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

Datta, Kaustuv; Neder, Reinhard B.; Chen, Jun

Revelation of unequivocal structural information at the atomic level for complex systems is uniquely important for deeper and generic understanding of the structure property connections and a key challenge in materials science. Here in this paper we report an experimental study of the local structure by applying total elastic scattering and Raman scattering analyses to an important non-relaxor ferroelectric solid solution exhibiting the so-called composition-induced morphotropic phase boundary (MPB), where concomitant enhancement of physical properties have been detected. The powerful combination of static and dynamic structural probes enabled us to derive direct correspondence between the atomic-level structural correlations and reportedmore » properties. The atomic pair distribution functions obtained from the neutron total scattering experiments were analysed through big-box atom-modelling implementing reverse Monte Carlo method, from which distributions of magnitudes and directions of off-centred cationic displacements were extracted. We found that an enhanced randomness of the displacement-directions for all ferroelectrically active cations combined with a strong dynamical coupling between the A- and B-site cations of the perovskite structure, can explain the abrupt amplification of piezoelectric response of the system near MPB. Finally, altogether this provides a more fundamental basis in inferring structure-property connections in similar systems including important implications in designing novel and bespoke materials.« less

The structure of liquid water by polarized neutron diffraction and reverse Monte Carlo modelling.

PubMed

Temleitner, László; Pusztai, László; Schweika, Werner

2007-08-22

The coherent static structure factor of water has been investigated by polarized neutron diffraction. Polarization analysis allows us to separate the huge incoherent scattering background from hydrogen and to obtain high quality data of the coherent scattering from four different mixtures of liquid H(2)O and D(2)O. The information obtained by the variation of the scattering contrast confines the configurational space of water and is used by the reverse Monte Carlo technique to model the total structure factors. Structural characteristics have been calculated directly from the resulting sets of particle coordinates. Consistency with existing partial pair correlation functions, derived without the application of polarized neutrons, was checked by incorporating them into our reverse Monte Carlo calculations. We also performed Monte Carlo simulations of a hard sphere system, which provides an accurate estimate of the information content of the measured data. It is shown that the present combination of polarized neutron scattering and reverse Monte Carlo structural modelling is a promising approach towards a detailed understanding of the microscopic structure of water.

Auger electron diffraction in thin CoO films on Au(1 1 1)

NASA Astrophysics Data System (ADS)

Chassé, A.; Niebergall, L.; Heiler, M.; Neddermeyer, H.; Schindler, K.-M.

The local structure of thin CoO films grown on a single crystal Au(1 1 1) surface has been studied by Auger electron diffraction (AED). Therefore, the angular dependence of the Auger electron intensity of Co-LMM and O-KLL Auger electrons was recorded in the total half-space above the film. Such 2 π-scans immediately reflect the symmetry of the surface and the local structure of the film. The experimental data are compared to multiple-scattering cluster calculations, where both the influence of multiple-scattering effects and effects of Auger transition matrix elements have been investigated. We have found that the AED patterns of a CoO film in forward-scattering conditions do not always provide straightforward information on the local structure of the film, whereas the multiple-scattering approximation applied gives very good agreement between experimental and theoretical results.

Observation of hard scattering in photoproduction events with a large rapidity gap at HERA

NASA Astrophysics Data System (ADS)

Derrick, M.; Krakauer, D.; Magill, S.; Musgrave, B.; Repond, J.; Schlereth, J.; Stanek, R.; Talaga, R. L.; Thron, J.; Arzarello, F.; Ayad, R.; Bari, G.; Basile, M.; Bellagamba, L.; Boscherini, D.; Bruni, A.; Bruni, G.; Bruni, P.; Cara Romeo, G.; Castellini, G.; Chiarini, M.; Cifarelli, L.; Cindolo, F.; Ciralli, F.; Contin, A.; D'Auria, S.; Frasconi, F.; Gialas, I.; Giusti, P.; Iacobucci, G.; Laurenti, G.; Levi, G.; Margotti, A.; Massam, T.; Nania, R.; Nemoz, C.; Palmonari, F.; Polini, A.; Sartorelli, G.; Timellini, R.; Zamora Garcia, Y.; Zichichi, A.; Bargende, A.; Crittenden, J.; Desch, K.; Diekmann, B.; Doeker, T.; Eckert, M.; Feld, L.; Frey, A.; Geerts, M.; Geitz, G.; Grothe, M.; Hartmann, H.; Haun, D.; Heinloth, K.; Hilger, E.; Jakob, H.-P.; Katz, U. F.; Mari, S. M.; Mass, A.; Mengel, S.; Mollen, J.; Paul, E.; Rembser, Ch.; Schattevoy, R.; Schramm, D.; Stamm, J.; Wedemeyer, R.; Campbell-Robson, S.; Cassidy, A.; Dyce, N.; Foster, B.; George, S.; Gilmore, R.; Heath, G. P.; Heath, H. F.; Llewellyn, T. J.; Morgado, C. J. S.; Norman, D. J. P.; O'Mara, J. A.; Tapper, R. J.; Wilson, S. S.; Yoshida, R.; Rau, R. R.; Arneodo, M.; Iannotti, L.; Schioppa, M.; Susinno, G.; Bernstein, A.; Caldwell, A.; Parsons, J. A.; Ritz, S.; Sciulli, F.; Straub, P. B.; Wai, L.; Yang, S.; Zhu, Q.; Borzemski, P.; Chwastowski, J.; Eskreys, A.; Piotrzkowski, K.; Zachara, M.; Zawiejski, L.; Adamczyk, L.; Bednarek, B.; Eskreys, K.; Jeleń, K.; Kisielewska, D.; Kowalski, T.; Rulikowska-Zarȩbska, E.; Suszycki, L.; Zajaç, J.; Kotański, A.; Przybycień, M.; Bauerdick, L. A. T.; Behrens, U.; Bienlein, J. K.; Böttcher, S.; Coldewey, C.; Drews, G.; Flasiński, M.; Gilkinson, D. J.; Göttlicher, P.; Gutjahr, B.; Haas, T.; Hain, W.; Hasell, D.; Heßling, H.; Hultschig, H.; Iga, Y.; Joos, P.; Kasemann, M.; Klanner, R.; Koch, W.; Köpke, L.; Kötz, U.; Kowalski, H.; Kröger, W.; Krüger, J.; Labs, J.; Ladage, A.; Löhr, B.; Löwe, M.; Lüke, D.; Mańczak, O.; Ng, J. S. T.; Nickel, S.; Notz, D.; Ohrenberg, K.; Roco, M.; Rohde, M.; Roldán, J.; Schneekloth, U.; Schulz, W.; Selonke, F.; Stiliaris, E.; Voß, T.; Westphal, D.; Wolf, G.; Youngman, C.; Grabosch, H. J.; Leich, A.; Meyer, A.; Rethfeldt, C.; Schlenstedt, S.; Barbagli, G.; Pelfer, P.; Anzivino, G.; Maccarrone, G.; De Pasquale, S.; Qian, S.; Votano, L.; Bamberger, A.; Freidhof, A.; Poser, T.; Söldner-Rembold, S.; Schroeder, J.; Theisen, G.; Trefzger, T.; Brook, N. H.; Bussey, P. J.; Doyle, A. T.; Fleck, I.; Jamieson, V. A.; Saxon, D. H.; Utley, M. L.; Wilson, A. S.; Dannemann, A.; Holm, U.; Horstmann, D.; Kammerlocher, H.; Krebs, B.; Neumann, T.; Sinkus, R.; Wick, K.; Badura, E.; Burow, B. D.; Fürtjes, A.; Hagge, L.; Lohrmann, E.; Mainusch, J.; Milewski, J.; Nakahata, M.; Pavel, N.; Poelz, G.; Schott, W.; Terron, J.; Zetsche, F.; Bacon, T. C.; Beuselinck, R.; Butterworth, I.; Gallo, E.; Harris, V. L.; Hung, B. H.; Long, K. R.; Miller, D. B.; Morawitz, P. P. O.; Prinias, A.; Sedgbeer, J. K.; Whitfield, A. F.; Mallik, U.; McCliment, E.; Wang, M. Z.; Wang, S. M.; Wu, J. T.; Zhang, Y.; Cloth, P.; Filges, D.; An, S. H.; Hong, S. M.; Nam, S. W.; Park, S. K.; Suh, M. H.; Yon, S. H.; Imlay, R.; Kartik, S.; Kim, H.-J.; McNeil, R. R.; Metcalf, W.; Nadendla, V. K.; Barreiro, F.; Cases, G.; Graciani, R.; Hernández, J. M.; Hervás, L.; Labarga, L.; del Peso, J.; Puga, J.; de Trocóniz, J. F.; Smith, G. R.; Corriveau, F.; Hanna, D. S.; Hartmann, J.; Hung, L. W.; Lim, J. N.; Matthews, C. G.; Patel, P. M.; Sinclair, L. E.; Stairs, D. G.; Laurent, M. St.; Ullmann, R.; Zacek, G.; Bashkirov, V.; Dolgoshein, B. A.; Stifutkin, A.; Bashindzhagyan, G. L.; Ermolov, P. F.; Gladilin, L. K.; Golubkov, Y. A.; Kobrin, V. D.; Kuzmin, V. A.; Proskuryakov, A. S.; Savin, A. A.; Shcheglova, L. M.; Solomin, A. N.; Zotov, N. P.; Bentvelsen, S.; Botje, M.; Chlebana, F.; Dake, A.; Engelen, J.; de Jong, P.; de Kamps, M.; Kooijman, P.; Kruse, A.; O'Dell, V.; Tenner, A.; Tiecke, H.; Verkerke, W.; Vreeswijk, M.; Wiggers, L.; de Wolf, E.; van Woudenberg, R.; Acosta, D.; Bylsma, B.; Durkin, L. S.; Honscheid, K.; Li, C.; Ling, T. Y.; McLean, K. W.; Murray, W. N.; Park, I. H.; Romanowski, T. A.; Seidlein, R.; Bailey, D. S.; Blair, G. A.; Byrne, A.; Cashmore, R. J.; Cooper-Sarkar, A. M.; Daniels, D.; Devenish, R. C. E.; Harnew, N.; Lancaster, M.; Luffman, P. E.; Lindemann, L.; McFall, J.; Nath, C.; Quadt, A.; Uijterwaal, H.; Walczak, R.; Wilson, F. F.; Yip, T.; Abbiendi, G.; Bertolin, A.; Brugnera, R.; Carlin, R.; Dal Corso, F.; De Giorgi, M.; Dosselli, U.; Limentani, S.; Morandin, M.; Posocco, M.; Stanco, L.; Stroili, R.; Voci, C.; Bulmahn, J.; Butterworth, J. M.; Feild, R. G.; Oh, B. Y.; Whitmore, J. J.; D'Agostini, G.; Iori, M.; Marini, G.; Mattioli, M.; Nigro, A.; Tassi, E.; Hart, J. C.; McCubbin, N. A.; Prytz, K.; Shah, T. P.; Short, T. L.; Barberis, E.; Cartiglia, N.; Dubbs, T.; Heusch, C.; Van Hook, M.; Hubbard, B.; Lockman, W.; Rahn, J. T.; Sadrozinski, H. F.-W.; Seiden, A.; Biltzinger, J.; Seifert, R. J.; Walenta, A. H.; Zech, G.; Abramowicz, H.; Briskin, G.; Dagan, S.; Levy, A.; Hasegawa, T.; Hazumi, M.; Ishii, T.; Kuze, M.; Mine, S.; Nagasawa, Y.; Nagira, T.; Nakao, M.; Suzuki, I.; Tokushuku, K.; Yamada, S.; Yamazaki, Y.; Chiba, M.; Hamatsu, R.; Hirose, T.; Homma, K.; Kitamura, S.; Nagayama, S.; Nakamitsu, Y.; Cirio, R.; Costa, M.; Ferrero, M. I.; Lamberti, L.; Maselli, S.; Peroni, C.; Sacchi, R.; Solano, A.; Staiano, A.; Dardo, M.; Bailey, D. C.; Bandyopadhyay, D.; Benard, F.; Brkic, M.; Crombie, M. B.; Gingrich, D. M.; Hartner, G. F.; Joo, K. K.; Levman, G. M.; Martin, J. F.; Orr, R. S.; Sampson, C. R.; Teuscher, R. J.; Catterall, C. D.; Jones, T. W.; Kaziewicz, P. B.; Lane, J. B.; Saunders, R. L.; Shulman, J.; Blankenship, K.; Kochocki, J.; Lu, B.; Mo, L. W.; Bogusz, W.; Charchuła, K.; Ciborowski, J.; Gajewski, J.; Grzelak, G.; Kasprzak, M.; Krzyżanowski, M.; Muchorowski, K.; Nowak, R. J.; Pawlak, J. M.; Tymieniecka, T.; Wróblewski, A. K.; Zakrzewski, J. A.; Żarnecki, A. F.; Adamus, M.; Eisenberg, Y.; Glasman, C.; Karshon, U.; Revel, D.; Shapira, A.; Ali, I.; Behrens, B.; Dasu, S.; Fordham, C.; Foudas, C.; Goussiou, A.; Loveless, R. J.; Reeder, D. D.; Silverstein, S.; Smith, W. H.; Tsurugai, T.; Bhadra, S.; Frisken, W. R.; Furutani, K. M.; ZEUS Collaboration

1995-02-01

Events with a large rapidity gap and total transverse energy greater than 5 GeV have been observed in quasi-real photoproduction at HERA with the ZEUS detector. The distribution of these events as a function of the γp centre of mass energy is consistent with diffractive scattering. For total transverse energies above 12 GeV, the hadronic final states show predominantly a two-jet structure with each jet having a transverse energy greater than 4 GeV. For the two-jet events, little energy flow is found outside the jets. This observation is consistent with the hard scattering of a quasi-real photon with a colourless object in the proton.

Direct observation of forward-scattering oscillations in the H+HD→H2+D reaction

NASA Astrophysics Data System (ADS)

Yuan, Daofu; Yu, Shengrui; Chen, Wentao; Sang, Jiwei; Luo, Chang; Wang, Tao; Xu, Xin; Casavecchia, Piergiorgio; Wang, Xingan; Sun, Zhigang; Zhang, Dong H.; Yang, Xueming

2018-06-01

Accurate measurements of product state-resolved angular distributions are central to fundamental studies of chemical reaction dynamics. Yet, fine quantum-mechanical structures in product angular distributions of a reactive scattering process, such as the fast oscillations in the forward-scattering direction, have never been observed experimentally and the nature of these oscillations has not been fully explored. Here we report the crossed-molecular-beam experimental observation of these fast forward-scattering oscillations in the product angular distribution of the benchmark chemical reaction, H + HD → H2 + D. Clear oscillatory structures are observed for the H2(v' = 0, j' = 1, 3) product states at a collision energy of 1.35 eV, in excellent agreement with the quantum-mechanical dynamics calculations. Our analysis reveals that the oscillatory forward-scattering components are mainly contributed by the total angular momentum J around 28. The partial waves and impact parameters responsible for the forward scatterings are also determined from these observed oscillations, providing crucial dynamics information on the transient reaction process.

Atomic Structure of Au 329(SR) 84 Faradaurate Plasmonic Nanomolecules

DOE PAGES

Kumara, Chanaka; Zuo, Xiaobing; Ilavsky, Jan; ...

2015-04-03

To design novel nanomaterials, it is important to precisely control the composition, determine the atomic structure, and manipulate the structure to tune the materials property. Here we present a comprehensive characterization of the material whose composition is Au 329(SR) 84 precisely, therefore referred to as a nanomolecule. The size homogeneity was shown by electron microscopy, solution X-ray scattering, and mass spectrometry. We proposed its atomic structure to contain the Au 260 core using experiments and modeling of a total-scattering-based atomic-pair distribution functional analysis. HAADF-STEM images shows fcc-like 2.0 ± 0.1 nm diameter nanomolecules.

Light scattering properties of new materials for glazing applications

NASA Astrophysics Data System (ADS)

Bergkvist, Mikael; Roos, Arne

1991-12-01

Several new materials are available for glazing applications, many of which require careful optical characterization, especially with regards to light scattering. Measuring scattering requires special equipment and is inherently difficult. An integrating sphere can be used for the total and diffuse components but great care must be taken in interpreting the instrument readings. Angular resolved scattering measurements are necessary for a complete characterization, and this is difficult for low levels of scattering. In this paper, measurements on electrically switchable NCAP materials and thick panes of aerogel are reported. The NCAP films switch reversibly from a translucent, scattering state to a transparent, clear state with the application of an ac-voltage. Airglass has a porous SiO2 structure with a refractive index n equals 1.04 and a very low heat transfer coefficient. Integrated scattering measurements were performed in the wavelength range 300 to 2500 nm on a Beckman 5240 spectrophotometer equipped with a 198851 integrating sphere. In this instrument we can measure the total and diffuse components of the reflectance or transmittance separately. The angular distribution of the scattered light was measured in a scatterometer, which can perform scattering measurements in the wavelength range 400-1100 nm in both transmittance and reflectance mode with variable angle of incidence.

Raman scattering and attenuated-total-reflection studies of surface-plasmon polaritons

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

Kurosawa, K.; Pierce, R.M.; Ushioda, S.

1986-01-15

We have made in situ measurements of attenuated total reflection (ATR) and Raman scattering from a layered structure consisting of a glass prism, a thin silver film, an MgF2 spacer, and a liquid mixture whose refractive index is matched to that of MgF2. When the incident angle of the laser beam coincides with the ATR angle, the surface-plasmon polariton (SPP) of the silver film is excited resonantly and the Raman scattering intensity of the liquid shows a maximum. The same effect is observed at the frequency of the Stokes scattered light. By measuring the decrease of the Raman scattering intensitymore » of the liquid with increase of the thickness of the MgF2 spacer layer, we have determined the decay length (l/sub d/) of the SPP field into the liquid. The measured value of l/sub d/ = 1539 A agrees with the calculated value, 1534 A.« less

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

NASA Astrophysics Data System (ADS)

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

2017-11-01

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

Atomic-level structural correlations across the morphotropic phase boundary of a ferroelectric solid solution: xBiMg 1/2Ti 1/2O 3-(1$-$x)PbTiO 3

DOE PAGES

Datta, Kaustuv; Neder, Reinhard B.; Chen, Jun; ...

2017-03-28

Revelation of unequivocal structural information at the atomic level for complex systems is uniquely important for deeper and generic understanding of the structure property connections and a key challenge in materials science. Here in this paper we report an experimental study of the local structure by applying total elastic scattering and Raman scattering analyses to an important non-relaxor ferroelectric solid solution exhibiting the so-called composition-induced morphotropic phase boundary (MPB), where concomitant enhancement of physical properties have been detected. The powerful combination of static and dynamic structural probes enabled us to derive direct correspondence between the atomic-level structural correlations and reportedmore » properties. The atomic pair distribution functions obtained from the neutron total scattering experiments were analysed through big-box atom-modelling implementing reverse Monte Carlo method, from which distributions of magnitudes and directions of off-centred cationic displacements were extracted. We found that an enhanced randomness of the displacement-directions for all ferroelectrically active cations combined with a strong dynamical coupling between the A- and B-site cations of the perovskite structure, can explain the abrupt amplification of piezoelectric response of the system near MPB. Finally, altogether this provides a more fundamental basis in inferring structure-property connections in similar systems including important implications in designing novel and bespoke materials.« less

Total Scattering and Pair Distribution Function Analysis in Modelling Disorder in PZN

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

Whitfield, Ross E.; Goossens, Darren J; Welberry, T. R.

2016-01-01

The ability of the pair distribution function (PDF) analysis of total scattering (TS) from a powder to determine the local ordering in ferroelectric PZN (PbZn 1/3Nb 2/3O 3) has been explored by comparison with a model established using single-crystal diffuse scattering (SCDS). While X-ray PDF analysis is discussed, the focus is on neutron diffraction results because of the greater extent of the data and the sensitivity of the neutron to oxygen atoms, the behaviour of which is important in PZN. The PDF was shown to be sensitive to many effects not apparent in the average crystal structure, including variations inmore » the B-site—O separation distances and the fact that (110) Pb 2+ displacements are most likely. A qualitative comparison between SCDS and the PDF shows that some features apparent in SCDS were not apparent in the PDF. These tended to pertain to short-range correlations in the structure, rather than to interatomic separations. For example, in SCDS the short-range alternation of the B-site cations was quite apparent in diffuse scattering at (½ ½ ½), whereas it was not apparent in the PDF.« less

Gaps in Protoplanetary Disks as Signatures of Planets. III. Polarization

NASA Astrophysics Data System (ADS)

Jang-Condell, Hannah

2017-01-01

Polarimetric observations of T Tauri and Herbig Ae/Be stars are a powerful way to image protoplanetary disks. However, interpretation of these images is difficult because the degree of polarization is highly sensitive to the angle of scattering of stellar light off the disk surface. We examine how disks with and without gaps created by planets appear in scattered polarized light as a function of inclination angle. Isophotes of inclined disks without gaps are distorted in polarized light, giving the appearance that the disks are more eccentric or more highly inclined than they truly are. Apparent gap locations are unaffected by polarization, but the gap contrast changes. In face-on disks with gaps, we find that the brightened far edge of the gap scatters less polarized light than the rest of the disk, resulting in slightly decreased contrast between the gap trough and the brightened far edge. In inclined disks, gaps can take on the appearance of being localized “holes” in brightness rather than full axisymmetric structures. Photocenter offsets along the minor axis of the disk in both total intensity and polarized intensity images can be readily explained by the finite thickness of the disk. Alone, polarized scattered light images of disks do not necessarily reveal intrinsic disk structure. However, when combined with total intensity images, the orientation of the disk can be deduced and much can be learned about disk structure and dust properties.

