraints. Specifically, we modeled the quaternary structures of multidomain proteins with structurally defined rigid domains as well as quaternary structures of binary complexes of structurally defined rigid proteins. In addition to SAXS profiles and the component structures, we used stereochemical restraints and an atomic distance-dependent statistical potential. The scoring function is optimized by a biased Monte Carlo protocol, including quasi-Newton and simulated annealing schemes. The final prediction corresponds to the best scoring solution in the largest cluster of many independently calculated solutions. To quantify how well the quaternary structures are determined based on their SAXS profiles, we used a benchmark of 12 simulated examples as well as an experimental SAXS profile of the homotetramer D-xylose isomerase. Optimization of the SAXS-dependent scoring function generally results in accurate models if sufficiently precise approximations for the constituent rigid bodies are available; otherwise, the best scoring models can have significant errors. Thus, SAXS profiles can play a useful role in the structural characterization of proteins and assemblies if they are combined with additional data and used judiciously. Our integration of a SAXS profile into modeling by satisfaction of spatial restraints will facilitate further integration of different kinds of data for structure determination of proteins and their assemblies.

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

    Directory of Open Access Journals (Sweden)

    Alexandr Nasedkin

    Full Text Available The folding and unfolding of protein domains is an apparently cooperative process, but transient intermediates have been detected in some cases. Such (unfolding intermediates are challenging to investigate structurally as they are typically not long-lived and their role in the (unfolding reaction has often been questioned. One of the most well studied (unfolding 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 (unfolding pathway. However, they also suggest that the fully unfolded state is present at a low fraction throughout the investigated temperature interval, and that the (unfolding 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.

  19. Structural and Functional Brain Remodeling during Pregnancy with Diffusion Tensor MRI and Resting-State Functional MRI

    Science.gov (United States)

    Chan, Russell W.; Ho, Leon C.; Zhou, Iris Y.; Gao, Patrick P.; Chan, Kevin C.; Wu, Ed X.

    2015-01-01

    Although pregnancy-induced hormonal changes have been shown to alter the brain at the neuronal level, the exact effects of pregnancy on brain at the tissue level remain unclear. In this study, diffusion tensor imaging (DTI) and resting-state functional MRI (rsfMRI) were employed to investigate and document the effects of pregnancy on the structure and function of the brain tissues. Fifteen Sprague-Dawley female rats were longitudinally studied at three days before mating (baseline) and seventeen days after mating (G17). G17 is equivalent to the early stage of the third trimester in humans. Seven age-matched nulliparous female rats served as non-pregnant controls and were scanned at the same time-points. For DTI, diffusivity was found to generally increase in the whole brain during pregnancy, indicating structural changes at microscopic levels that facilitated water molecular movement. Regionally, mean diffusivity increased more pronouncedly in the dorsal hippocampus while fractional anisotropy in the dorsal dentate gyrus increased significantly during pregnancy. For rsfMRI, bilateral functional connectivity in the hippocampus increased significantly during pregnancy. Moreover, fractional anisotropy increase in the dentate gyrus appeared to correlate with the bilateral functional connectivity increase in the hippocampus. These findings revealed tissue structural modifications in the whole brain during pregnancy, and that the hippocampus was structurally and functionally remodeled in a more marked manner. PMID:26658306

  20. Structural and Functional Brain Remodeling during Pregnancy with Diffusion Tensor MRI and Resting-State Functional MRI.

    Directory of Open Access Journals (Sweden)

    Russell W Chan

    Full Text Available Although pregnancy-induced hormonal changes have been shown to alter the brain at the neuronal level, the exact effects of pregnancy on brain at the tissue level remain unclear. In this study, diffusion tensor imaging (DTI and resting-state functional MRI (rsfMRI were employed to investigate and document the effects of pregnancy on the structure and function of the brain tissues. Fifteen Sprague-Dawley female rats were longitudinally studied at three days before mating (baseline and seventeen days after mating (G17. G17 is equivalent to the early stage of the third trimester in humans. Seven age-matched nulliparous female rats served as non-pregnant controls and were scanned at the same time-points. For DTI, diffusivity was found to generally increase in the whole brain during pregnancy, indicating structural changes at microscopic levels that facilitated water molecular movement. Regionally, mean diffusivity increased more pronouncedly in the dorsal hippocampus while fractional anisotropy in the dorsal dentate gyrus increased significantly during pregnancy. For rsfMRI, bilateral functional connectivity in the hippocampus increased significantly during pregnancy. Moreover, fractional anisotropy increase in the dentate gyrus appeared to correlate with the bilateral functional connectivity increase in the hippocampus. These findings revealed tissue structural modifications in the whole brain during pregnancy, and that the hippocampus was structurally and functionally remodeled in a more marked manner.