Resonant scattering from a two-dimensional honeycomb PT dipole structure

NASA Astrophysics Data System (ADS)

Markoš, P.; Kuzmiak, V.

2018-05-01

We studied numerically the electromagnetic response of the finite periodic structure consisting of the PT dipoles represented by two infinitely long, parallel cylinders with the opposite sign of the imaginary part of a refractive index, which are centered at the positions of a two-dimensional honeycomb lattice. We observed that the total scattered energy reveals a series of sharp resonances at which the energy increases by two orders of magnitude and an incident wave is scattered only in a few directions given by spatial symmetry of the periodic structure. We explain this behavior by analysis of the complex frequency spectra associated with an infinite honeycomb array of the PT dipoles and identify the lowest resonance with the broken PT -symmetry mode formed by a doubly degenerate pair with complex conjugate eigenfrequencies corresponding to the K point of the reciprocal lattice.

Structural evolution across the insulator-metal transition in oxygen-deficient BaTiO 3-δ studied using neutron total scattering and Rietveld analysis

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

Jeong, I.-K.; Lee, Seunghun; Jeong, Se-Young

2011-08-29

Oxygen-deficient BaTiO 3-δ exhibits an insulator-metal transition with increasing δ. We performed neutron total scattering measurements to study structural evolution across an insulator-metal transition in BaTiO 3-δ. Despite its significant impact on resistivity, slight oxygen reduction (δ=0.09) caused only a small disturbance on the local doublet splitting of Ti-O bond. This finding implies that local polarization is well preserved under marginal electric conduction. In the highly oxygen-deficient metallic state (δ=0.25), however, doublet splitting of the Ti-O bond became smeared. The smearing of the local Ti-O doublet is complemented with long-range structural analysis and demonstrates that the metallic conduction in themore » highly oxygen-reduced BaTiO 3-δ is due to the appearance of nonferroelectric cubic lattice.« less

Direct observation of forward-scattering oscillations in the H+HD→H2+D reaction.

PubMed

Yuan, Daofu; Yu, Shengrui; Chen, Wentao; Sang, Jiwei; Luo, Chang; Wang, Tao; Xu, Xin; Casavecchia, Piergiorgio; Wang, Xingan; Sun, Zhigang; Zhang, Dong H; Yang, Xueming

2018-06-01

Accurate measurements of product state-resolved angular distributions are central to fundamental studies of chemical reaction dynamics. Yet, fine quantum-mechanical structures in product angular distributions of a reactive scattering process, such as the fast oscillations in the forward-scattering direction, have never been observed experimentally and the nature of these oscillations has not been fully explored. Here we report the crossed-molecular-beam experimental observation of these fast forward-scattering oscillations in the product angular distribution of the benchmark chemical reaction, H + HD → H 2  + D. Clear oscillatory structures are observed for the H 2 (v' = 0, j' = 1, 3) product states at a collision energy of 1.35 eV, in excellent agreement with the quantum-mechanical dynamics calculations. Our analysis reveals that the oscillatory forward-scattering components are mainly contributed by the total angular momentum J around 28. The partial waves and impact parameters responsible for the forward scatterings are also determined from these observed oscillations, providing crucial dynamics information on the transient reaction process.

Anomalous Rayleigh scattering with dilute concentrations of elements of biological importance

NASA Astrophysics Data System (ADS)

Hugtenburg, Richard P.; Bradley, David A.

2004-01-01

The anomalous scattering factor (ASF) correction to the relativistic form-factor approximation for Rayleigh scattering is examined in support of its utilization in radiographic imaging. ASF corrected total cross-section data have been generated for a low resolution grid for the Monte Carlo code EGS4 for the biologically important elements, K, Ca, Mn, Fe, Cu and Zn. Points in the fixed energy grid used by EGS4 as well as 8 other points in the vicinity of the K-edge have been chosen to achieve an uncertainty in the ASF component of 20% according to the Thomas-Reiche-Kuhn sum rule and an energy resolution of 20 eV. Such data is useful for analysis of imaging with a quasi-monoenergetic source. Corrections to the sampled distribution of outgoing photons, due to ASF, are given and new total cross-section data including that of the photoelectric effect have been computed using the Slater exchange self-consistent potential with the Latter tail. A measurement of Rayleigh scattering in a dilute aqueous solution of manganese (II) was performed, this system enabling determination of the absolute cross-section, although background subtraction was necessary to remove K β fluorescence and resonant Raman scattering occurring within several 100 eV of the edge. Measurements confirm the presence of below edge bound-bound structure and variation in the structure due to the ionic state that are not currently included in tabulations.

Demonstration of thin film pair distribution function analysis (tfPDF) for the study of local structure in amorphous and crystalline thin films

DOE PAGES

Jensen, K. M.Ø.; Blichfeld, A. B.; Bauers, S. R.; ...

2015-07-05

By means of normal incidence, high flux and high energy x-rays, we have obtained total scattering data for Pair Distribution Function (PDF) analysis from thin films (tf), suitable for local structure analysis. By using amorphous substrates as support for the films, the standard Rapid Acquisition PDF setup can be applied and the scattering signal from the film can be isolated from the total scattering data through subtraction of an independently measured background signal. No angular corrections to the data are needed, as would be the case for grazing incidence measurements. We illustrate the ‘tfPDF’ method through studies of as depositedmore » (i.e. amorphous) and crystalline FeSb 3 films, where the local structure analysis gives insight into the stabilization of the metastable skutterudite FeSb 3 phase. The films were prepared by depositing ultra-thin alternating layers of Fe and Sb, which interdiffuse and after annealing crystallize to form the FeSb 3 structure. The tfPDF data show that the amorphous precursor phase consists of corner-sharing FeSb 6 octahedra with motifs highly resembling the local structure in crystalline FeSb 3. Analysis of the amorphous structure allows predicting whether the final crystalline product will form the FeSb 3 phase with or without excess Sb present. The study thus illustrates how analysis of the local structure in amorphous precursor films can help to understand crystallization processes of metastable phases and opens for a range of new local structure studies of thin films.« less

Demonstration of thin film pair distribution function analysis (tfPDF) for the study of local structure in amorphous and crystalline thin films

PubMed Central

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

2015-01-01

By means of normal-incidence, high-flux and high-energy X-rays, total scattering data for pair distribution function (PDF) analysis have been obtained from thin films (tf), suitable for local structure analysis. By using amorphous substrates as support for the films, the standard Rapid Acquisition PDF setup can be applied and the scattering signal from the film can be isolated from the total scattering data through subtraction of an independently measured background signal. No angular corrections to the data are needed, as would be the case for grazing incidence measurements. The ‘tfPDF’ method is illustrated through studies of as-deposited (i.e. amorphous) and crystalline FeSb3 films, where the local structure analysis gives insight into the stabilization of the metastable skutterudite FeSb3 phase. The films were prepared by depositing ultra-thin alternating layers of Fe and Sb, which interdiffuse and after annealing crystallize to form the FeSb3 structure. The tfPDF data show that the amorphous precursor phase consists of corner-sharing FeSb6 octahedra with motifs highly resembling the local structure in crystalline FeSb3. Analysis of the amorphous structure allows the prediction of whether the final crystalline product will form the FeSb3 phase with or without excess Sb present. The study thus illustrates how analysis of the local structure in amorphous precursor films can help to understand crystallization processes of metastable phases and opens for a range of new local structure studies of thin films. PMID:26306190

Total scattering and pair distribution function analysis in modelling disorder in PZN (PbZn1/3Nb2/3O3)

PubMed Central

Whitfield, Ross E.; Goossens, Darren J.; Welberry, T. Richard

2016-01-01

The ability of the pair distribution function (PDF) analysis of total scattering (TS) from a powder to determine the local ordering in ferroelectric PZN (PbZn1/3Nb2/3O3) has been explored by comparison with a model established using single-crystal diffuse scattering (SCDS). While X-ray PDF analysis is discussed, the focus is on neutron diffraction results because of the greater extent of the data and the sensitivity of the neutron to oxygen atoms, the behaviour of which is important in PZN. The PDF was shown to be sensitive to many effects not apparent in the average crystal structure, including variations in the B-site—O separation distances and the fact that 〈110〉 Pb2+ displacements are most likely. A qualitative comparison between SCDS and the PDF shows that some features apparent in SCDS were not apparent in the PDF. These tended to pertain to short-range correlations in the structure, rather than to interatomic separations. For example, in SCDS the short-range alternation of the B-site cations was quite apparent in diffuse scattering at (½ ½ ½), whereas it was not apparent in the PDF. PMID:26870378

Electromagnetic ray tracing model for line structures.

PubMed

Tan, C B; Khoh, A; Yeo, S H

2008-03-17

In this paper, a model for electromagnetic scattering of line structures is established based on high frequency approximation approach - ray tracing. This electromagnetic ray tracing (ERT) model gives the advantage of identifying each physical field that contributes to the total solution of the scattering phenomenon. Besides the geometrical optics field, different diffracted fields associated with the line structures are also discussed and formulated. A step by step addition of each electromagnetic field is given to elucidate the causes of a disturbance in the amplitude profile. The accuracy of the ERT model is also discussed by comparing with the reference finite difference time domain (FDTD) solution, which shows a promising result for a single polysilicon line structure with width of as narrow as 0.4 wavelength.

GAPS IN PROTOPLANETARY DISKS AS SIGNATURES OF PLANETS. III. POLARIZATION

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

Jang-Condell, Hannah

2017-01-20

Polarimetric observations of T Tauri and Herbig Ae/Be stars are a powerful way to image protoplanetary disks. However, interpretation of these images is difficult because the degree of polarization is highly sensitive to the angle of scattering of stellar light off the disk surface. We examine how disks with and without gaps created by planets appear in scattered polarized light as a function of inclination angle. Isophotes of inclined disks without gaps are distorted in polarized light, giving the appearance that the disks are more eccentric or more highly inclined than they truly are. Apparent gap locations are unaffected bymore » polarization, but the gap contrast changes. In face-on disks with gaps, we find that the brightened far edge of the gap scatters less polarized light than the rest of the disk, resulting in slightly decreased contrast between the gap trough and the brightened far edge. In inclined disks, gaps can take on the appearance of being localized “holes” in brightness rather than full axisymmetric structures. Photocenter offsets along the minor axis of the disk in both total intensity and polarized intensity images can be readily explained by the finite thickness of the disk. Alone, polarized scattered light images of disks do not necessarily reveal intrinsic disk structure. However, when combined with total intensity images, the orientation of the disk can be deduced and much can be learned about disk structure and dust properties.« less

Ab initio simulations of the dynamic ion structure factor of warm dense lithium

DOE PAGES

Witte, B. B. L.; Shihab, M.; Glenzer, S. H.; ...

2017-04-06

Here, we present molecular dynamics simulations based on finite-temperature density functional theory that determine self-consistently the dynamic ion structure factor and the electronic form factor in lithium. Our comprehensive data set allows for the calculation of the dispersion relation for collective excitations, the calculation of the sound velocity, and the determination of the ion feature from the total electronic form factor and the ion structure factor. The results are compared with available experimental x-ray and neutron scattering data. Good agreement is found for both the liquid metal and warm dense matter domain. Finally, we study the impact of possible targetmore » inhomogeneities on x-ray scattering spectra.« less

Ab initio simulations of the dynamic ion structure factor of warm dense lithium

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

Witte, B. B. L.; Shihab, M.; Glenzer, S. H.

Here, we present molecular dynamics simulations based on finite-temperature density functional theory that determine self-consistently the dynamic ion structure factor and the electronic form factor in lithium. Our comprehensive data set allows for the calculation of the dispersion relation for collective excitations, the calculation of the sound velocity, and the determination of the ion feature from the total electronic form factor and the ion structure factor. The results are compared with available experimental x-ray and neutron scattering data. Good agreement is found for both the liquid metal and warm dense matter domain. Finally, we study the impact of possible targetmore » inhomogeneities on x-ray scattering spectra.« less

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

Xu, Siyao; Zhang, Bing, E-mail: syxu@pku.edu.cn, E-mail: zhang@physics.unlv.edu

Fast radio bursts (FRBs) have been identified as extragalactic sources that can probe turbulence in the intergalactic medium (IGM) and their host galaxies. To account for the observed millisecond pulses caused by scatter broadening, we examine a variety of possible electron density fluctuation models in both the IGM and the host galaxy medium. We find that a short-wave-dominated power-law spectrum of density, which may arise in highly supersonic turbulence with pronounced local dense structures of shock-compressed gas in the host interstellar medium (ISM), can produce the required density enhancements at sufficiently small scales to interpret the scattering timescale of FRBs.more » This implies that an FRB residing in a galaxy with efficient star formation in action tends to have a broadened pulse. The scaling of the scattering time with the dispersion measure (DM) in the host galaxy varies in different turbulence and scattering regimes. The host galaxy can be the major origin of scatter broadening, but contributes to a small fraction of the total DM. We also find that the sheet-like structure of the density in the host ISM associated with folded magnetic fields in a viscosity-dominated regime of magnetohydrodynamic (MHD) turbulence cannot give rise to strong scattering. Furthermore, valuable insights into the IGM turbulence concerning the detailed spatial structure of density and magnetic field can be gained from the observed scattering timescale of FRBs. Our results favor the suppression of micro-plasma instabilities and the validity of the collisional-MHD description of turbulence properties in the collisionless IGM.« less

Invisibility and Cloaking: Origins, Present, and Future Perspectives

NASA Astrophysics Data System (ADS)

Fleury, Romain; Monticone, Francesco; Alù, Andrea

2015-09-01

The development of metamaterials, i.e., artificially structured materials that interact with waves in unconventional ways, has revolutionized our ability to manipulate the propagation of electromagnetic waves and their interaction with matter. One of the most exciting applications of metamaterial science is related to the possibility of totally suppressing the scattering of an object using an invisibility cloak. Here, we review the available methods to make an object undetectable to electromagnetic waves, and we highlight the outstanding challenges that need to be addressed in order to obtain a fully functional coating capable of suppressing the total scattering of an object. Our outlook discusses how, while passive linear cloaks are fundamentally limited in terms of bandwidth of operation and overall scattering suppression, active and/or nonlinear cloaks hold the promise to overcome, at least partially, some of these limitations.

Experimental demonstration of invisible electromagnetic impedance matching cylindrical transformation optics cloak shell

NASA Astrophysics Data System (ADS)

Chen, Mingji; Wang, Changxian; Cheng, Xiaodong; Gong, Congcheng; Song, Weili; Yuan, Xujin; Fang, Daining

2018-04-01

The realization of an ideal invisible cloak implementing transformation optics is still missing. An impedance matching concept is implanted into transformation optics cloak to generate an impedance matching cloak (IMC) shell. In this work, it is proved that impedance matching structure reduces the cloaking structure’s disturbance to a propagating electromagnetic field and improves its invisibility measured by scattering field intensity. Such a cylindrical IMC shell is designed, fabricated with proposed rounded rectangular split-ring-resonators (RR-SRRs), and experimental measurements show the total scattering field of a perfect electric conductor (PEC) cylinder surrounded by an IMC shell is improved greatly compared to the PEC cylinder showing electromagnetic wave front ripple suppression and a considerable scattering shrinking effect. IMC shell backward scattering field is suppressed down to 7.29%, compared to the previous value of 86.7% due to its impedance matching character, and overall scattering field intensity shrinking is down to 19.3% compared to the previously realized value of 56.4%. Sideward scattering field recorded in the experiment also has a remarkable improvement compared to the PEC cylinder. The impedance matching concept might enlighten the realization of an ideal cloak and other novel electromagnetic cloaking and shielding structures.

In situ Low-temperature Pair Distribution Function (PDF) Analysis of CH4 and CO2 Hydrates

NASA Astrophysics Data System (ADS)

Cladek, B.; Everett, M.; McDonnell, M.; Tucker, M.; Keffer, D.; Rawn, C.

2017-12-01

Gas hydrates occur in ocean floor and sub-surface permafrost deposits and are stable at moderate to high pressures and low temperatures. They are a clathrate structure composed of hydrogen bonded water cages that accommodate a wide variety of guest molecules. CO2 and CH4 hydrates both crystallize as the cubic sI hydrate and can form a solid solution. Natural gas hydrates are interesting as a potential methane source and for CO2 sequestration. Long-range diffraction studies on gas hydrates give valuable structural information but do not provide a detailed understanding of the disordered gas molecule interactions with the host lattice. In-situ low temperature total scattering experiments combined with pair distribution function (PDF) analysis are used to investigate the gas molecule motions and guest-cage interactions. CO2 and methane hydrates exhibit different decomposition behavior, and CO2 hydrate has a smaller lattice parameter despite it being a relatively larger molecule. Total scattering studies characterizing both the short- and long-range order simultaneously help to elucidate the structural source of these phenomena. Low temperature neutron total scattering data were collected using the Nanoscale Ordered MAterials Diffractometer (NOMAD) beamline at the Spallation Neutron Source (SNS) on CO2 and CH4 hydrates synthesized with D2O. Guest molecule motion within cages and interactions between gases and cages are investigated through the hydrate stability and decomposition regions. Data were collected from 2-80 K at a pressure of 55 mbar on CO2 and CH4 hydrates, and from 80-270 K at 25 bar on CH4 hydrate. The hydrate systems were modeled with classical molecular dynamic (MD) simulations to provide an analysis of the total energy into guest-guest, guest-host and host-host contributions. Combined Reitveld and Reverse Monte Carlo (RMC) structure refinement were used to fit models of the data. This combined modeling and simulation characterizes the effects of CO2 and CH4 as guest molecules on the structure and decomposition of gas hydrates. Structure and thermodynamic studies will provide a more comprehensive understanding of CO2-CH4 solid solutions, exchange kinetics, and implications on hydrate structure.

Exploring the Effects of Cloud Vertical Structure on Cloud Microphysical Retrievals based on Polarized Reflectances

NASA Astrophysics Data System (ADS)

Miller, D. J.; Zhang, Z.; Platnick, S. E.; Ackerman, A. S.; Cornet, C.; Baum, B. A.

2013-12-01

A polarized cloud reflectance simulator was developed by coupling an LES cloud model with a polarized radiative transfer model to assess the capabilities of polarimetric cloud retrievals. With future remote sensing campaigns like NASA's Aerosols/Clouds/Ecosystems (ACE) planning to feature advanced polarimetric instruments it is important for the cloud remote sensing community to understand the retrievable information available and the related systematic/methodical limitations. The cloud retrieval simulator we have developed allows us to probe these important questions in a realistically relevant test bed. Our simulator utilizes a polarized adding-doubling radiative transfer model and an LES cloud field from a DHARMA simulation (Ackerman et al. 2004) with cloud properties based on the stratocumulus clouds observed during the DYCOMS-II field campaign. In this study we will focus on how the vertical structure of cloud microphysics can influence polarized cloud effective radius retrievals. Numerous previous studies have explored how retrievals based on total reflectance are affected by cloud vertical structure (Platnick 2000, Chang and Li 2002) but no such studies about the effects of vertical structure on polarized retrievals exist. Unlike the total cloud reflectance, which is predominantly multiply scattered light, the polarized reflectance is primarily the result of singly scattered photons. Thus the polarized reflectance is sensitive to only the uppermost region of the cloud (tau~<1) where photons can scatter once and still escape before being scattered again. This means that retrievals based on polarized reflectance have the potential to reveal behaviors specific to the cloud top. For example cloud top entrainment of dry air, a major influencer on the microphysical development of cloud droplets, can be potentially studied with polarimetric retrievals.

Elastic and Diffractive Scattering - Proceedings of the International Conference on Vth Blois Workshop

NASA Astrophysics Data System (ADS)

Kang, K.; Fried, H. M.; Tan, C.-I.

1994-02-01

The Table of Contents for the book is as follows: * Preface * `Overview' on Elastic Scattering and Total Cross-Sections * A Precise Measurement of the Real Part of the Elastic Scattering Amplitude at the {S bar{p}pS} * Luminosity Dependent Measurement of the p bar{p} Total Cross Section at √{s} = 541 GeV * Status of Fermilab E-710 * Luminosity-Independent Measurement of bar{p}p Elastic Scattering, Single Diffraction, Dissociation and Total Cross Section at √{s} = 546 and 1800 GeV * Phase Relations Revisited: A Challenge for SSC and LHC * Status of Near-Forward Elastic Scattering * bar{p}p Collisions at √{s} = 1.8 TeV: p, σt and B * p bar{p} Forward Scattering Parameters Results from Fermilab E760 * Photoproduction Results from H1 at HERA * Total and Jet Photoproduction Cross Sections at HERA and Fermilab * Minijet Model for High Energy γp Cross Sections * The Pomeron as Massive Gluons * Large N Theories with Glueball-like Spectra * Unitarity Relations for Gluonic Pomeron * The Donnachie-Landshoff Pomeron vs. QCD * The Odderon Intercept in Perturbative QCD * Theoret. and Phenomenol. Aspects of the Odderon * First Theorist's Gaze at HERA Data at Low xB * H1 Results for Structure Functions at Small x * Partial Photoproduction Cross Sections at √{s} ≈prox 180 GeV and First Results on F2 of the Proton from the ZEUS Experiment * Observation of a New Class of Events in Deep Inelastic Scattering * Jet Production in Muon-Proton and Muon-Nuclei Scattering at Fermilab-E665 * D0 Studies of Perturbative QCD * Large Rapidity Gaps and Single Diffraction Dissociation in High Energy pp and bar{p}p Collisions * Hadron and Reggeon Structure in High Energy Collisions * Monte Carlo Studies of Diffractive Processes in Deep Inelastic Scattering * Elastic Parton-Parton Amplitudes in Geometrical Models * Non-Perturbative QCD Calculations of High-Energy Observables * Effective Field Theory for Diffractive QCD Processes * High Energy Behavior of σtot, ρ, and B - Asymptotic Amplitude Analysis and a QCD-Inspired Analysis * Rapidity Gaps and Multiplicity Fluctuations * Branching Processes and Multi-Particle Production * High Energy Elastic Scattering and Nucleon as a Topological Soliton * The Behavior of Cross Sections at Very High Energies * The Pomeron and QCD with Many Light Quarks * Heterotic Pomeron: High Energy Hadronic Collisions in QCD * CDF Results on Electroweak Physics * DØ Results on Electroweak Physics * Search for the Top Quark and Other New Particles at DØ * Rapidity Gaps and Forward Physics at DØ * High Energy Asymptotics of Perturbative Multi-Color QCD * Rapidity Gaps in e+e- Collisions * Large Rapidity Gap, Jet Events at HERA: a PQCD Approach * High Energy Parton-Parton Elastic Scattering in QCD * Parton-Parton Elastic Scattering and Rapidity Gaps at Tevatron Energies * Hard Elastic Scattering * Hard Diffractive Processes * Three Successful Tests of Color Transparency and Nuclear Filtering * New KNO in QCD * A Chiral Condensate Search at the Tevatron * Cosmic Ray Evidences for Aligned High Energy Jets at Supertevatron Energy and Hard DDD * "New Hadronic State" Observed in Extremely High Energy Cosmic-Ray Interactions * Meson and Nucleon Form Factors in PQCD * Elastic Charge Form Factors for Pseudoscalar Mesons * The Ultimate Experiment * Search for Coherent Charm Production in 800 GeV/c Proton-Silicon Interactions * Chiral Quark Model and Hadron Scattering * Elastic Spin Experiments at UNK, Fermilab and SSC * Spin-Flip in Elastic and Diffractive Scattering * FNAL Polarized Beams and Spin Dependence at RHIC * Particle Tracking in the Close-to-Forward Region (η > 5.5) * Blois V: Experimental Summary * Blois V: Summary Talk * List of Participants

Space-based Coronagraphic Imaging Polarimetry of the TW Hydrae Disk: Shedding New Light on Self-shadowing Effects

NASA Astrophysics Data System (ADS)

Poteet, Charles A.; Chen, Christine H.; Hines, Dean C.; Perrin, Marshall D.; Debes, John H.; Pueyo, Laurent; Schneider, Glenn; Mazoyer, Johan; Kolokolova, Ludmilla

2018-06-01

We present Hubble Space Telescope Near-Infrared Camera and Multi-Object Spectrometer coronagraphic imaging polarimetry of the TW Hydrae protoplanetary disk. These observations simultaneously measure the total and polarized intensity, allowing direct measurement of the polarization fraction across the disk. In accord with the self-shadowing hypothesis recently proposed by Debes et al., we find that the total and polarized intensity of the disk exhibits strong azimuthal asymmetries at projected distances consistent with the previously reported bright and dark ring-shaped structures (∼45–99 au). The sinusoidal-like variations possess a maximum brightness at position angles near ∼268°–300° and are up to ∼28% stronger in total intensity. Furthermore, significant radial and azimuthal variations are also detected in the polarization fraction of the disk. In particular, we find that regions of lower polarization fraction are associated with annuli of increased surface brightness, suggesting that the relative proportion of multiple-to-single scattering is greater along the ring and gap structures. Moreover, we find strong (∼20%) azimuthal variation in the polarization fraction along the shadowed region of the disk. Further investigation reveals that the azimuthal variation is not the result of disk flaring effects, but is instead from a decrease in the relative contribution of multiple-to-single scattering within the shadowed region. Employing a two-layer scattering surface, we hypothesize that the diminished contribution in multiple scattering may result from shadowing by an inclined inner disk, which prevents direct stellar light from reaching the optically thick underlying surface component.

Using Neutron Scattering and Mercury Intrusion Techniques to Characterize Micro- and Nano-Pore Structure of Shale

NASA Astrophysics Data System (ADS)

Zhang, Y.; Barber, T.; Hu, Q.; Bleuel, M.

2017-12-01

The micro- and nano-pore structure of oil shale plays a critical role in hydrocarbon storage and migration. This study aims to characterize the pore structure of three Bakken members (i.e., upper organic-rich shale, middle silty/sandy dolomites, and lower organic-rich shale), through small and ultra-small angle neutron scattering (SANS and USANS) techniques, as well as mercury injection capillary pressure (MICP) analyses. SANS/USANS have the capabilities of measuring total porosity (connected and closed porosity) across nm-mm spectrum, not measurable than other fluid-invasion approaches, such as MICP which obtains connected porosity and pore-throat size distribution. Results from both techniques exhibit different features of upper/lower Bakken and middle Bakken, as a result of various mineral composition and organic matter contents. Middle Bakken is primarily dominated by the mineral pores, while in the upper and lower Bakken, organic pores contribute a significant portion of total porosity. A combination of USANS/SANS and MICP techniques gives a comprehensive picture of shale micro- and nano-pore structure.

Small-Angle and Ultrasmall-Angle Neutron Scattering (SANS/USANS) Study of New Albany Shale: A Treatise on Microporosity

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

Bahadur, Jitendra; Radlinski, Andrzej P.; Melnichenko, Yuri B.

We applied small-angle neutron scattering (SANS) and ultrasmall-angle neutron scattering (USANS) techniques to study the microstructure of several New Albany shales of different maturity. It has been established that the total porosity decreases with maturity and increases somewhat for post-mature samples. A new method of SANS data analysis was developed, which allows the extraction of information about the size range and number density of micropores from the relatively flat scattering intensity observed in the limit of the large scattering vector Q. Macropores and significant number of mesopores are surface fractals, and their structure can be described in terms of themore » polydisperse spheres (PDSP) model. The model-independent Porod invariant method was employed to estimate total porosity, and the results were compared with the PDSP model results. It has been demonstrated that independent evaluation of incoherent background is crucial for accurate interpretation of the scattering data in the limit of large Q-values. Moreover, pore volumes estimated by the N 2 and CO 2 adsorption, as well as via the mercury intrusion technique, have been compared with those measured by SANS/USANS, and possible reasons for the observed discrepancies are discussed.« less

Small-Angle and Ultrasmall-Angle Neutron Scattering (SANS/USANS) Study of New Albany Shale: A Treatise on Microporosity

DOE PAGES

Bahadur, Jitendra; Radlinski, Andrzej P.; Melnichenko, Yuri B.; ...

2014-12-17

We applied small-angle neutron scattering (SANS) and ultrasmall-angle neutron scattering (USANS) techniques to study the microstructure of several New Albany shales of different maturity. It has been established that the total porosity decreases with maturity and increases somewhat for post-mature samples. A new method of SANS data analysis was developed, which allows the extraction of information about the size range and number density of micropores from the relatively flat scattering intensity observed in the limit of the large scattering vector Q. Macropores and significant number of mesopores are surface fractals, and their structure can be described in terms of themore » polydisperse spheres (PDSP) model. The model-independent Porod invariant method was employed to estimate total porosity, and the results were compared with the PDSP model results. It has been demonstrated that independent evaluation of incoherent background is crucial for accurate interpretation of the scattering data in the limit of large Q-values. Moreover, pore volumes estimated by the N 2 and CO 2 adsorption, as well as via the mercury intrusion technique, have been compared with those measured by SANS/USANS, and possible reasons for the observed discrepancies are discussed.« less

Angular correlations of photons from solution diffraction at a free-electron laser encode molecular structure

DOE PAGES

Mendez, Derek; Watkins, Herschel; Qiao, Shenglan; ...

2016-09-26

During X-ray exposure of a molecular solution, photons scattered from the same molecule are correlated. If molecular motion is insignificant during exposure, then differences in momentum transfer between correlated photons are direct measurements of the molecular structure. In conventional small- and wide-angle solution scattering, photon correlations are ignored. This report presents advances in a new biomolecular structural analysis technique, correlated X-ray scattering (CXS), which uses angular intensity correlations to recover hidden structural details from molecules in solution. Due to its intense rapid pulses, an X-ray free electron laser (XFEL) is an excellent tool for CXS experiments. A protocol is outlinedmore » for analysis of a CXS data set comprising a total of half a million X-ray exposures of solutions of small gold nanoparticles recorded at the Spring-8 Ångström Compact XFEL facility (SACLA). From the scattered intensities and their correlations, two populations of nanoparticle domains within the solution are distinguished: small twinned, and large probably non-twinned domains. Finally, it is shown analytically how, in a solution measurement, twinning information is only accessible via intensity correlations, demonstrating how CXS reveals atomic-level information from a disordered solution of like molecules.« less

Effect of iron oxide loading on magnetoferritin structure in solution as revealed by SAXS and SANS.

PubMed

Melníková, L; Petrenko, V I; Avdeev, M V; Garamus, V M; Almásy, L; Ivankov, O I; Bulavin, L A; Mitróová, Z; Kopčanský, P

2014-11-01

Synthetic biological macromolecule of magnetoferritin containing an iron oxide core inside a protein shell (apoferritin) is prepared with different content of iron. Its structure in aqueous solution is analysed by small-angle synchrotron X-ray (SAXS) and neutron (SANS) scattering. The loading factor (LF) defined as the average number of iron atoms per protein is varied up to LF=800. With an increase of the LF, the scattering curves exhibit a relative increase in the total scattered intensity, a partial smearing and a shift of the match point in the SANS contrast variation data. The analysis shows an increase in the polydispersity of the proteins and a corresponding effective increase in the relative content of magnetic material against the protein moiety of the shell with the LF growth. At LFs above ∼150, the apoferritin shell undergoes structural changes, which is strongly indicative of the fact that the shell stability is affected by iron oxide presence. Copyright © 2014 Elsevier B.V. All rights reserved.

A re-evaluation of thermal expansion measurements of metallic liquids and glasses from x-ray scattering experiments

NASA Astrophysics Data System (ADS)

Gangopadhyay, A. K.; Kelton, K. F.

2018-05-01

Previous studies reported a number of anomalies when estimates of linear thermal expansion coefficients of metallic liquids and glasses from x-ray scattering experiments were compared with direct measurements of volume/length changes with temperature. In most cases, the first peak of the pair correlation function showed a contraction, while the structure factor showed an expansion, but both at rates much different from those expected from the direct volume measurements. In addition, the relationship between atomic volume and the characteristic lengths obtained from the structure factor from scattering experiments was found to have a fractional exponent instead of one equal to three, as expected from the Ehrenfest relation. This has led to the speculation that the atomic packing in liquids and glasses follow a fractal behavior. These issues are revisited in this study using more in-depth analysis of recent higher resolution data and some new ideas suggested in the literature. The main conclusion is that for metallic alloys, at least to a large extent, most of these anomalies arise from complicated interplays of the temperature dependences of the various partial structure factors, which contribute to the total intensities of the scattering peaks.

Regression approach to non-invasive determination of bilirubin in neonatal blood

NASA Astrophysics Data System (ADS)

Lysenko, S. A.; Kugeiko, M. M.

2012-07-01

A statistical ensemble of structural and biophysical parameters of neonatal skin was modeled based on experimental data. Diffuse scattering coefficients of the skin in the visible and infrared regions were calculated by applying a Monte-Carlo method to each realization of the ensemble. The potential accuracy of recovering the bilirubin concentration in dermis (which correlates closely with that in blood) was estimated from spatially resolved spectrometric measurements of diffuse scattering. The possibility to determine noninvasively the bilirubin concentration was shown by measurements of diffuse scattering at λ = 460, 500, and 660 nm at three source-detector separations under conditions of total variability of the skin biophysical parameters.

Quantification of Organic Porosity and Water Accessibility in Marcellus Shale Using Neutron Scattering

DOE PAGES

Gu, Xin; Mildner, David F. R.; Cole, David R.; ...

2016-04-28

Pores within organic matter (OM) are a significant contributor to the total pore system in gas shales. These pores contribute most of the storage capacity in gas shales. Here we present a novel approach to characterize the OM pore structure (including the porosity, specific surface area, pore size distribution, and water accessibility) in Marcellus shale. By using ultrasmall and small-angle neutron scattering, and by exploiting the contrast matching of the shale matrix with suitable mixtures of deuterated and protonated water, both total and water-accessible porosity were measured on centimeter-sized samples from two boreholes from the nanometer to micrometer scale withmore » good statistical coverage. Samples were also measured after combustion at 450 °C. Analysis of scattering data from these procedures allowed quantification of OM porosity and water accessibility. OM hosts 24–47% of the total porosity for both organic-rich and -poor samples. This porosity occupies as much as 29% of the OM volume. In contrast to the current paradigm in the literature that OM porosity is organophilic and therefore not likely to contain water, our results demonstrate that OM pores with widths >20 nm exhibit the characteristics of water accessibility. In conclusion, our approach reveals the complex structure and wetting behavior of the OM porosity at scales that are hard to interrogate using other techniques.« less

Quantification of Organic Porosity and Water Accessibility in Marcellus Shale Using Neutron Scattering

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

Gu, Xin; Mildner, David F. R.; Cole, David R.

Pores within organic matter (OM) are a significant contributor to the total pore system in gas shales. These pores contribute most of the storage capacity in gas shales. Here we present a novel approach to characterize the OM pore structure (including the porosity, specific surface area, pore size distribution, and water accessibility) in Marcellus shale. By using ultrasmall and small-angle neutron scattering, and by exploiting the contrast matching of the shale matrix with suitable mixtures of deuterated and protonated water, both total and water-accessible porosity were measured on centimeter-sized samples from two boreholes from the nanometer to micrometer scale withmore » good statistical coverage. Samples were also measured after combustion at 450 °C. Analysis of scattering data from these procedures allowed quantification of OM porosity and water accessibility. OM hosts 24–47% of the total porosity for both organic-rich and -poor samples. This porosity occupies as much as 29% of the OM volume. In contrast to the current paradigm in the literature that OM porosity is organophilic and therefore not likely to contain water, our results demonstrate that OM pores with widths >20 nm exhibit the characteristics of water accessibility. In conclusion, our approach reveals the complex structure and wetting behavior of the OM porosity at scales that are hard to interrogate using other techniques.« less

Indication of the Hanle Effect by Comparing the Scattering Polarization Observed by CLASP in the Ly α and Si iii 120.65 nm Lines

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

Ishikawa, R.; Kubo, M.; Kano, R.

The Chromospheric Lyman-Alpha Spectro-Polarimeter is a sounding rocket experiment that has provided the first successful measurement of the linear polarization produced by scattering processes in the hydrogen Ly α line (121.57 nm) radiation of the solar disk. In this paper, we report that the Si iii line at 120.65 nm also shows scattering polarization and we compare the scattering polarization signals observed in the Ly α and Si iii lines in order to search for observational signatures of the Hanle effect. We focus on four selected bright structures and investigate how the U / I spatial variations vary between themore » Ly α wing, the Ly α core, and the Si iii line as a function of the total unsigned photospheric magnetic flux estimated from Solar Dynamics Observatory /Helioseismic and Magnetic Imager observations. In an internetwork region, the Ly α core shows an antisymmetric spatial variation across the selected bright structure, but it does not show it in other more magnetized regions. In the Si iii line, the spatial variation of U / I deviates from the above-mentioned antisymmetric shape as the total unsigned photospheric magnetic flux increases. A plausible explanation of this difference is the operation of the Hanle effect. We argue that diagnostic techniques based on the scattering polarization observed simultaneously in two spectral lines with very different sensitivities to the Hanle effect, like Ly α and Si iii, are of great potential interest for exploring the magnetism of the upper solar chromosphere and transition region.« less

The extraordinary radar echoes from Europa, Ganymede, and Callisto: A geological perspective

USGS Publications Warehouse

Ostro, S.J.; Shoemaker, E.M.

1990-01-01

This outline of plausible geologic explanations for the icy Galilean satellites' radar properties takes into consideration electromagnetic scattering models for the echoes, available empirical and theoretical information about regolith formation, and ice physics. The strange radar signatures arise because (1) ice is electrically different from silicates and/or (2) icy regoliths contain bulk-density (and hence refractive-index) structures absent within silicate regoliths. Ice's relatively high radar-frequency transparency compared with that of silicates permits longer photon path lengths, deeper radar sounding, and a greater number of scattering events. Consequently, scattering mechanisms that cannot contribute significantly to lunar echoes can dominate icy-satellite echoes. Possible phenomena unique to icy regoliths include (1) smoothing out of discontinuities between solid ejecta fragments and more porous surroundings under the action of thermal annealing to form refraction-scattering (RS) "lenses" and (2) formation of density enhancements in the shape of crater floors that result in RS and/or total internal reflection (TIR). In either case, high-order multiple scattering is more likely to be responsible for the echoes than low-order scattering. Radar/radio observations can constrain the order of the scattering and the scale of the structures responsible for the echoes but might not determine whether TIR or RS dominates the scattering. Multiwavelength investigations of the degree of correlation between radar properties and geologic terrain type should prove most useful, because inter- and intrasatellite variations in radar properties probably correspond to variations in ice purity, regolith thickness, and regolith thermal history and age. ?? 1990.

Sensing Properties of a Fabry-Perot Dielectric Structure and Dimer Nanoparticles

DOE PAGES

Polemi, A.; Shuford, K. L.

2012-01-01

We investigate the use of a Fabry-Perot dielectric structure combined with differently shaped nanoparticles for Surface Enhanced Raman Scattering. In particular, we show how an ideal two-layer Fabry-Perot configuration enhances the local surface field of silver nanoparticles positioned on the surface of the structure. We develop the concept using disc dimers and then extend the discussion to bowtie nanoparticles. The structure is excited by a single emitter, which couples to the nanoparticles through the dielectric layers, producing a wide aperture field that can be used to excite multiple dimers. We show how an array of nanoparticles can be properly arrangedmore » in order to increase the total scattering signal generated from the structure. The layered geometry produces robust field properties in between nanoparticles, making the overall sensing characteristics less sensitive to the interparticle seperation distance and incident polarization.« less

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

Polemi, A.; Shuford, K. L.

We investigate the use of a Fabry-Perot dielectric structure combined with differently shaped nanoparticles for Surface Enhanced Raman Scattering. In particular, we show how an ideal two-layer Fabry-Perot configuration enhances the local surface field of silver nanoparticles positioned on the surface of the structure. We develop the concept using disc dimers and then extend the discussion to bowtie nanoparticles. The structure is excited by a single emitter, which couples to the nanoparticles through the dielectric layers, producing a wide aperture field that can be used to excite multiple dimers. We show how an array of nanoparticles can be properly arrangedmore » in order to increase the total scattering signal generated from the structure. The layered geometry produces robust field properties in between nanoparticles, making the overall sensing characteristics less sensitive to the interparticle seperation distance and incident polarization.« less

An optimized surface plasmon photovoltaic structure using energy transfer between discrete nano-particles.

PubMed

Lin, Albert; Fu, Sze-Ming; Chung, Yen-Kai; Lai, Shih-Yun; Tseng, Chi-Wei

2013-01-14

Surface plasmon enhancement has been proposed as a way to achieve higher absorption for thin-film photovoltaics, where surface plasmon polariton(SPP) and localized surface plasmon (LSP) are shown to provide dense near field and far field light scattering. Here it is shown that controlled far-field light scattering can be achieved using successive coupling between surface plasmonic (SP) nano-particles. Through genetic algorithm (GA) optimization, energy transfer between discrete nano-particles (ETDNP) is identified, which enhances solar cell efficiency. The optimized energy transfer structure acts like lumped-element transmission line and can properly alter the direction of photon flow. Increased in-plane component of wavevector is thus achieved and photon path length is extended. In addition, Wood-Rayleigh anomaly, at which transmission minimum occurs, is avoided through GA optimization. Optimized energy transfer structure provides 46.95% improvement over baseline planar cell. It achieves larger angular scattering capability compared to conventional surface plasmon polariton back reflector structure and index-guided structure due to SP energy transfer through mode coupling. Via SP mediated energy transfer, an alternative way to control the light flow inside thin-film is proposed, which can be more efficient than conventional index-guided mode using total internal reflection (TIR).

Real-time x-ray scattering study of the initial growth of organic crystals on polymer brushes

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

An, Sung Yup; Ahn, Kwangseok; Kim, Doris Yangsoo

2014-04-21

We studied the early-stage growth structures of pentacene organic crystals grown on polymer brushes using real-time x-ray scattering techniques. In situ x-ray reflectivity and atomic force microscopy analyses revealed that at temperatures close to the glass transition temperature of polymer brush, the pentacene overlayer on a polymer brush film showed incomplete condensation and 3D island structures from the first monolayer. A growth model based on these observations was used to quantitatively analyze the real-time anti-Bragg x-ray scattering intensities measured during pentacene growth to obtain the time-dependent layer coverage of the individual pentacene monolayers. The extracted total coverage confirmed significant desorptionmore » and incomplete condensation in the pentacene films deposited on the polymer brushes. These effects are ascribed to the change in the surface viscoelasticity of the polymer brushes around the glass transition temperature.« less

Atomic displacements in the charge ice pyrochlore Bi2Ti2O6O' studied by neutron total scattering

NASA Astrophysics Data System (ADS)

Shoemaker, Daniel P.; Seshadri, Ram; Hector, Andrew L.; Llobet, Anna; Proffen, Thomas; Fennie, Craig J.

2010-04-01

The oxide pyrochlore Bi2Ti2O6O' is known to be associated with large displacements of Bi and O' atoms from their ideal crystallographic positions. Neutron total scattering, analyzed in both reciprocal and real space, is employed here to understand the nature of these displacements. Rietveld analysis and maximum entropy methods are used to produce an average picture of the structural nonideality. Local structure is modeled via large-box reverse Monte Carlo simulations constrained simultaneously by the Bragg profile and real-space pair distribution function. Direct visualization and statistical analyses of these models show the precise nature of the static Bi and O' displacements. Correlations between neighboring Bi displacements are analyzed using coordinates from the large-box simulations. The framework of continuous symmetry measures has been applied to distributions of O'Bi4 tetrahedra to examine deviations from ideality. Bi displacements from ideal positions appear correlated over local length scales. The results are consistent with the idea that these nonmagnetic lone-pair containing pyrochlore compounds can be regarded as highly structurally frustrated systems.

Copper doped TiO2 nanoparticles characterized by X-ray absorption spectroscopy, total scattering, and powder diffraction--a benchmark structure-property study.

PubMed

Lock, Nina; Jensen, Ellen M L; Mi, Jianli; Mamakhel, Aref; Norén, Katarina; Qingbo, Meng; Iversen, Bo B

2013-07-14

Metal functionalized nanoparticles potentially have improved properties e.g. in catalytic applications, but their precise structures are often very challenging to determine. Here we report a structural benchmark study based on tetragonal anatase TiO2 nanoparticles containing 0-2 wt% copper. The particles were synthesized by continuous flow synthesis under supercritical water-isopropanol conditions. Size determination using synchrotron PXRD, TEM, and X-ray total scattering reveals 5-7 nm monodisperse particles. The precise dopant structure and thermal stability of the highly crystalline powders were characterized by X-ray absorption spectroscopy and multi-temperature synchrotron PXRD (300-1000 K). The combined evidence reveals that copper is present as a dopant on the particle surfaces, most likely in an amorphous oxide or hydroxide shell. UV-VIS spectroscopy shows that copper presence at concentrations higher than 0.3 wt% lowers the band gap energy. The particles are unaffected by heating to 600 K, while growth and partial transformation to rutile TiO2 occur at higher temperatures. Anisotropic unit cell behavior of anatase is observed as a consequence of the particle growth (a decreases and c increases).

An Evaluation of the Scattering Law for Light and Heavy Water in ENDF-6 Format, Based on Experimental Data and Molecular Dynamics

NASA Astrophysics Data System (ADS)

Márquez Damián, J. I.; Granada, J. R.; Malaspina, D. C.

2014-04-01

In this work we present an evaluation in ENDF-6 format of the scattering law for light and heavy water computed using the LEAPR module of NJOY99. The models used in this evaluation are based on experimental data on light water dynamics measured by Novikov, partial structure factors obtained by Soper, and molecular dynamics calculations performed with GROMACS using a reparameterized version of the flexible SPC model by Toukan and Rahman. The models use the Egelstaff-Schofield diffusion equation for translational motion, and a continuous spectrum calculated from the velocity autocorrelation function computed with GROMACS. The scattering law for H in H2O is computed using the incoherent approximation, and the scattering law D and O in D2O are computed using the Sköld approximation for coherent scattering. The calculations show significant improvement over ENDF/B-VI and ENDF/B-VII when compared with measurements of the total cross section, differential scattering experiments and quasi-elastic neutron scattering experiments (QENS).

Controlling Radiative Heat Transfer Across the Mold Flux Layer by the Scattering Effect of the Borosilicate Mold Flux System with Metallic Iron

NASA Astrophysics Data System (ADS)

Yoon, Dae-Woo; Cho, Jung-Wook; Kim, Seon-Hyo

2017-08-01

The present study proposes a countermeasure for regulating total heat flux through the mold flux layer by designed mold flux with additive metallic iron particles. The heat flux through the B2O3-CaO-SiO2-Na2O-CaF2-Fe system was investigated using the infrared emitter technique to evaluate total flux density across the mold flux film. Both scanning electron microscope (SEM) and X-ray diffraction analysis were employed in order to identify the morphological and compositional changes of the crystalline phase, according to increasing iron contents in the mold flux. It was confirmed that the crystalline layer of studied mold fluxes does not have a meaningful effect on the total heat flux density due to the similar structure and fraction of the crystalline phase. The extinction coefficient was measured for glassy mold fluxes using an ultraviolet/visible and a Fourier transformation-infrared ray spectrometer in the range of 0.5 to 5 μm. For analyzing the scattering behavior of iron particles on the extinction coefficient, the number density and diameter of particles were observed by an automated SEM (auto-SEM). With these data, Mie scattering theory is adopted to define the scattering behavior of dispersed iron droplets in glassy matrix. It was found that the theoretical scattering coefficient demonstrated about 1623 to 3295 m-1, which is in accordance with the experimental results. In doing so, this study successfully achieves the strong scattering behavior that would contribute greatly to the optimization of overall heat flux through the mold flux film during the casting process.

Pair distribution function analysis applied to decahedral gold nanoparticles

NASA Astrophysics Data System (ADS)

Nakotte, H.; Silkwood, C.; Page, K.; Wang, H.-W.; Olds, D.; Kiefer, B.; Manna, S.; Karpov, D.; Fohtung, E.; Fullerton, E. E.

2017-11-01

The five-fold symmetry of face-centered cubic (fcc) derived nanoparticles is inconsistent with the translational symmetry of a Bravais lattice and generally explained by multiple twinning of a tetrahedral subunit about a (joint) symmetry axis, with or without structural modification to the fcc motif. Unlike in bulk materials, five-fold twinning in cubic nanoparticles is common and strongly affects their structural, chemical, and electronic properties. To test and verify theoretical approaches, it is therefore pertinent that the local structural features of such materials can be fully characterized. The small size of nanoparticles severely limits the application of traditional analysis techniques, such as Bragg diffraction. A complete description of the atomic arrangement in nanoparticles therefore requires a departure from the concept of translational symmetry, and prevents fully evaluating all the structural features experimentally. We describe how recent advances in instrumentation, together with the increasing power of computing, are shaping the development of alternative analysis methods of scattering data for nanostructures. We present the application of Debye scattering and pair distribution function (PDF) analysis towards modeling of the total scattering data for the example of decahedral gold nanoparticles. PDF measurements provide a statistical description of the pair correlations of atoms within a material, allowing one to evaluate the probability of finding two atoms within a given distance. We explored the sensitivity of existing synchrotron x-ray PDF instruments for distinguishing four different simple models for our gold nanoparticles: a multiply twinned fcc decahedron with either a single gap or multiple distributed gaps, a relaxed body-centered orthorhombic (bco) decahedron, and a hybrid decahedron. The data simulations of the models were then compared with experimental data from synchrotron x-ray total scattering. We present our experimentally derived atomistic models of the gold nanoparticles, with surprising results and a perspective on remaining challenges. Our findings provide evidence for the suitability of PDF analysis in the characterization of other nanosized particles that may have commercial applications.

X-ray and neutron total scattering analysis of Hy·(Bi0.2Ca0.55Sr0.25)(Ag0.25Na0.75)Nb3O10·xH2O perovskite nanosheet booklets with stacking disorder

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

Metz, Peter; Koch, Robert; Cladek, Bernadette

Ion-exchanged Aurivillius materials form perovskite nanosheet booklets wherein well-defined bi-periodic sheets, with ~11.5 Å thickness, exhibit extensive stacking disorder. The perovskite layer contents were defined initially using combined synchrotron X-ray and neutron Rietveld refinement of the parent Aurivillius structure. The structure of the subsequently ion-exchanged material, which is disordered in its stacking sequence, is analyzed using both pair distribution function (PDF) analysis and recursive method simulations of the scattered intensity. Combined X-ray and neutron PDF refinement of supercell stacking models demonstrates sensitivity of the PDF to both perpendicular and transverse stacking vector components. Further, hierarchical ensembles of stacking models weightedmore » by a standard normal distribution are demonstrated to improve PDF fit over 1–25 Å. Recursive method simulations of the X-ray scattering profile demonstrate agreement between the real space stacking analysis and more conventional reciprocal space methods. The local structure of the perovskite sheet is demonstrated to relax only slightly from the Aurivillius structure after ion exchange.« less

Optical phonon characteristics of an orthorhombic-transformed polymorph of CaTa2O6 single crystal fibre

NASA Astrophysics Data System (ADS)

Almeida, R. M.; Andreeta, M. R. B.; Hernandes, A. C.; Dias, A.; Moreira, R. L.

2014-03-01

Infrared-reflectivity spectroscopy and micro-Raman scattering were used to determine the optical phonon features of orthorhombic calcium tantalite (CaTa2O6) single crystal fibres. The fibres, obtained by the Laser-Heated Pedestal Growth method, grew into an ordered cubic structure \\left( Pm\\bar{3} \\right). Long-time annealing was used to induce a polymorphic transformation to an aeschynite orthorhombic structure (Pnma space group). The phase transformation led to the appearance of structural domains and micro-cracks, responsible for diffuse scattering and depolarization of the scattered light in the visible range, but not in the infrared region. Thus, polarized infrared spectroscopy could be performed within oriented single domains, with an appropriate microscope, allowing us to determine all relevant polar phonons of the orthorhombic CaTa2O6. The obtained phononic dielectric response, {{\\epsilon }_{r}} = 22.4 and = 86 × 103 GHz, shows the appropriateness of the material for microwave applications. Totally symmetric Raman modes could be resolved by polarization, after re-polishing the cracked sample surface.

Local Atomic Structure Deviation from Average Structure of Na0.5Bi0.5TiO3: Combined X-ray and Neutron Total Scattering Study

DTIC Science & Technology

2013-03-27

part of a new generation of ferroelectric materials used in a multitude of piezoelectric applications. This work examines the short and long range...2211 15. SUBJECT TERMS Na0.5Bi0.5TiO3, ferroelectric , structure, Rietveld, local structure Elena Aksel, Jennifer S. Forrester, Juan C. Nino, Katharine...a new generation of ferroelectric materials used in a multitude of piezoelectric applications. This work examines the short and long range structure

AdS Black Disk Model for Small-x Deep Inelastic Scattering

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

Cornalba, Lorenzo; Costa, Miguel S.; Penedones, Joao

2010-08-13

Using the approximate conformal invariance of QCD at high energies we consider a simple anti-de Sitter black disk model to describe saturation in deep inelastic scattering. Deep inside saturation the structure functions have the same power law scaling, F{sub T}{approx}F{sub L}{approx}x{sup -{omega}}, where {omega} is related to the expansion rate of the black disk with energy. Furthermore, the ratio F{sub L}/F{sub T} is given by the universal value (1+{omega}/3+{omega}), independently of the target. For {gamma}*-{gamma}* scattering at high energies we obtain explicit expressions and ratios for the total cross sections of transverse and longitudinal photons in terms of the singlemore » parameter {omega}.« less

Semimicroscopic analysis of 6Li+28Si elastic scattering at 76 to 318 MeV

NASA Astrophysics Data System (ADS)

Hassanain, M. A.; Anwar, M.; Behairy, Kassem O.

2018-04-01

Using the α-cluster structure of colliding nuclei, the elastic scattering of 6Li+28Si at energies from 76 to 318 MeV has been investigated by the use of the real folding cluster approach. The results of the cluster analysis are compared with those obtained by the CDM3Y6 effective density- and energy-dependent nucleon-nucleon (NN) interaction based upon G -matrix elements of the M3Y-Paris potential. A Woods-Saxon (WS) form was used for the imaginary potential. For all energies and derived potentials, the diffraction region was well reproduced, except at Elab=135 and 154 MeV at large angle. These results suggest that the addition of the surface (DWS) imaginary potential term to the volume imaginary potential is essential for a correct description of the refractive structure of the 6Li elastic scattering distribution at these energies. The energy dependence of the total reaction cross sections and that of the real and imaginary volume integrals is also discussed.

Bend-imitating models of abruptly bent electron waveguides

NASA Astrophysics Data System (ADS)

Vakhnenko, Oleksiy O.

2011-07-01

The fundamentals of bend-imitating approach regarding the one-electron quantum mechanics in abruptly bent ideal electron waveguides are given. In general, the theory allows to model each particular circularlike bend of a continuous quantum wire as some effective multichannel scatterer being pointlike in longitudinal direction. Its scattering ability is determined by the bending angle, mean bending radius, lateral coordinate (or coordinates) in wire cross section, time (or electronic energy), and possibly by the applied magnetic field. In an equivalent formulation, the theory gives rise to rather simple matching rules for the electron wave function and its longitudinal derivative affecting only the straight parts of a wire and thereby permitting to bypass a detailed quantum mechanical consideration of elbow domains. The proposed technique is applicable for the analytical investigation of spectral and transport electronic properties related to the ideal abruptly bent 3D wirelike structures of fixed cross section and is adaptable to the 2D wirelike structures as well as to the wirelike structures subjected to the magnetic field perpendicular to the plane of wire bending. In the framework of bend-imitating approach, the investigation of electron scattering in a singly bent 2D quantum wire and a doubly bent 2D quantum wire with S-like bend has been made and the explicit dependences of transmission and reflection coefficients on geometrical parameters of respective structure as well as on electron energy have been obtained. The total suppression of mixing between the scattering channels of S-like bent quantum wire is predicted.

Total cross section of furfural by electron impact: Experiment and theory.

PubMed

Traoré Dubuis, A; Verkhovtsev, A; Ellis-Gibbings, L; Krupa, K; Blanco, F; Jones, D B; Brunger, M J; García, G

2017-08-07

We present experimental total cross sections for electron scattering from furfural in the energy range from 10 to 1000 eV, as measured using a double electrostatic analyzer gas cell electron transmission experiment. These results are compared to theoretical data for furfural, as well as to experimental and theoretical values for the structurally similar molecules furan and tetrahydrofuran. The measured total cross section is in agreement with the theoretical results obtained by means of the independent-atom model with screening corrected additivity rule including interference method. In the region of higher electron energies, from 500 eV to 10 keV, the total electron scattering cross section is also estimated using a semi-empirical model based on the number of electrons and dipole polarizabilities of the molecular targets. Together with the recently measured differential and integral cross sections, and the furfural energy-loss spectra, the present total cross section data nearly complete the data set that is required for numerical simulation of low-energy electron processes in furfural, covering the range of projectile energies from a few electron volts up to 10 keV.

Total cross section of furfural by electron impact: Experiment and theory

NASA Astrophysics Data System (ADS)

Traoré Dubuis, A.; Verkhovtsev, A.; Ellis-Gibbings, L.; Krupa, K.; Blanco, F.; Jones, D. B.; Brunger, M. J.; García, G.

2017-08-01

We present experimental total cross sections for electron scattering from furfural in the energy range from 10 to 1000 eV, as measured using a double electrostatic analyzer gas cell electron transmission experiment. These results are compared to theoretical data for furfural, as well as to experimental and theoretical values for the structurally similar molecules furan and tetrahydrofuran. The measured total cross section is in agreement with the theoretical results obtained by means of the independent-atom model with screening corrected additivity rule including interference method. In the region of higher electron energies, from 500 eV to 10 keV, the total electron scattering cross section is also estimated using a semi-empirical model based on the number of electrons and dipole polarizabilities of the molecular targets. Together with the recently measured differential and integral cross sections, and the furfural energy-loss spectra, the present total cross section data nearly complete the data set that is required for numerical simulation of low-energy electron processes in furfural, covering the range of projectile energies from a few electron volts up to 10 keV.

Quasi-elastic neutron scattering study of a re-entrant side-chain liquid-crystal polyacrylate

NASA Astrophysics Data System (ADS)

Benguigui, L.; Noirez, L.; Kahn, R.; Keller, P.; Lambert, M.; Cohen de Lara, E.

1991-04-01

We present a first investigation of the dynamics of a side chain liquid crystal polyacrylate in the isotropic (I), nematic (N), smectic A (SA), and re-entrant nematic (NRe) phases by means of quasi-elastic neutron scattering. The motion or/and the mobility of the mesogen protons decreases as soon as the temperature decreases after the isotropic-nematic transition. The I-N and SA-NRe transitions corrspond to a jump in the curve of the Elastic Incoherent Structure Factor (ratio: elastic scattering/ total scattering) versus temperature, on the other hand the transition N-SA occurs without any change of slope. We conclude that the local order is very similar in the nematic and the smectic A phases. Nous présentons une première étude dynamique par diffusion quasi-élastique des neutrons, d'un échantillon de polyacrylate mésomorphe en peigne dans chacune des phases : isotrope, nématique, smectique et nématique rentrante. On montre que le mouvement et/ou la mobilité des protons du mésogène se restreint à mesure que la température diminue après la transition isotrope-nématique. Contrairement à la transition N-SA, les transitions I-N et SA-NRe correspondent à une discontinuité dans la courbe du Facteur de Structure Incohérent Elastique (rapport : intensité élastique/intensité totale) en fonction de la température ; l'ordre local semble donc très proche pour les phases nématique et smectique.

Experimental and computational studies of electromagnetic cloaking at microwaves

NASA Astrophysics Data System (ADS)

Wang, Xiaohui

An invisibility cloak is a device that can hide the target by enclosing it from the incident radiation. This intriguing device has attracted a lot of attention since it was first implemented at a microwave frequency in 2006. However, the problems of existing cloak designs prevent them from being widely applied in practice. In this dissertation, we try to remove or alleviate the three constraints for practical applications imposed by loosy cloaking media, high implementation complexity, and small size of hidden objects compared to the incident wavelength. To facilitate cloaking design and experimental characterization, several devices and relevant techniques for measuring the complex permittivity of dielectric materials at microwave frequencies are developed. In particular, a unique parallel plate waveguide chamber has been set up to automatically map the electromagnetic (EM) field distribution for wave propagation through the resonator arrays and cloaking structures. The total scattering cross section of the cloaking structures was derived based on the measured scattering field by using this apparatus. To overcome the adverse effects of lossy cloaking media, microwave cloaks composed of identical dielectric resonators made of low loss ceramic materials are designed and implemented. The effective permeability dispersion was provided by tailoring dielectric resonator filling fractions. The cloak performances had been verified by full-wave simulation of true multi-resonator structures and experimental measurements of the fabricated prototypes. With the aim to reduce the implementation complexity caused by metamaterials employment for cloaking, we proposed to design 2-D cylindrical cloaks and 3-D spherical cloaks by using multi-layer ordinary dielectric material (epsilon r>1) coating. Genetic algorithm was employed to optimize the dielectric profiles of the cloaking shells to provide the minimum scattering cross sections of the cloaked targets. The designed cloaks can be easily scaled to various operating frequencies. The simulation results show that the multi-layer cylindrical cloak essentially outperforms the similarly sized metamaterials-based cloak designed by using the transformation optics-based reduced parameters. For the designed spherical cloak, the simulated scattering pattern shows that the total scattering cross section is greatly reduced. In addition, the scattering in specific directions could be significantly reduced. It is shown that the cloaking efficiency for larger targets could be improved by employing lossy materials in the shell. At last, we propose to hide a target inside a waveguide structure filled with only epsilon near zero materials, which are easy to implement in practice. The cloaking efficiency of this method, which was found to increase for large targets, has been confirmed both theoretically and by simulations.

Calculation of total and ionization cross sections for electron scattering by primary benzene compounds

NASA Astrophysics Data System (ADS)

Singh, Suvam; Naghma, Rahla; Kaur, Jaspreet; Antony, Bobby

2016-07-01

The total and ionization cross sections for electron scattering by benzene, halobenzenes, toluene, aniline, and phenol are reported over a wide energy domain. The multi-scattering centre spherical complex optical potential method has been employed to find the total elastic and inelastic cross sections. The total ionization cross section is estimated from total inelastic cross section using the complex scattering potential-ionization contribution method. In the present article, the first theoretical calculations for electron impact total and ionization cross section have been performed for most of the targets having numerous practical applications. A reasonable agreement is obtained compared to existing experimental observations for all the targets reported here, especially for the total cross section.

Measurement system to determine the total and angle-resolved light scattering of optical components in the deep-ultraviolet and vacuum-ultraviolet spectral regions

NASA Astrophysics Data System (ADS)

Schröder, Sven; Gliech, Stefan; Duparré, Angela

2005-10-01

An instrumentation for total and angle-resolved scattering (ARS) at 193 and 157 nm has been developed at the Fraunhofer Institute in Jena to meet the severe requirements for scattering analysis of deep- and vacuum-ultraviolet optical components. Extremely low backscattering levels of 10^-6 for the total scattering measurements and more than 9 orders of magnitude dynamic range for ARS have been accomplished. Examples of application extend from the control of at-wavelength scattering losses of superpolished substrates with rms roughness as small as 0.1 nm to the detection of volume material scattering and the study into the scattering of multilayer coatings. In addition, software programs were developed to model the roughness-induced light scattering of substrates and thin-film coatings.

Simple scattering analysis and simulation of optical components created by additive manufacturing

NASA Astrophysics Data System (ADS)

Rank, M.; Horsak, A.; Heinrich, A.

2017-10-01

Additive manufacturing of optical elements is known but still new to the field of optical fabrication. In 3D printers, the parts are deposited layer-by-layer approximating the shape defined in optics design enabling new shapes, which cannot be manufactured using conventional methods. However, the layered structure also causes surface roughness and subsurface scattering, which decrease the quality of optical elements. Illuminating a flat sample with a laser beam, different light distributions are generated on a screen depending on the printing orientation of the sample. Whereas the laser beam is mainly diffused by the samples, a line shaped light distribution can be achieved for a special case in which the laser light goes parallel to the layer structure. These optical effects of 3D printed parts are analyzed using a goniometric setup and fed back into the optics simulation with the goal to improve the design considering the characteristics of the real sample. For a detailed look on the effect, the total scattering is split up into surface contributions and subsurface scattering using index matching techniques to isolate the effects from each other. For an index matched sample with negligible surface effects the line shaped distribution turns into a diffraction pattern which corresponds to the layer thickness of the printer. Finally, an optic simulation with the scattering data is set up for a simple curved sample. The light distribution measured with a robot-based goniophotometer differs from the simulation, because the curvature is approximated by the layer structure. This makes additional analysis necessary.

On the road to metallic nanoparticles by rational design: bridging the gap between atomic-level theoretical modeling and reality by total scattering experiments

NASA Astrophysics Data System (ADS)

Prasai, Binay; Wilson, A. R.; Wiley, B. J.; Ren, Y.; Petkov, Valeri

2015-10-01

The extent to which current theoretical modeling alone can reveal real-world metallic nanoparticles (NPs) at the atomic level was scrutinized and demonstrated to be insufficient and how it can be improved by using a pragmatic approach involving straightforward experiments is shown. In particular, 4 to 6 nm in size silica supported Au100-xPdx (x = 30, 46 and 58) explored for catalytic applications is characterized structurally by total scattering experiments including high-energy synchrotron X-ray diffraction (XRD) coupled to atomic pair distribution function (PDF) analysis. Atomic-level models for the NPs are built by molecular dynamics simulations based on the archetypal for current theoretical modeling Sutton-Chen (SC) method. Models are matched against independent experimental data and are demonstrated to be inaccurate unless their theoretical foundation, i.e. the SC method, is supplemented with basic yet crucial information on the length and strength of metal-to-metal bonds and, when necessary, structural disorder in the actual NPs studied. An atomic PDF-based approach for accessing such information and implementing it in theoretical modeling is put forward. For completeness, the approach is concisely demonstrated on 15 nm in size water-dispersed Au particles explored for bio-medical applications and 16 nm in size hexane-dispersed Fe48Pd52 particles explored for magnetic applications as well. It is argued that when ``tuned up'' against experiments relevant to metals and alloys confined to nanoscale dimensions, such as total scattering coupled to atomic PDF analysis, rather than by mere intuition and/or against data for the respective solids, atomic-level theoretical modeling can provide a sound understanding of the synthesis-structure-property relationships in real-world metallic NPs. Ultimately this can help advance nanoscience and technology a step closer to producing metallic NPs by rational design.The extent to which current theoretical modeling alone can reveal real-world metallic nanoparticles (NPs) at the atomic level was scrutinized and demonstrated to be insufficient and how it can be improved by using a pragmatic approach involving straightforward experiments is shown. In particular, 4 to 6 nm in size silica supported Au100-xPdx (x = 30, 46 and 58) explored for catalytic applications is characterized structurally by total scattering experiments including high-energy synchrotron X-ray diffraction (XRD) coupled to atomic pair distribution function (PDF) analysis. Atomic-level models for the NPs are built by molecular dynamics simulations based on the archetypal for current theoretical modeling Sutton-Chen (SC) method. Models are matched against independent experimental data and are demonstrated to be inaccurate unless their theoretical foundation, i.e. the SC method, is supplemented with basic yet crucial information on the length and strength of metal-to-metal bonds and, when necessary, structural disorder in the actual NPs studied. An atomic PDF-based approach for accessing such information and implementing it in theoretical modeling is put forward. For completeness, the approach is concisely demonstrated on 15 nm in size water-dispersed Au particles explored for bio-medical applications and 16 nm in size hexane-dispersed Fe48Pd52 particles explored for magnetic applications as well. It is argued that when ``tuned up'' against experiments relevant to metals and alloys confined to nanoscale dimensions, such as total scattering coupled to atomic PDF analysis, rather than by mere intuition and/or against data for the respective solids, atomic-level theoretical modeling can provide a sound understanding of the synthesis-structure-property relationships in real-world metallic NPs. Ultimately this can help advance nanoscience and technology a step closer to producing metallic NPs by rational design. Electronic supplementary information (ESI) available: XRD patterns, TEM and 3D structure modelling methodology. See DOI: 10.1039/c5nr04678e

Imaging cortical absorption, scattering, and hemodynamic response during ischemic stroke using spatially modulated near-infrared illumination

NASA Astrophysics Data System (ADS)

Abookasis, David; Lay, Christopher C.; Mathews, Marlon S.; Linskey, Mark E.; Frostig, Ron D.; Tromberg, Bruce J.

2009-03-01

We describe a technique that uses spatially modulated near-infrared (NIR) illumination to detect and map changes in both optical properties (absorption and reduced scattering parameters) and tissue composition (oxy- and deoxyhemoglobin, total hemoglobin, and oxygen saturation) during acute ischemic injury in the rat barrel cortex. Cerebral ischemia is induced using an open vascular occlusion technique of the middle cerebral artery (MCA). Diffuse reflected NIR light (680 to 980 nm) from the left parietal somatosensory cortex is detected by a CCD camera before and after MCA occlusion. Monte Carlo simulations are used to analyze the spatial frequency dependence of the reflected light to predict spatiotemporal changes in the distribution of tissue absorption and scattering properties in the brain. Experimental results from seven rats show a 17+/-4.7% increase in tissue concentration of deoxyhemoglobin and a 45+/-3.1, 23+/-5.4, and 21+/-2.2% decrease in oxyhemoglobin, total hemoglobin concentration and cerebral tissue oxygen saturation levels, respectively, 45 min following induction of cerebral ischemia. An ischemic index (Iisch=ctHHb/ctO2Hb) reveals an average of more then twofold contrast after MCAo. The wavelength-dependence of the reduced scattering (i.e., scatter power) decreased by 35+/-10.3% after MCA occlusion. Compared to conventional CCD-based intrinsic signal optical imaging (ISOI), the use of structured illumination and model-based analysis allows for generation of separate maps of light absorption and scattering properties as well as tissue hemoglobin concentration. This potentially provides a powerful approach for quantitative monitoring and imaging of neurophysiology and metabolism with high spatiotemporal resolution.

Optical Model and Cross Section Uncertainties

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

Herman,M.W.; Pigni, M.T.; Dietrich, F.S.

2009-10-05

Distinct minima and maxima in the neutron total cross section uncertainties were observed in model calculations using spherical optical potential. We found this oscillating structure to be a general feature of quantum mechanical wave scattering. Specifically, we analyzed neutron interaction with 56Fe from 1 keV up to 65 MeV, and investigated physical origin of the minima.We discuss their potential importance for practical applications as well as the implications for the uncertainties in total and absorption cross sections.

The First 24 Years of Reverse Monte Carlo Modelling, Budapest, Hungary, 20-22 September 2012

NASA Astrophysics Data System (ADS)

Keen, David A.; Pusztai, László

2013-11-01

This special issue contains a collection of papers reflecting the content of the fifth workshop on reverse Monte Carlo (RMC) methods, held in a hotel on the banks of the Danube in the Budapest suburbs in the autumn of 2012. Over fifty participants gathered to hear talks and discuss a broad range of science based on the RMC technique in very convivial surroundings. Reverse Monte Carlo modelling is a method for producing three-dimensional disordered structural models in quantitative agreement with experimental data. The method was developed in the late 1980s and has since achieved wide acceptance within the scientific community [1], producing an average of over 90 papers and 1200 citations per year over the last five years. It is particularly suitable for the study of the structures of liquid and amorphous materials, as well as the structural analysis of disordered crystalline systems. The principal experimental data that are modelled are obtained from total x-ray or neutron scattering experiments, using the reciprocal space structure factor and/or the real space pair distribution function (PDF). Additional data might be included from extended x-ray absorption fine structure spectroscopy (EXAFS), Bragg peak intensities or indeed any measured data that can be calculated from a three-dimensional atomistic model. It is this use of total scattering (diffuse and Bragg), rather than just the Bragg peak intensities more commonly used for crystalline structure analysis, which enables RMC modelling to probe the often important deviations from the average crystal structure, to probe the structures of poorly crystalline or nanocrystalline materials, and the local structures of non-crystalline materials where only diffuse scattering is observed. This flexibility across various condensed matter structure-types has made the RMC method very attractive in a wide range of disciplines, as borne out in the contents of this special issue. It is however important to point out that since the method is akin to a structural refinement method (albeit with some inbuilt Monte Carlo 'randomness'), high-quality data are needed to yield the best structural models. In this regard it is particularly pleasing to see the continued (planned and actual) growth in diffractometers at neutron and synchrotron x-ray facilities that have been designed with total scattering in mind. Since the previous RMC workshop in 2009 [2] (and indeed the earlier workshops in 2006 [3] and 2003 [4]) there have been several developments in the technique and in the range of its application. It is good to see that the program RMCProfile [5] is now being used as a refinement tool in a wide range of crystalline materials spanning molecular crystals, proton conductors and spinels. This is one of the growth areas in recent years; crystalline supercell models are constructed by replicating the average unit cell contents and the atoms are then relaxed using the RMC method to fit the data, while maintaining appropriate atom connectivity. This refined supercell is then investigated to determine how the average structure has changed to accommodate defects, local distortions, molecular rotations etc. There have also been technical developments to enhance the total scattering and RMC method as seen in the papers on new ways to process x-ray total scattering data, on the analysis of molecular liquid structures using a new version of RMC_POT [6], the program SPINVERT for determining disordered magnetic structures from magnetic diffuse scattering and papers concerned with other algorithmic improvements. These are all in addition to some excellent papers on the structures of amorphous materials, liquids and solutions using more established RMC methods. Many of the papers have been written by RMC workshop participants. We are pleased that the workshop enabled students and other young researchers to gain a deeper understanding of the RMC method at the start of their scientific careers. It is our hope that the collection of research papers within this special issue will communicate the vibrancy of this field to the wider scientific community by showing the current 'state of the art' research opportunities using the RMC method. Furthermore, by including a small number of papers from colleagues working on similar disordered problems with complementary analysis techniques, we hope that the RMC method may be placed in a broader scientific context. Acknowledgments We are very grateful to IOP Publishing for their willingness to publish this collection of papers which celebrates the 24th anniversary of the first RMC publication in a special issue of Journal of Physics: Condensed Matter and for their co-ordination during the refereeing process. References [1] McGreevy R L 2001 J. Phys.: Condens. Matter 13 R877 [2] Keen D A and Pusztai L (ed) 2010 J. Phys.: Condens. Matter 22 (Special issue on the first 21 years of reverse Monte Carlo modelling) [3] Keen D A and Pusztai L (ed) 2007 J. Phys.: Condens. Matter 19 (Special issue on the first eighteen years of reverse Monte Carlo modelling) [4] Keen D A, Pusztai L and Dove M T (ed) 2005 J. Phys.: Condens. Matter 17 (Special issue on the first fifteen years of reverse Monte Carlo modelling) [5] Tucker M G, Keen D A, Dove M T, Goodwin A L and Hui Q 2007 J. Phys.: Condens. Matter 19 335218 [6] Gereben O and Pusztai L 2012 J. Comput. Chem. 33 2285 Reverse Monte Carlo modelling The First 24 Years of Reverse Monte Carlo Modelling, Budapest, Hungary, 20-22 September 2012David A Keen and László Pusztai Conformational analysis of bis(methylthio)methane and diethyl sulfide molecules in the liquid phase: reverse Monte Carlo studies using classical interatomic potential functionsOrsolya Gereben and László Pusztai Towards a robust ad hoc data correction approach that yields reliable atomic pair distribution functions from powder diffraction dataSimon J L Billinge and Christopher L Farrow The atomic scale structure of CXV carbon: wide-angle x-ray scattering and modeling studiesL Hawelek, A Brodka, J C Dore, V Honkimaki and A Burian Local structure correlations in plastic cyclohexane—a reverse Monte Carlo studyNicholas P Funnell, Martin T Dove, Andrew L Goodwin, Simon Parsons and Matthew G Tucker Neutron powder diffraction and molecular dynamics study of superionic SrBr2S Hull, S T Norberg, S G Eriksson and C E Mohn Atomic order and cluster energetics of a 17 wt% Si-based glass versus the liquid phaseG S E Antipas, L Temleitner, K Karalis, L Pusztai and A Xenidis Total scattering analysis of cation coordination and vacancy pair distribution in Yb substituted Ō-Bi2O3G S E Antipas, L Temleitner, K Karalis, L Pusztai and A Xenidis Modification of the sampling algorithm for reverse Monte Carlo modeling with an insufficient data setSatoshi Sato and Kenji Maruyama The origin of diffuse scattering in crystalline carbon tetraiodideTemleitner and L Pusztai Silver environment and covalent network rearrangement in GeS3-Ag glassesL Rátkai, I Kaban, T Wágner, J Kolár, S Valková, Iva Voleská, B Beuneu and P Jóvári Reverse Monte Carlo study of spherical sample under non-periodic boundary conditions: the structure of Ru nanoparticles based on x-ray diffraction dataOrsolya Gereben and Valeri Petkov Total neutron scattering investigation of the structure of a cobalt gallium oxide spinel prepared by solvothermal oxidation of gallium metalHelen Y Playford, Alex C Hannon, Matthew G Tucker, Martin R Lees and Richard I Walton The structure of water in solutions containing di- and trivalent cations by empirical potential structure refinementDaniel T Bowron and Sofia Díaz Moreno The proton conducting electrolyte BaTi0.5In0.5O2.75: determination of the deuteron site and its local environmentStefan T Norberg, Seikh M H Rahman, Stephen Hull, Christopher S Knee and Sten G Eriksson Acidic properties of aqueous phosphoric acid solutions: a microscopic viewI Harsányi, L Pusztai, P Jóvári and B Beuneu Comparison of the atomic level structure of the plastic crystalline and liquid phases of CBr2Cl2: neutron diffraction and reverse Monte Carlo modellingSzilvia Pothoczki1, László Temleitner, Luis Carlos Pardo, Gabriel Julio Cuello, Muriel Rovira-Esteva and Josep Lluis Tamarit Insights into the determination of molecular structure from diffraction data using a Bayesian algorithmA Henao, M Rovira-Esteva, A Vispa, J Ll Tamarit, E Guardia and L C Pardo Nanostructure determination from the pair distribution function: a parametric study of the INVERT approachMatthew J Cliffe and Andrew L Goodwin Empirical potential structure refinement of semi-crystalline polymer systems: polytetrafluoroethylene and polychlorotrifluoroethyleneA K Soper, K Page and A Llobet spinvert: a program for refinement of paramagnetic diffuse scattering dataJoseph A M Paddison, J Ross Stewart and Andrew L Goodwin Inter-molecular correlations in liquid Se2Br2Hironori Shimakura, Yukinobu Kawakita, Koji Ohara, László Pusztai, Yuiko Wakisaka and Shin'ichi Takeda RMCgui: a new interface for the workflow associated with running Reverse Monte Carlo simulationsMartin T Dove and Gary Rigg

Mesoporous inverse opal TiO2 film as light scattering layer for dye-sensitized solar cell.

PubMed

Jin, Mingshi; Kim, Sung Soo; Yoon, Minyoung; Li, Zhenghua; Lee, Yoon Yun; Kim, Ji Man

2012-01-01

The light harvesting efficiency of dye-sensitized solar cells was enhanced by using a scattering layer. Such as sphere type TiO2, inverse photonic crystal TiO2, hollow spherical TiO2. Among these materials, the TiO2 with inverse photonic crystal (IPC) structure, synthesized by self-assembly using spherical templates, has attracted much attention due to their photonic crystal characteristics and light scattering effects. However, when applied in the DSSCs, the surface area of IPC is very low that caused insufficient adsorption amount of dye molecules. In the present work, a scattering layer with mesoporous inverse photonic crystal (MIPC) TiO2 film was fabricated by the sol-gel reactions with surfactant-assisted sol-gel method using poly(methyl methacrylate) as the template and titanium (IV) isopropoxide as the TiO2 precursor. After removing the PMMA and surfactant, a highly ordered macroporous structure with mesopores were successfully obtained. The surface area and total pore volume of the MIPC were 82 m2/g and 0.31 cm3/g, respectively, which is much larger than those of the IPC. The DSSCs with the scattering layer of MIPC film exhibited 18 and 10% higher photo-conversion efficiency than those of cells only with a nano-crystalline TiO2 film and with scattering layer of IPC film. From UV-visible spectra of dye solutions, the MIPC film showed a higher amount of absorbed dye molecules than those of the reference and IPC films. Accordingly, an increase in the photo-current density through abundant adsorption of the dye, coupled with inherent light scattering ability can improve overall photo-conversion efficiency.

Small-angle x-ray scattering in amorphous silicon: A computational study

NASA Astrophysics Data System (ADS)

Paudel, Durga; Atta-Fynn, Raymond; Drabold, David A.; Elliott, Stephen R.; Biswas, Parthapratim

2018-05-01

We present a computational study of small-angle x-ray scattering (SAXS) in amorphous silicon (a -Si) with particular emphasis on the morphology and microstructure of voids. The relationship between the scattering intensity in SAXS and the three-dimensional structure of nanoscale inhomogeneities or voids is addressed by generating large high-quality a -Si networks with 0.1%-0.3% volume concentration of voids, as observed in experiments using SAXS and positron annihilation spectroscopy. A systematic study of the variation of the scattering intensity in the small-angle scattering region with the size, shape, number density, and the spatial distribution of the voids in the networks is presented. Our results suggest that the scattering intensity in the small-angle region is particularly sensitive to the size and the total volume fraction of the voids, but the effect of the geometry or shape of the voids is less pronounced in the intensity profiles. A comparison of the average size of the voids obtained from the simulated values of the intensity, using the Guinier approximation and Kratky plots, with that of the same from the spatial distribution of the atoms in the vicinity of void surfaces is presented.

On the road to metallic nanoparticles by rational design: bridging the gap between atomic-level theoretical modeling and reality by total scattering experiments.

PubMed

Prasai, Binay; Wilson, A R; Wiley, B J; Ren, Y; Petkov, Valeri

2015-11-14

The extent to which current theoretical modeling alone can reveal real-world metallic nanoparticles (NPs) at the atomic level was scrutinized and demonstrated to be insufficient and how it can be improved by using a pragmatic approach involving straightforward experiments is shown. In particular, 4 to 6 nm in size silica supported Au(100-x)Pd(x) (x = 30, 46 and 58) explored for catalytic applications is characterized structurally by total scattering experiments including high-energy synchrotron X-ray diffraction (XRD) coupled to atomic pair distribution function (PDF) analysis. Atomic-level models for the NPs are built by molecular dynamics simulations based on the archetypal for current theoretical modeling Sutton-Chen (SC) method. Models are matched against independent experimental data and are demonstrated to be inaccurate unless their theoretical foundation, i.e. the SC method, is supplemented with basic yet crucial information on the length and strength of metal-to-metal bonds and, when necessary, structural disorder in the actual NPs studied. An atomic PDF-based approach for accessing such information and implementing it in theoretical modeling is put forward. For completeness, the approach is concisely demonstrated on 15 nm in size water-dispersed Au particles explored for bio-medical applications and 16 nm in size hexane-dispersed Fe48Pd52 particles explored for magnetic applications as well. It is argued that when "tuned up" against experiments relevant to metals and alloys confined to nanoscale dimensions, such as total scattering coupled to atomic PDF analysis, rather than by mere intuition and/or against data for the respective solids, atomic-level theoretical modeling can provide a sound understanding of the synthesis-structure-property relationships in real-world metallic NPs. Ultimately this can help advance nanoscience and technology a step closer to producing metallic NPs by rational design.

Accurate modelling of anisotropic effects in austenitic stainless steel welds

NASA Astrophysics Data System (ADS)

Nowers, O. D.; Duxbury, D. J.; Drinkwater, B. W.

2014-02-01

The ultrasonic inspection of austenitic steel welds is challenging due to the formation of highly anisotropic and heterogeneous structures post-welding. This is due to the intrinsic crystallographic structure of austenitic steel, driving the formation of dendritic grain structures on cooling. The anisotropy is manifested as both a `steering' of the ultrasonic beam and the back-scatter of energy due to the macroscopic granular structure of the weld. However, the quantitative effects and relative impacts of these phenomena are not well-understood. A semi-analytical simulation framework has been developed to allow the study of anisotropic effects in austenitic stainless steel welds. Frequency-dependent scatterers are allocated to a weld-region to approximate the coarse grain-structures observed within austenitic welds and imaged using a simulated array. The simulated A-scans are compared against an equivalent experimental setup demonstrating excellent agreement of the Signal to Noise (S/N) ratio. Comparison of images of the simulated and experimental data generated using the Total Focusing Method (TFM) indicate a prominent layered effect in the simulated data. A superior grain allocation routine is required to improve upon this.

Characterizing the Atomic Structure in Low Concentrations of Weakly Ordered, Weakly Scattering Materials Using the Pair Distribution Function

NASA Astrophysics Data System (ADS)

Terban, Maxwell W.

Nanoscale structural characterization is critical to understanding the physical underpinnings of properties and behavior in materials with technological applications. The work herein shows how the pair distribution function technique can be applied to x-ray total scattering data for material systems which weakly scatter x-rays, a typically difficult task due to the poor signal-to-noise obtained from the structures of interest. Characterization and structural modeling are demonstrated for a variety of molecular and porous systems, along with the detection and characterization of disordered, minority phases and components. In particular, reliable detection and quantitative analysis are demonstrated for nanocrystals of an active pharmaceutical ingredient suspended in dilute solution down to a concentration of 0.25 wt. %, giving a practical limit of detection for ordered nanoscale phases within a disordered matrix. Further work shows that minority nanocrystalline phases can be detected, fingerprinted, and modeled for mixed crystalline and amorphous systems of small molecules and polymers. The crystallization of amorphous lactose is followed under accelerated aging conditions. Melt quenching is shown to produce a different local structure than spray drying or freeze drying, along with increased resistance to crystallization. The initial phases which form in the spray dried formulation are identified as a mixture of polymorphs different from the final alpha-lactose monohydrate form. Hard domain formation in thermoplastic polyurethanes is also characterized as a function of methylene diphenyl diisocyanate and butanediol component ratio, showing that distinct and different hard phase structures can form and are solved by indexing with structures derived from molecular dynamics relaxation. In both cases, phase fractions can be quantified in the mixed crystalline and amorphous systems by fitting with both standards or structure models. Later chapters, demonstrate pair distribution characterization of particle incorporation, structure, and synthesis of nanoporous materials. Nanoparticle size distributions are extracted from platinum nanoparticles nucleating within a zeolite matrix through structural modeling, and validated by transmission electron microscope studies. The structure of zirconium phosphonate-phosphate unconventional metal organic framework is determined to consist of turbostratically disordered nanocrystalline layers of Zr-phenylphosphonate, and the local environment of terbium intercalated between the layers is found to resemble the local environment in scheelite-type terbium phosphate. Finally, the early stages of reaction between aqueous zinc dinitrate hexahydrate and methanolic 2-methylimidazole are characterized using in situ total scattering measurements, showing that secondary building units of tetrahedrally coordinated by 2-methylimidazole initially form upon reaction. Overall, the methodologies are developed and applied toward phase detection, identification, solution, and behavior in pharmaceuticals, polymers, and nanoporous materials along with advice for carrying out experiments and analysis on such materials such that they can be extended to other similar systems.

Study of scattering from turbulence structure generated by propeller with FLUENT

NASA Astrophysics Data System (ADS)

Luo, Gen

2017-07-01

In this article, the turbulence structure generated by a propeller is simulated with the computational fluid dynamics (CFD) software FLUENT. With the method of moments, the backscattering radar cross sections (RCS) of the turbulence structure are calculated. The scattering results can reflect the turbulent intensity of the wave profiles. For the wake turbulence with low rotating speed, the scattering intensity of HH polarization is much smaller than VV polarization at large incident angles. When the turbulence becomes stronger with high rotating speed, the scattering intensity of HH polarization also becomes stronger at large incident angles, which is almost the same with VV polarization. And also, the bistatic scattering of the turbulence structure has the similar situation. These scattering results indicate that the turbulence structure can also give rise to an anomaly compared with traditional sea surface. The study of electromagnetic (EM) scattering from turbulence structure generated by the propeller can help in better understanding of the scattering from different kinds of waves and provide more bases to explain the anomalies of EM scattering from sea surfaces.

Improved Optics For Quasi-Elastic Light Scattering

NASA Technical Reports Server (NTRS)

Cheung, Harry Michael

1995-01-01

Improved optical train devised for use in light-scattering measurements of quasi-elastic light scattering (QELS) and laser spectroscopy. Measurements performed on solutions, microemulsions, micellular solutions, and colloidal dispersions. Simultaneous measurements of total intensity and fluctuations in total intensity of light scattered from sample at various angles provides data used, in conjunction with diffusion coefficients, to compute sizes of particles in sample.

Piezoelectric T-matrix approach and multiple scattering of electroacoustic waves in thin plates

NASA Astrophysics Data System (ADS)

Darabi, Amir; Ruzzene, Massimo; Leamy, Michael J.

2017-12-01

Metamaterial-enhanced harvesting (MEH) of wave energy in thin plates and other structures has appeared recently for powering small sensors and devices. To support continued MEH concept development, this paper proposes a fully coupled T-matrix formulation for analyzing scattering of incident wave energy from a piezoelectric patch attached to a thin plate. More generally, the T-matrix represents an input-output relationship between incident and reflected waves from inclusions in a host layer, and is introduced herein for a piezoelectric patch connected to an external circuit. The utility of a T-matrix formalism is most apparent in scenarios employing multiple piezoelectric harvesters, where it can be re-used with other T-matrices (such as those previously formulated for rigid, void, and elastic inclusions) in a multiple scattering context to compute the total wavefield and other response quantities, such as harvested power. Following development of the requisite T-matrix, harvesting in an example funnel-shaped metamaterial waveguide structure is predicted using the multiple scattering approach. Enhanced wave energy harvesting predictions are verified through comparisons to experimental results of a funnel-shaped waveguide formed by placing rigid aluminum inclusions in, and multiple piezoelectric harvesters on, a Lexan plate. Good agreement with predicted response quantities is noted.

The stationary points and structure of high-energy scattering amplitude

NASA Astrophysics Data System (ADS)

Samokhin, A. P.; Petrov, V. A.

2018-06-01

The ISR and the 7 TeV LHC data indicate that the differential cross-section of elastic proton-proton scattering remains almost energy-independent at the transferred momentum t ≈ - 0.21GeV2 at the level of ≈ 7.5 mb /GeV2. This property of dσ / dt (the "first" stationary point) appears due to the correlated growth of the total cross-section and the local slope parameter and can be expressed as a relation between the latter quantities. We anticipate that this property will be true up to 13 TeV. This enables us to normalize the preliminary TOTEM data for dσ / dt at 13 TeV and 0.05 < | t | < 3.4GeV2 and predict the values of dσ / dt at this energy. These data give an evidence of the second stationary point at t ≈ - 2.3GeV2 at the level of ≈ 33 nb /GeV2. The energy evolution of dσ / dt looks as if the high energy elastic scattering amplitude is a sum of two similar terms. We argue that the existence of the two stationary points and the two-component structure of the high energy elastic scattering amplitude are general properties for all elastic processes.

Surface-Enhanced Raman Spectroscopy of Carbon Nanomembranes from Aromatic Self-Assembled Monolayers.

PubMed

Zhang, Xianghui; Mainka, Marcel; Paneff, Florian; Hachmeister, Henning; Beyer, André; Gölzhäuser, Armin; Huser, Thomas

2018-02-27

Surface-enhanced Raman scattering spectroscopy (SERS) was employed to investigate the formation of self-assembled monolayers (SAMs) of biphenylthiol, 4'-nitro-1,1'-biphenyl-4-thiol, and p-terphenylthiol on Au surfaces and their structural transformations into carbon nanomembranes (CNMs) induced by electron irradiation. The high sensitivity of SERS allows us to identify two types of Raman scattering in electron-irradiated SAMs: (1) Raman-active sites exhibit similar bands as those of pristine SAMs in the fingerprint spectral region, but with indications of an amorphization process and (2) Raman-inactive sites show almost no Raman-scattering signals, except a very weak and broad D band, indicating a lack of structural order but for the presence of graphitic domains. Statistical analysis showed that the ratio of the number of Raman-active sites to the total number of measurement sites decreases exponentially with increasing the electron irradiation dose. The maximum degree of cross-linking ranged from 97 to 99% for the three SAMs. Proof-of-concept experiments were conducted to demonstrate potential applications of Raman-inactive CNMs as a supporting membrane for Raman analysis.

Low-Energy Elastic Electron Scattering by Atomic Oxygen

NASA Technical Reports Server (NTRS)

Zatsarinny O.; Bartschat, K.; Tayal, S. S.

2006-01-01

The B-spline R-matrix method is employed to investigate the low-energy elastic electron scattering by atomic oxygen. Flexible non-orthogonal sets of radial functions are used to construct the target description and to represent the scattering functions. A detailed investigation regarding the dependence of the predicted partial and total cross sections on the scattering model and the accuracy of the target description is presented. The predicted angle-integrated elastic cross sections are in good agreement with experiment, whereas significant discrepancies are found in the angle-differential elastic cross sections near the forward direction. .The near-threshold results are found to strongly depend on the treatment of inner-core short-range correlation effects in the target description, as well as on a proper account of the target polarizability. A sharp increase in the elastic cross sections below 1 eV found in some earlier calculations is judged to be an artifact of an unbalanced description of correlation in the N-electron target structure and the (N+l)-electron-collision problems.

Nanoscale array structures suitable for surface enhanced raman scattering and methods related thereto

DOEpatents

Bond, Tiziana C.; Miles, Robin; Davidson, James C.; Liu, Gang Logan

2014-07-22

Methods for fabricating nanoscale array structures suitable for surface enhanced Raman scattering, structures thus obtained, and methods to characterize the nanoscale array structures suitable for surface enhanced Raman scattering. Nanoscale array structures may comprise nanotrees, nanorecesses and tapered nanopillars.

Nanoscale array structures suitable for surface enhanced raman scattering and methods related thereto

DOEpatents

Bond, Tiziana C.; Miles, Robin; Davidson, James C.; Liu, Gang Logan

2015-07-14

Methods for fabricating nanoscale array structures suitable for surface enhanced Raman scattering, structures thus obtained, and methods to characterize the nanoscale array structures suitable for surface enhanced Raman scattering. Nanoscale array structures may comprise nanotrees, nanorecesses and tapered nanopillars.

Nanoscale array structures suitable for surface enhanced raman scattering and methods related thereto

DOEpatents

Bond, Tiziana C; Miles, Robin; Davidson, James; Liu, Gang Logan

2015-11-03

Methods for fabricating nanoscale array structures suitable for surface enhanced Raman scattering, structures thus obtained, and methods to characterize the nanoscale array structures suitable for surface enhanced Raman scattering. Nanoscale array structures may comprise nanotrees, nanorecesses and tapered nanopillars.

Thermal defect annealing of swift heavy ion irradiated ThO 2

DOE PAGES

Palomares, Raul I.; Tracy, Cameron L.; Neuefeind, Joerg; ...

2017-05-19

Neutron total scattering and Raman spectroscopy were used to characterize the structural recovery of irradiated polycrystalline ThO 2 (2.2 GeV Au, = 1 x 10 13 ions/cm 2) during isochronal annealing. Here, neutron diffraction patterns showed that the Bragg signal-to-noise ratio increases and the unit cell parameter decreases as a function of isochronal annealing temperature, with the latter reaching its pre-irradiation value by 750 °C. Diffuse neutron scattering and Raman spectroscopy measurements indicate that an isochronal annealing event occurs between 275$-$425 °C. This feature is attributed to the annihilation of oxygen point defects and small oxygen defect clusters.

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

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

Noh, Heeso; Liew, Seng Fatt; Saranathan, Vinodkumar

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 broadermore » 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.« less

Determining the Size of Pores in a Partially Transparent Ceramics from Total-Reflection Spectra

NASA Astrophysics Data System (ADS)

Mironov, R. A.; Zabezhailov, M. O.; Georgiu, I. F.; Cherepanov, V. V.; Rusin, M. Yu.

2018-03-01

A technique is proposed for determining the pore-size distribution based on measuring the dependence of total reflectance in the domain of partial transparency of a material. An assumption about equality of scattering-coefficient spectra determined by solving the inverse radiation transfer problem and by theoretical calculation with the Mie theory is used. The technique is applied to studying a quartz ceramics. The poresize distribution is also determined using mercury and gas porosimetry. All three methods are shown to produce close results for pores with diameters of <180 nm, which occupy 90% of the void volume. In the domain of pore dimensions of >180 nm, the methods show differences that might be related to both specific procedural features and the structural properties of ceramics. The spectral-scattering method has a number of advantages over traditional porosimetry, and it can be viewed as a routine industrial technique.

Calculations of Total Classical Cross Sections for a Central Field

NASA Astrophysics Data System (ADS)

Tsyganov, D. L.

2018-07-01

In order to find the total collision cross-section a direct method of the effective potential (EPM) in the framework of classical mechanics was proposed. EPM allows to over come both the direct scattering problem (calculation of the total collision cross-section) and the inverse scattering problem (reconstruction of the scattering potential) quickly and effectively. A general analytical expression was proposed for the generalized Lennard-Jones potentials: (6-3), (9-3), (12-3), (6-4), (8-4), (12-4), (8-6), (12-6), (18-6). The values for the scattering potential of the total cross section for pairs such as electron-N2, N-N, and O-O2 were obtained in a good approximation.

Time-dependent local and average structural evolution of δ-phase 239Pu-Ga alloys

DOE PAGES

Smith, Alice I.; Page, Katharine L.; Siewenie, Joan E.; ...

2016-08-05

Here, plutonium metal is a very unusual element, exhibiting six allotropes at ambient pressure, between room temperature and its melting point, a complicated phase diagram, and a complex electronic structure. Many phases of plutonium metal are unstable with changes in temperature, pressure, chemical additions, or time. This strongly affects structure and properties, and becomes of high importance, particularly when considering effects on structural integrity over long periods of time [1]. This paper presents a time-dependent neutron total scattering study of the local and average structure of naturally aging δ-phase 239Pu-Ga alloys, together with preliminary results on neutron tomography characterization.

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

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

Schoenborn, B P

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.

Nanoscale structure in AgSbTe2 determined by diffuse elastic neutron scattering

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

Specht, Eliot D; Ma, Jie; Delaire, Olivier A

2015-01-01

Diffuse elastic neutron scattering measurements confirm that AgSbTe2 has a hierarchical structure, with defects on length scales from nanometers to microns. While scattering from mesoscale structure is consistent with previously-proposed structures in which Ag and Sb order on a NaCl lattice, more diffuse scattering from nanoscale structure suggests a structural rearrangement in which hexagonal layers form a combination of (ABC), (ABA), and (AAB) stacking sequences. The AgCrSe2 structure is the best-fitting model for the local atomic arrangements.

Evaluation of electron mobility in InSb quantum wells by means of percentage-impact

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

Mishima, T. D.; Edirisooriya, M.; Santos, M. B.

2014-05-15

In order to quantitatively analyze the contribution of each scattering factor toward the total carrier mobility, we use a new convenient figure-of-merit, named a percentage impact. The mobility limit due to a scattering factor, which is widely used to summarize a scattering analysis, has its own advantage. However, a mobility limit is not quite appropriate for the above purpose. A comprehensive understanding of the difference in contribution among many scattering factors toward the total carrier mobility can be obtained by evaluating percentage impacts of scattering factors, which can be straightforwardly calculated from their mobility limits and the total mobility. Ourmore » percentage impact analysis shows that threading dislocation is one of the dominant scattering factors for the electron transport in InSb quantum wells at room temperature.« less

Scattering in discrete random media with implications to propagation through rain. Ph.D. Thesis George Washingtion Univ., Washington, D.C.

NASA Technical Reports Server (NTRS)

Ippolito, L. J., Jr.

1977-01-01

The multiple scattering effects on wave propagation through a volume of discrete scatterers were investigated. The mean field and intensity for a distribution of scatterers was developed using a discrete random media formulation, and second order series expansions for the mean field and total intensity derived for one-dimensional and three-dimensional configurations. The volume distribution results were shown to proceed directly from the one-dimensional results. The multiple scattering intensity expansion was compared to the classical single scattering intensity and the classical result was found to represent only the first three terms in the total intensity expansion. The Foldy approximation to the mean field was applied to develop the coherent intensity, and was found to exactly represent all coherent terms of the total intensity.

Structure of Mg2SiO4 glass up to 140 GPa

NASA Astrophysics Data System (ADS)

Prescher, C.; Prakapenka, V.; Wang, Y.; Skinner, L. B.

2014-12-01

The physical properties of melts at temperature and pressure conditions of the Earth's mantle have a fundamental influence on the chemical and thermal evolution of the Earth. However, direct investigations of melt structures at these conditions are experimentally very difficult or even impossible with current capabilities. In order to still be able to obtain an estimate of the structural behavior of melts at high pressures and temperatures, amorphous materials have been widely used as analogue materials. In particular the investigation of sound wave velocities of amorphous SiO2 and MgSiO3 as analogues for silicate melts indicate structural changes at about ~30-40 GPa and ~130-140 GPa [1]. The transition pressures are lower for MgSiO3 than for SiO2 indicating that these transitions are affected by the degree of polymerization of the SiO2 network of the glasses. Nevertheless, these measurements only give a hint about the occurrence of structural transitions but lack information on the actual structural changes accompanied by the sound wave velocity discontinuities. The pressure of the second structural transition at ~130-140 GPa is of vital importance for geophysics. If it causes silicate melts to become denser than the surrounding solid material, it would result in negatively buoyant melts close to the core-mantle boundary, which could be a major factor affecting the chemical stratification of the Earth's mantle during an early magma ocean after the moon forming impact. In order to resolve the structural transition and estimate the effect of a different degree of polymerization further, we studied the structural behavior of Mg2SiO4 glass up to 140 GPa using X-ray total scattering and pair distribution function analysis. The measurements were performed at the GSECARS 13-IDD beamline at the APS employing the newly developed multichannel collimator (MCC) setup. The MCC effectively removes unwanted Compton scattering of the diamond anvils and enables easy extraction of X-ray total scattering intensity up to the highest pressures achieved. We will present data on structural changes and densification mechanisms of Mg2SiO4glass at high pressures, and elaborate on the potential of negatively buoyant melts at the core-mantle boundary. [1] Murakami et al., 2011. Proc. Natl. Acad. Sci. U.S.A. 108, 17286-9.

Structure of biodiesel based bicontinuous microemulsions for environmentally compatible decontamination: A small angle neutron scattering and freeze fracture electron microscopy study.

PubMed

Wellert, S; Karg, M; Imhof, H; Steppin, A; Altmann, H-J; Dolle, M; Richardt, A; Tiersch, B; Koetz, J; Lapp, A; Hellweg, T

2008-09-01

Most toxic industrial chemicals and chemical warfare agents are hydrophobic and can only be solubilized in organic solvents. However, most reagents employed for the degradation of these toxic compounds can only be dissolved in water. Hence, microemulsions are auspicious media for the decontamination of a variety of chemical warfare agents and pesticides. They allow for the solubilization of both the lipophilic toxics and the hydrophilic reagent. Alkyl oligoglucosides and plant derived solvents like rapeseed methyl ester enable the formulation of environmentally compatible bicontinuous microemulsions. In the present article the phase behavior of such a microemulsion is studied and the bicontinuous phase is identified. Small angle neutron scattering (SANS) and freeze fracture electron microscopy (FFEM) measurements are used to characterize the structure of the bicontinuous phase and allow for an estimation of the total internal interface. Moreover, also the influence of the co-surfactant (1-pentanol) on the structural parameters of the bicontinuous phase is studied with SANS.

Fast, label-free super-resolution live-cell imaging using rotating coherent scattering (ROCS) microscopy

NASA Astrophysics Data System (ADS)

Jünger, Felix; Olshausen, Philipp V.; Rohrbach, Alexander

2016-07-01

Living cells are highly dynamic systems with cellular structures being often below the optical resolution limit. Super-resolution microscopes, usually based on fluorescence cell labelling, are usually too slow to resolve small, dynamic structures. We present a label-free microscopy technique, which can generate thousands of super-resolved, high contrast images at a frame rate of 100 Hertz and without any post-processing. The technique is based on oblique sample illumination with coherent light, an approach believed to be not applicable in life sciences because of too many interference artefacts. However, by circulating an incident laser beam by 360° during one image acquisition, relevant image information is amplified. By combining total internal reflection illumination with dark-field detection, structures as small as 150 nm become separable through local destructive interferences. The technique images local changes in refractive index through scattered laser light and is applied to living mouse macrophages and helical bacteria revealing unexpected dynamic processes.

Fast, label-free super-resolution live-cell imaging using rotating coherent scattering (ROCS) microscopy

PubMed Central

Jünger, Felix; Olshausen, Philipp v.; Rohrbach, Alexander

2016-01-01

Living cells are highly dynamic systems with cellular structures being often below the optical resolution limit. Super-resolution microscopes, usually based on fluorescence cell labelling, are usually too slow to resolve small, dynamic structures. We present a label-free microscopy technique, which can generate thousands of super-resolved, high contrast images at a frame rate of 100 Hertz and without any post-processing. The technique is based on oblique sample illumination with coherent light, an approach believed to be not applicable in life sciences because of too many interference artefacts. However, by circulating an incident laser beam by 360° during one image acquisition, relevant image information is amplified. By combining total internal reflection illumination with dark-field detection, structures as small as 150 nm become separable through local destructive interferences. The technique images local changes in refractive index through scattered laser light and is applied to living mouse macrophages and helical bacteria revealing unexpected dynamic processes. PMID:27465033

An Assessment of Binary Metallic Glasses: Correlations Between Structure, Glass Forming Ability and Stability (Preprint)

DTIC Science & Technology

2009-04-01

Cu, germanium and tellurium ," J. Mat. Sci., vol. 9, pp. 707-717, 1974. [29] A. Inoue, T. Zhang, K. Kita, and T. Masumoto, "Mechanical strengths...Toribuchi, K. Aoki, and T. Masumoto, "Formation of La-M- Cu (M=Ca, Sr or Ba) amorphous alloys and their oxidization and superconductivity," Trans. JIM...structure of Pd- Ge alloys glasses by pulsed neutron total scattering," presented at Proc. 4 th International Conference on Rapidly Quenched Metals

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

Singh, Suvam; Naghma, Rahla; Kaur, Jaspreet

The total and ionization cross sections for electron scattering by benzene, halobenzenes, toluene, aniline, and phenol are reported over a wide energy domain. The multi-scattering centre spherical complex optical potential method has been employed to find the total elastic and inelastic cross sections. The total ionization cross section is estimated from total inelastic cross section using the complex scattering potential-ionization contribution method. In the present article, the first theoretical calculations for electron impact total and ionization cross section have been performed for most of the targets having numerous practical applications. A reasonable agreement is obtained compared to existing experimental observationsmore » for all the targets reported here, especially for the total cross section.« less

Positron scattering from molecular hydrogen

NASA Astrophysics Data System (ADS)

Machacek, J. R.; Anderson, E. K.; Makochekanwa, C.; Buckman, S. J.; Sullivan, J. P.

2013-10-01

We present results for total and partial cross sections for positron scattering from H2. The total scattering and positronium formation cross sections are reported between 0.5 and 200 eV. Total quasielastic and inelastic scattering cross sections are reported for energies between the positronium formation threshold and 50 eV, with quasielastic differential scattering cross sections reported at 1, 3, 5, 7, and 10 eV. Our results are compared with previous work, both experimental and theoretical, with particular attention paid to the region below the positronium formation threshold, where there are apparent discrepancies in previous work. A discussion of possible reasons for discrepancies between this and previous work is presented, including a focus on known systematic effects in the experimental results.

A spectral geometric model for Compton single scatter in PET based on the single scatter simulation approximation

NASA Astrophysics Data System (ADS)

Kazantsev, I. G.; Olsen, U. L.; Poulsen, H. F.; Hansen, P. C.

2018-02-01

We investigate the idealized mathematical model of single scatter in PET for a detector system possessing excellent energy resolution. The model has the form of integral transforms estimating the distribution of photons undergoing a single Compton scattering with a certain angle. The total single scatter is interpreted as the volume integral over scatter points that constitute a rotation body with a football shape, while single scattering with a certain angle is evaluated as the surface integral over the boundary of the rotation body. The equations for total and sample single scatter calculations are derived using a single scatter simulation approximation. We show that the three-dimensional slice-by-slice filtered backprojection algorithm is applicable for scatter data inversion provided that the attenuation map is assumed to be constant. The results of the numerical experiments are presented.

Waveform tomography of crustal structure in the south San Francisco Bay region

USGS Publications Warehouse

Pollitz, F.F.; Fletcher, J.P.

2005-01-01

We utilize a scattering-based seismic tomography technique to constrain crustal tructure around the southern San Francisco Bay region (SFBR). This technique is based on coupled traveling wave scattering theory, which has usually been applied to the interpretation of surface waves in large regional-scale studies. Using fully three-dimensional kernels, this technique is here applied to observed P, S, and surface waves of intermediate period (3-4 s dominant period) observed following eight selected regional events. We use a total of 73 seismograms recorded by a U.S. Geological Survey short-period seismic array in the western Santa Clara Valley, the Berkeley Digital Seismic Network, and the Northern California Seismic Network. Modifications of observed waveforms due to scattering from crustal structure include (positive or negative) amplification, delay, and generation of coda waves. The derived crustal structure explains many of the observed signals which cannot be explained with a simple layered structure. There is sufficient sensitivity to both deep and shallow crustal structure that even with the few sources employed in the present study, we obtain shallow velocity structure which is reasonably consistent with previous P wave tomography results. We find a depth-dependent lateral velocity contrast across the San Andreas fault (SAF), with higher velocities southwest of the SAF in the shallow crust and higher velocities northeast of the SAF in the midcrust. The method does not have the resolution to identify very slow sediment velocities in the upper approximately 3 km since the tomographic models are smooth at a vertical scale of about 5 km. Copyright 2005 by the American Geophysical Union.

Elastic scattering of X-rays and gamma rays by 2S electrons in ions and neutral atoms

NASA Astrophysics Data System (ADS)

Costescu, A.; Spânulescu, S.; Stoica, C.

2012-08-01

The nonrelativistic limit of Rayleigh scattering amplitude on 2s electrons of neutral and partially ionized atoms is obtained by making use of the Green Function method. The result takes into consideration the retardation, relativistic kinematics and screening effects. The spurious singularities introduced by the retardation in a nonrelativistic approach are cancelled by the relativistic kinematics. For neutral and partially ionized atoms, a screening model is considered with an effective charge obtained by fitting the Hartree-Fock charge distribution with pure Coulombian wave functions corresponding to a central potential of a nucleus with Zeff as the atomic number. The total cross section of the photoeffect on the 2s electrons is also calculated from the imaginary part of the forward scattering amplitude by means of the optical theorem. The numerical results obtained are in a good agreement (10%) with the ones obtained by Kissell for the Rayleigh amplitude and by Scofield for the Photoeffect total cross section on the 2s electrons, for atoms with atomic number 18 ≤ Z ≤ 92 and photon energies ω≤αZm. (α=1/137,... is the fine structure constant, m is the electron mass).

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

PubMed

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

2013-06-14

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

Integral elastic, electronic-state, ionization, and total cross sections for electron scattering with furfural

NASA Astrophysics Data System (ADS)

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

2016-04-01

We report absolute experimental integral cross sections (ICSs) for electron impact excitation of bands of electronic-states in furfural, for incident electron energies in the range 20-250 eV. Wherever possible, those results are compared to corresponding excitation cross sections in the structurally similar species furan, as previously reported by da Costa et al. [Phys. Rev. A 85, 062706 (2012)] and Regeta and Allan [Phys. Rev. A 91, 012707 (2015)]. Generally, very good agreement is found. In addition, ICSs calculated with our independent atom model (IAM) with screening corrected additivity rule (SCAR) formalism, extended to account for interference (I) terms that arise due to the multi-centre nature of the scattering problem, are also reported. The sum of those ICSs gives the IAM-SCAR+I total cross section for electron-furfural scattering. Where possible, those calculated IAM-SCAR+I ICS results are compared against corresponding results from the present measurements with an acceptable level of accord being obtained. Similarly, but only for the band I and band II excited electronic states, we also present results from our Schwinger multichannel method with pseudopotentials calculations. Those results are found to be in good qualitative accord with the present experimental ICSs. Finally, with a view to assembling a complete cross section data base for furfural, some binary-encounter-Bethe-level total ionization cross sections for this collision system are presented.

Green's function multiple-scattering theory with a truncated basis set: An augmented-KKR formalism

NASA Astrophysics Data System (ADS)

Alam, Aftab; Khan, Suffian N.; Smirnov, A. V.; Nicholson, D. M.; Johnson, Duane D.

2014-11-01

The Korringa-Kohn-Rostoker (KKR) Green's function, multiple-scattering theory is an efficient site-centered, electronic-structure technique for addressing an assembly of N scatterers. Wave functions are expanded in a spherical-wave basis on each scattering center and indexed up to a maximum orbital and azimuthal number Lmax=(l,mmax), while scattering matrices, which determine spectral properties, are truncated at Lt r=(l,mt r) where phase shifts δl >ltr are negligible. Historically, Lmax is set equal to Lt r, which is correct for large enough Lmax but not computationally expedient; a better procedure retains higher-order (free-electron and single-site) contributions for Lmax>Lt r with δl >ltr set to zero [X.-G. Zhang and W. H. Butler, Phys. Rev. B 46, 7433 (1992), 10.1103/PhysRevB.46.7433]. We present a numerically efficient and accurate augmented-KKR Green's function formalism that solves the KKR equations by exact matrix inversion [R3 process with rank N (ltr+1 ) 2 ] and includes higher-L contributions via linear algebra [R2 process with rank N (lmax+1) 2 ]. The augmented-KKR approach yields properly normalized wave functions, numerically cheaper basis-set convergence, and a total charge density and electron count that agrees with Lloyd's formula. We apply our formalism to fcc Cu, bcc Fe, and L 1 0 CoPt and present the numerical results for accuracy and for the convergence of the total energies, Fermi energies, and magnetic moments versus Lmax for a given Lt r.

Green's function multiple-scattering theory with a truncated basis set: An augmented-KKR formalism

DOE PAGES

Alam, Aftab; Khan, Suffian N.; Smirnov, A. V.; ...

2014-11-04

Korringa-Kohn-Rostoker (KKR) Green's function, multiple-scattering theory is an ecient sitecentered, electronic-structure technique for addressing an assembly of N scatterers. Wave-functions are expanded in a spherical-wave basis on each scattering center and indexed up to a maximum orbital and azimuthal number L max = (l,m) max, while scattering matrices, which determine spectral properties, are truncated at L tr = (l,m) tr where phase shifts δl>l tr are negligible. Historically, L max is set equal to L tr, which is correct for large enough L max but not computationally expedient; a better procedure retains higher-order (free-electron and single-site) contributions for L maxmore » > L tr with δl>l tr set to zero [Zhang and Butler, Phys. Rev. B 46, 7433]. We present a numerically ecient and accurate augmented-KKR Green's function formalism that solves the KKR equations by exact matrix inversion [R 3 process with rank N(l tr + 1) 2] and includes higher-L contributions via linear algebra [R 2 process with rank N(l max +1) 2]. Augmented-KKR approach yields properly normalized wave-functions, numerically cheaper basis-set convergence, and a total charge density and electron count that agrees with Lloyd's formula. We apply our formalism to fcc Cu, bcc Fe and L1 0 CoPt, and present the numerical results for accuracy and for the convergence of the total energies, Fermi energies, and magnetic moments versus L max for a given L tr.« less

Analysis of dependent scattering mechanism in hard-sphere Yukawa random media

NASA Astrophysics Data System (ADS)

Wang, B. X.; Zhao, C. Y.

2018-06-01

The structural correlations in the microscopic structures of random media can induce the dependent scattering mechanism and thus influence the optical scattering properties. Based on our recent theory on the dependent scattering mechanism in random media composed of discrete dipolar scatterers [B. X. Wang and C. Y. Zhao, Phys. Rev. A 97, 023836 (2018)], in this paper, we study the hard-sphere Yukawa random media, in order to further elucidate the role of structural correlations in the dependent scattering mechanism and hence optical scattering properties. Here, we consider charged colloidal suspensions, whose effective pair interaction between colloids is described by a screened Coulomb (Yukawa) potential. By means of adding salt ions, the pair interaction between the charged particles can be flexibly tailored and therefore the structural correlations are modified. It is shown that this strategy can affect the optical properties significantly. For colloidal TiO2 suspensions, the modification of electric and magnetic dipole excitations induced by the structural correlations can substantially influence the optical scattering properties, in addition to the far-field interference effect described by the structure factor. However, this modification is only slightly altered by different salt concentrations and is mainly because of the packing-density-dependent screening effect. On the other hand, for low refractive index colloidal polystyrene suspensions, the dependent scattering mechanism mainly involves the far-field interference effect, and the effective exciting field amplitude for the electric dipole almost remains unchanged under different structural correlations. The present study has profound implications for understanding the role of structural correlations in the dependent scattering mechanism.

Production cross sections for Lee-Wick massive electromagnetic bosons and for spin-zero and spin-one W bosons at high energies.

NASA Technical Reports Server (NTRS)

Linsker, R.

1972-01-01

Production cross sections for three types of hypothetical particles are calculated in the presented paper. Several (Z, Z') cases were studied corresponding to elastic scattering off protons and neutrons (either free or embedded within a Fermi sea), coherent scattering off a nucleus, and inelastic scattering off a proton (in which case Z' denotes a nucleon resonance or hadronic system in the continuum). Detailed structure-function data are used to improve the accuracy of the inelastic scattering calculation. Results of calculations are given for beam energies between 50 and 10,000 GeV, and masses between 5 and 40 GeV for the massive Lee-Wick spin-1 boson. Cross sections were computed for resonant and semiweak processes. The production cross section of spin-zero weak intermediate bosons was found to be at least one order of magnitude smaller than for spin-1 weak bosons in nearly all regions of interest. The production cross section of spin-zero weak intermediate bosons for inelastic scattering off protons compares with that for elastic scattering in the regions of interest. In the case of massive spin-1 bosons and spin-1 weak intermediates, the main contribution to total production cross section off protons is elastic.

Approximating Reflectance and Transmittance of Vegetation Using Multiple Spectral Invariants

NASA Astrophysics Data System (ADS)

Mottus, M.

2011-12-01

Canopy spectral invariants, eigenvalues of the radiative transfer equation and photon recollision probability are some of the new theoretical tools that have been applied in remote sensing of vegetation and atmosphere. The theoretical approach based on spectral invariants, informally also referred to as the p-theory, owns its attractivity to several factors. Firstly, it provides a rapid and physically-based way of describing canopy scattering. Secondly, the p-theory aims at parameterizing canopy structure in reflectance models using a simple and intuitive concept which can be applied at various structural levels, from shoot to tree crown. The theory has already been applied at scales from the molecular level to forest stands. The most important shortcoming of the p-theory lies in its inability to predict the directionality of scattering. The theory is currently based on only one physical parameter, the photon recollision probability p. It is evident that one parameter cannot contain enough information to reasonably predict the observed complex reflectance patterns produced by natural vegetation canopies. Without estimating scattering directionality, however, the theory cannot be compared with even the most simple (and well-tested) two-stream vegetation reflectance models. In this study, we evaluate the possibility to use additional parameters to fit the measured reflectance and transmittance of a vegetation stand. As a first step, the parameters are applied to separate canopy scattering into reflectance and transmittance. New parameters are introduced following the general approach of eigenvector expansion. Thus, the new parameters are coined higher-order spectral invariants. Calculation of higher-order invariants is based on separating first-order scattering from total scattering. Thus, the method explicitly accounts for different view geometries with different fractions of visible sunlit canopy (e.g., hot-spot). It additionally allows to produce different irradiation levels on leaf surfaces for direct and diffuse incidence, thus (in theory) allowing more accurate calculation of potential photosynthesis rates. Similarly to the p-theory, the use of multiple spectral invariants facilitates easy parametrization of canopy structure and scaling between different structural levels (leaf-shoot-stand). Spectral invariant-based remote sensing approaches are well suited for relatively large pixels even when no detailed ground truth information is available. In a case study, the theory of multiple spectral invariants was applied to measured canopy scattering. Spectral reflectance and transmittance measurements were carried out in gray alder (Alnus incana) plantation at Tartu Observatory, Estonia, in August 2006. The equations produced by the theory of spectral invariants were fitted to measured radiation fluxes. Preliminary results indicate that quantities with invariant-like behavior may indeed be used to approximate canopy scattering directionality.

Measurement of Scattering Cross Section with a Spectrophotometer with an Integrating Sphere Detector

PubMed Central

Gaigalas, A. K.; Wang, Lili; Karpiak, V.; Zhang, Yu-Zhong; Choquette, Steven

2012-01-01

A commercial spectrometer with an integrating sphere (IS) detector was used to measure the scattering cross section of microspheres. Analysis of the measurement process showed that two measurements of the absorbance, one with the cuvette placed in the normal spectrometer position, and the second with the cuvette placed inside the IS, provided enough information to separate the contributions from scattering and molecular absorption. Measurements were carried out with microspheres with different diameters. The data was fitted with a model consisting of the difference of two terms. The first term was the Lorenz-Mie (L-M) cross section which modeled the total absorbance due to scattering. The second term was the integral of the L-M differential cross section over the detector acceptance angle. The second term estimated the amount of forward scattered light that entered the detector. A wavelength dependent index of refraction was used in the model. The agreement between the model and the data was good between 300 nm and 800 nm. The fits provided values for the microsphere diameter, the concentration, and the wavelength dependent index of refraction. For wavelengths less than 300 nm, the scattering cross section had significant spectral structure which was inversely related to the molecular absorption. This work addresses the measurement and interpretation of the scattering cross section for wavelengths between 300 nm and 800 nm. PMID:26900524

Coherent Microwave Scattering Model of Marsh Grass

NASA Astrophysics Data System (ADS)

Duan, Xueyang; Jones, Cathleen E.

2017-12-01

In this work, we developed an electromagnetic scattering model to analyze radar scattering from tall-grass-covered lands such as wetlands and marshes. The model adopts the generalized iterative extended boundary condition method (GIEBCM) algorithm, previously developed for buried cylindrical media such as vegetation roots, to simulate the scattering from the grass layer. The major challenge of applying GIEBCM to tall grass is the extremely time-consuming iteration among the large number of short subcylinders building up the grass. To overcome this issue, we extended the GIEBCM to multilevel GIEBCM, or M-GIEBCM, in which we first use GIEBCM to calculate a T matrix (transition matrix) database of "straws" with various lengths, thicknesses, orientations, curvatures, and dielectric properties; we then construct the grass with a group of straws from the database and apply GIEBCM again to calculate the T matrix of the overall grass scene. The grass T matrix is transferred to S matrix (scattering matrix) and combined with the ground S matrix, which is computed using the stabilized extended boundary condition method, to obtain the total scattering. In this article, we will demonstrate the capability of the model by simulating scattering from scenes with different grass densities, different grass structures, different grass water contents, and different ground moisture contents. This model will help with radar experiment design and image interpretation for marshland and wetland observations.

Measurement of Scattering Cross Section with a Spectrophotometer with an Integrating Sphere Detector.

PubMed

Gaigalas, A K; Wang, Lili; Karpiak, V; Zhang, Yu-Zhong; Choquette, Steven

2012-01-01

A commercial spectrometer with an integrating sphere (IS) detector was used to measure the scattering cross section of microspheres. Analysis of the measurement process showed that two measurements of the absorbance, one with the cuvette placed in the normal spectrometer position, and the second with the cuvette placed inside the IS, provided enough information to separate the contributions from scattering and molecular absorption. Measurements were carried out with microspheres with different diameters. The data was fitted with a model consisting of the difference of two terms. The first term was the Lorenz-Mie (L-M) cross section which modeled the total absorbance due to scattering. The second term was the integral of the L-M differential cross section over the detector acceptance angle. The second term estimated the amount of forward scattered light that entered the detector. A wavelength dependent index of refraction was used in the model. The agreement between the model and the data was good between 300 nm and 800 nm. The fits provided values for the microsphere diameter, the concentration, and the wavelength dependent index of refraction. For wavelengths less than 300 nm, the scattering cross section had significant spectral structure which was inversely related to the molecular absorption. This work addresses the measurement and interpretation of the scattering cross section for wavelengths between 300 nm and 800 nm.

Extreme Radio-wave Scattering Associated with Hot Stars

NASA Astrophysics Data System (ADS)

Walker, Mark A.; Tuntsov, Artem V.; Bignall, Hayley; Reynolds, Cormac; Bannister, Keith W.; Johnston, Simon; Stevens, Jamie; Ravi, Vikram

2017-07-01

We use data on extreme radio scintillation to demonstrate that this phenomenon is associated with hot stars in the solar neighborhood. The ionized gas responsible for the scattering is found at distances up to 1.75 {pc} from the host star, and on average must comprise ˜105 distinct structures per star. We detect azimuthal velocities of the plasma, relative to the host star, up to 9.7 {km} {{{s}}}-1, consistent with warm gas expanding at the sound speed. The circumstellar plasma structures that we infer are similar in several respects to the cometary knots seen in the Helix and in other planetary nebulae. There the ionized gas appears as a skin around tiny molecular clumps. Our analysis suggests that molecular clumps are ubiquitous circumstellar features, unrelated to the evolutionary state of the star. The total mass in such clumps is comparable to the stellar mass.

The Effect of Sintering Temperature on Linear and Nonlinear Optical Properties of YAG Nanoceramics

NASA Astrophysics Data System (ADS)

Gayvoronsky, V. Ya.; Popov, A. S.; Brodyn, M. S.; Uklein, A. V.; Multian, V. V.; Shul'zhenko, O. O.

Recent improvements in powder synthesis and ceramics sintering made it possible to fabricate high-quality optical materials. The work is devoted to the structural and optical characterization of the ({Y_3}{Al_5}{O_{12}}, YAG) ceramics prepared by high-pressure low-temperature technique. The structural properties of the studied ceramic samples was obtained by X-ray diffraction. The studies of the total and in-line transmittance as well as optical scattering indicatrices were performed in visible and NIR ranges. The scatterer size ˜200 nm was estimated by Rayleigh-Gans-Debye model. It was shown that the studied samples demonstrate high transparency at 1064 nm. The nonlinear optical characterization of the samples was done by the self-action of the picosecond laser pulses at 1064 nm. The measured nonlinear optical response (χ^(3)) ˜ 10^{-11} esu) showed significant dependence on the sintering temperature variation.

Radical re-appraisal of water structure in hydrophilic confinement.

PubMed

Soper, Alan K

2013-12-18

The structure of water confined in MCM41 silica cylindrical pores is studied to determine whether confined water is simply a version of the bulk liquid which can be substantially supercooled without crystallisation. A combination of total neutron scattering from the porous silica, both wet and dry, and computer simulation using a realistic model of the scattering substrate is used. The water in the pore is divided into three regions: core, interfacial and overlap. The average local densities of water in these simulations are found to be about 20% lower than bulk water density, while the density in the core region is below, but closer to, the bulk density. There is a decrease in both local and core densities when the temperature is lowered from 298 K to 210 K. The radical proposal is made here that water in hydrophilic confinement is under significant tension, around -100 MPa, inside the pore.

Broadband omnidirectional antireflection coating based on subwavelength surface Mie resonators

PubMed Central

Spinelli, P.; Verschuuren, M.A.; Polman, A.

2012-01-01

Reflection is a natural phenomenon that occurs when light passes the interface between materials with different refractive index. In many applications, such as solar cells or photodetectors, reflection is an unwanted loss process. Many ways to reduce reflection from a substrate have been investigated so far, including dielectric interference coatings, surface texturing, adiabatic index matching and scattering from plasmonic nanoparticles. Here we present an entirely new concept that suppresses the reflection of light from a silicon surface over a broad spectral range. A two-dimensional periodic array of subwavelength silicon nanocylinders designed to possess strongly substrate-coupled Mie resonances yields almost zero total reflectance over the entire spectral range from the ultraviolet to the near-infrared. This new antireflection concept relies on the strong forward scattering that occurs when a scattering structure is placed in close proximity to a high-index substrate with a high optical density of states. PMID:22353722

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

PubMed

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

2015-08-05

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

First-principles prediction of phononic thermal conductivity of silicene: A comparison with graphene

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

Gu, Xiaokun; Yang, Ronggui, E-mail: Ronggui.Yang@Colorado.Edu

2015-01-14

There has been great interest in two-dimensional materials, beyond graphene, for both fundamental sciences and technological applications. Silicene, a silicon counterpart of graphene, has been shown to possess some better electronic properties than graphene. However, its thermal transport properties have not been fully studied. In this paper, we apply the first-principles-based phonon Boltzmann transport equation to investigate the thermal conductivity of silicene as well as the phonon scattering mechanisms. Although both graphene and silicene are two-dimensional crystals with similar crystal structure, we find that phonon transport in silicene is quite different from that in graphene. The thermal conductivity of silicenemore » shows a logarithmic increase with respect to the sample size due to the small scattering rates of acoustic in-plane phonon modes, while that of graphene is finite. Detailed analysis of phonon scattering channels shows that the linear dispersion of the acoustic out-of-plane (ZA) phonon modes, which is induced by the buckled structure, makes the long-wavelength longitudinal acoustic phonon modes in silicene not as efficiently scattered as that in graphene. Compared with graphene, where most of the heat is carried by the acoustic out-of-plane (ZA) phonon modes, the ZA phonon modes in silicene only have ∼10% contribution to the total thermal conductivity, which can also be attributed to the buckled structure. This systematic comparison of phonon transport and thermal conductivity of silicene and graphene using the first-principle-based calculations shed some light on other two-dimensional materials, such as two-dimensional transition metal dichalcogenides.« less

Characterization of Lorenz number with Seebeck coefficient measurement

DOE PAGES

Kim, Hyun -Sik; Gibbs, Zachary M.; Tang, Yinglu; ...

2015-04-01

In analyzing zT improvements due to lattice thermal conductivity (κ L ) reduction, electrical conductivity (σ) and total thermal conductivity (κ Total ) are often used to estimate the electronic component of the thermal conductivity (κ E ) and in turn κ L from κ L = ~ κ Total - LσT. The Wiedemann-Franz law, κ E = LσT, where L is Lorenz number, is widely used to estimate κ E from σ measurements. It is a common practice to treat L as a universal factor with 2.44 × 10⁻⁸ WΩK⁻² (degenerate limit). However, significant deviations from the degenerate limitmore » (approximately 40% or more for Kane bands) are known to occur for non-degenerate semiconductors where L converges to 1.5 × 10⁻⁸ WΩK⁻² for acoustic phonon scattering. The decrease in L is correlated with an increase in thermopower (absolute value of Seebeck coefficient (S)). Thus, a first order correction to the degenerate limit of L can be based on the measured thermopower, |S|, independent of temperature or doping. We propose the equation: (where L is in 10⁻⁸ WΩK⁻² and S in μV/K) as a satisfactory approximation for L. This equation is accurate within 5% for single parabolic band/acoustic phonon scattering assumption and within 20% for PbSe, PbS, PbTe, Si₀.₈Ge₀.₂ where more complexity is introduced, such as non-parabolic Kane bands, multiple bands, and/or alternate scattering mechanisms. The use of this equation for L rather than a constant value (when detailed band structure and scattering mechanism is not known) will significantly improve the estimation of lattice thermal conductivity. L = 1.5 + exp [-|S|116]« less

Far-ultraviolet imagery of the Barnard Loop Nebula

NASA Technical Reports Server (NTRS)

Carruthers, G. R.; Opal, C. B.

1977-01-01

An electrographic Schmidt camera carried on a sounding rocket has yielded far-ultraviolet (1050-2000 A and 1230-2000 A) images of the Barnard Loop Nebula and of the general background in the Orion region due to scattering of ultraviolet starlight by interstellar dust particles. The total intensity in the Barnard Loop region agrees well with OAO-2 measurements, but the discrete Loop structure contributes only some 15% of the total. The measurements are consistent with a relatively high albedo for the dust grains in the far-ultraviolet.

Analysis of forward scattering of an acoustical zeroth-order Bessel beam from rigid complicated (aspherical) structures

NASA Astrophysics Data System (ADS)

Li, Wei; Chai, Yingbin; Gong, Zhixiong; Marston, Philip L.

2017-10-01

The forward scattering from rigid spheroids and endcapped cylinders with finite length (even with a large aspect ratio) immersed in a non-viscous fluid under the illumination of an idealized zeroth-order acoustical Bessel beam (ABB) with arbitrary angles of incidence is calculated and analyzed in the implementation of the T-matrix method (TTM). Based on the present method, the incident coefficients of expansion for the incident ABB are derived and simplifying methods are proposed for the numerical accuracy and computational efficiency according to the geometrical symmetries. A home-made MATLAB software package is constructed accordingly, and then verified and validated for the ABB scattering from rigid aspherical obstacles. Several numerical examples are computed for the forward scattering from both rigid spheroids and finite cylinder, with particular emphasis on the aspect ratios, the half-cone angles of ABBs, the incident angles and the dimensionless frequencies. The rectangular patterns of target strength in the (β, θs) domain (where β is the half-cone angle of the ABB and θs is the scattered polar angle) and local/total forward scattering versus dimensionless frequency are exhibited, which could provide new insights into the physical mechanisms of Bessel beam scattering by rigid spheroids and finite cylinders. The ray diagrams in geometrical models for the scattering in the forward half-space and the optical cross-section theorem help to interpret the scattering mechanisms of ABBs. This research work may provide an alternative for the partial wave series solution under certain circumstances interacting with ABBs for complicated obstacles and benefit some related works in optics and electromagnetics.

Thermal defect annealing of swift heavy ion irradiated ThO2

NASA Astrophysics Data System (ADS)

Palomares, Raul I.; Tracy, Cameron L.; Neuefeind, Joerg; Ewing, Rodney C.; Trautmann, Christina; Lang, Maik

2017-08-01

Isochronal annealing, neutron total scattering, and Raman spectroscopy were used to characterize the structural recovery of polycrystalline ThO2 irradiated with 2-GeV Au ions to a fluence of 1 × 1013 ions/cm2. Neutron diffraction patterns show that the Bragg signal-to-noise ratio increases and the unit cell parameter decreases as a function of isochronal annealing temperature, with the latter reaching its pre-irradiation value by 750 °C. Diffuse neutron scattering and Raman spectroscopy measurements indicate that an isochronal annealing event occurs between 275-425 °C. This feature is attributed to the annihilation of oxygen point defects and small oxygen defect clusters.

Competitive Self-Assembly Manifests Supramolecular Darwinism in Soft-Oxometalates

NASA Astrophysics Data System (ADS)

Das, Santu; Kumar, Saurabh; Mallick, Apabrita; Roy, Soumyajit

2015-09-01

Topological transformation manifested in inorganic materials shows manifold possibilities. In our present work, we show a clear topological transformation in a soft-oxometalate (SOM) system which was formed from its polyoxometalate (POM) precursor [PMo12@Mo72Fe30]. This topological transformation was observed due to time dependent competitive self-assembly of two different length scale soft-oxometalate moieties formed from this two-component host-guest reaction. We characterized different morphologies by scanning electron microscopy, electron dispersive scattering spectroscopy, dynamic light scattering, horizontal attenuated total reflection-infrared spectroscopy and Raman spectroscopy. The predominant structure is selected by its size in a sort of supramolecular Darwinian competition in this process and is described here.

Photoinduced surface plasmon switching at VO2/Au interface.

PubMed

Kumar, Nardeep; Rúa, Armando; Aldama, Jennifer; Echeverría, Karla; Fernández, Félix E; Lysenko, Sergiy

2018-05-28

Angle-resolved reflection, light scattering and ultrafast pump-probe spectroscopy combined with a surface plasmon-polariton (SPP) resonance technique in attenuated total reflection geometry was used to investigate the light-induced plasmonic switching in a photorefractive VO 2 /Au hybrid structure. Measurements of SPP scattering and reflection shows that the optically-induced formation of metallic state in a vanadium dioxide layer deposited on a gold film significantly alters the electromagnetic field enhancement and SPP propagation length at the VO 2 /Au interface. The ultrafast optical manipulation of SPP resonance is shown on a picosecond timescale. Obtained results demonstrate high potential of photorefractive vanadium oxides as efficient plasmonic modulating materials for ultrafast optoelectronic devices.

Kaon-nucleus scattering

NASA Technical Reports Server (NTRS)

Hong, Byungsik; Maung, Khin Maung; Wilson, John W.; Buck, Warren W.

1989-01-01

The derivations of the Lippmann-Schwinger equation and Watson multiple scattering are given. A simple optical potential is found to be the first term of that series. The number density distribution models of the nucleus, harmonic well, and Woods-Saxon are used without t-matrix taken from the scattering experiments. The parameterized two-body inputs, which are kaon-nucleon total cross sections, elastic slope parameters, and the ratio of the real to the imaginary part of the forward elastic scattering amplitude, are presented. The eikonal approximation was chosen as our solution method to estimate the total and absorptive cross sections for the kaon-nucleus scattering.

NOTE: Characterization of cirrhosis and hepatocellular carcinoma using low-angle x-ray scattering signatures of serum

NASA Astrophysics Data System (ADS)

Elshemey, Wael M.; Desouky, Omar S.; Mohammed, Mohammed S.; Elsayed, Anwar A.; El-houseini, Motawa E.

2003-09-01

The diagnosis of hepatocellular carcinoma (HCC) usually occurs at late stages in the disease when there are few effective treatment options. The measurement of the concentration of tumour markers in the serum of patients is a complementary tool frequently used for the interpretation of diagnostic imaging results. It is also used as a prognostic tool for the detection of cancer. Unfortunately, the sensitivity of tumour markers is still low and many times it yields normal results for cirrhotic and HCC patients. In the current work, the detection possibility of the structural changes in serum proteins accompanying cirrhosis and HCC is investigated using a low-angle x-ray scattering (LAXS) technique. The results show that there are significant differences in the LAXS profiles of cirrhosis and HCC lyophilized serum samples compared to normal. The changes in shape, total counts and position of the first scattering peak at 4.8°, which was previously reported to be sensitive to the structural changes in protein, showed the most characteristic deviations from normal serum. The present results are promising and would offer a potentially helpful complementary tool for monitoring cirrhosis and HCC.

Local structural behavior of PbZr0.5Ti0.5O3 during electric field application via in situ pair distribution function study

NASA Astrophysics Data System (ADS)

Zhao, Changhao; Hou, Dong; Chung, Ching-Chang; Yu, Yingying; Liu, Wenfeng; Li, Shengtao; Jones, Jacob L.

2017-11-01

The local structural behavior of PbZr0.5Ti0.5O3 (PZT 50/50) ceramics during application of an electric field was investigated using pair distribution function (PDF) analysis. In situ synchrotron total scattering was conducted, and the PDFs were calculated from the Fourier transform of the total scattering data. The PDF refinement of the zero-field data suggests a local-structure model with [001] Ti-displacement and negligible Zr-displacement. The directional PDFs at different field amplitudes indicate the bond-length distribution of the nearest Pb-B (B = Zr/Ti) pair changes significantly with the field. The radial distribution functions (RDFs) of a model for polarization rotation were calculated. The calculated and the experimental RDFs are consistent. This result suggests the changes in Pb-B bond-length distribution could be dominantly caused by polarization rotation. Peak fitting of the experimental RDFs was also conducted. The peak position trends with increasing field are mostly in agreement with the calculation result of the polarization rotation model. The area ratio of the peaks in the experimental RDFs also changed with field amplitude, indicating that Zr atoms have a detectable displacement driven by the electric field. Our study provides an experimental observation of the behaviors of PZT 50/50 under field at a local scale which supports the polarization rotation mechanism.

Characterisation of large scale structures in starch granules via small-angle neutron and X-ray scattering.

PubMed

Doutch, James; Gilbert, Elliot P

2013-01-02

Small angle scattering (SAS) techniques have a distinguished track record in illuminating the semi-crystalline lamellar structure of the starch granule. To date, there have been few attempts to use SAS techniques to characterise larger-scale structures reported from imaging techniques such as growth rings, blocklets or pores, nor how these structures would modulate the well-known scattering arising from the semi-crystalline lamellar structure. In this study, SAS data collected over an extended q range were gathered from dry and hydrated starch powders from varied botanical sources. The use of neutrons and X-rays, as well as comparing dry and hydrated granules, allowed different levels of contrast in scattering length density to be probed and therefore selected structural regions to be highlighted. The lowest q range, 0.002-0.04 Å(-1), was found to be dominated by scattering from the starch granules themselves, especially in the dry powders; however an inflection point from a low contrast structure was observed at 0.035 Å(-1). The associated scattering was interpreted within a unified scattering framework with the inflexion point correlating with a structure with radius of gyration ~90 Å - a size comparable to small blocklets or superhelices. In hydrated starches, it is observed that there is an inflection point between lamellar and q(-4) power-law scattering regions at approximately 0.004 Å(-1) which may correlate with growth rings and large blocklets. The implications of these findings on existing models of starch lamellar scattering are discussed. Crown Copyright © 2012. Published by Elsevier Ltd. All rights reserved.

Resonant soft X-ray scattering on protein solutions

NASA Astrophysics Data System (ADS)

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

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

Network representations of angular regions for electromagnetic scattering

PubMed Central

2017-01-01

Network modeling in electromagnetics is an effective technique in treating scattering problems by canonical and complex structures. Geometries constituted of angular regions (wedges) together with planar layers can now be approached with the Generalized Wiener-Hopf Technique supported by network representation in spectral domain. Even if the network representations in spectral planes are of great importance by themselves, the aim of this paper is to present a theoretical base and a general procedure for the formulation of complex scattering problems using network representation for the Generalized Wiener Hopf Technique starting basically from the wave equation. In particular while the spectral network representations are relatively well known for planar layers, the network modelling for an angular region requires a new theory that will be developed in this paper. With this theory we complete the formulation of a network methodology whose effectiveness is demonstrated by the application to a complex scattering problem with practical solutions given in terms of GTD/UTD diffraction coefficients and total far fields for engineering applications. The methodology can be applied to other physics fields. PMID:28817573

Terahertz quantum cascade lasers based on resonant phonon scattering for depopulation.

PubMed

Hu, Qing; Williams, Benjamin S; Kumar, Sushil; Callebaut, Hans; Reno, John L

2004-02-15

We report our development of terahertz (THz) quantum cascade lasers (QCLs), in which the depopulation of the lower radiative level is achieved through resonant longitudinal optical (LO) phonon scattering. This depopulation mechanism, similar to that implemented in all the QCLs operating at mid-infrared frequencies, is robust at high temperatures and high injection levels. The unique feature of resonant LO-phonon scattering in our THz QCL structures allows a highly selective depopulation of the lower radiative level with a sub-picosecond lifetime, while maintaining a relatively long upper level lifetime (more than 5 ps) that is due to upper-to-ground-state scattering. The first QCL based on this mechanism achieved lasing at 3.4 THz (lambda approximately 87 microm) up to 87 K for pulsed operations, with peak power levels exceeding 10 mW at ca. 40 K. Using a novel double-sided metal waveguide for mode confinement, which yields a unity mode confinement factor and therefore a low total cavity loss at THz frequencies, we have also achieved lasing at wavelengths longer than 100 microm.

Kaon-nucleus scattering

NASA Technical Reports Server (NTRS)

Hong, Byungsik; Buck, Warren W.; Maung, Khin M.

1989-01-01

Two kinds of number density distributions of the nucleus, harmonic well and Woods-Saxon models, are used with the t-matrix that is taken from the scattering experiments to find a simple optical potential. The parameterized two body inputs, which are kaon-nucleon total cross sections, elastic slope parameters, and the ratio of the real to imaginary part of the forward elastic scattering amplitude, are shown. The eikonal approximation was chosen as the solution method to estimate the total and absorptive cross sections for the kaon-nucleus scattering.

Scattering from fractals

NASA Astrophysics Data System (ADS)

Hurd, Alan J.

The realization that structures in Nature often can be described by Mandelbrot's fractals has led to a revolution in many areas of physics. The interaction of waves with fractal systems has, understandably, become intensely studied since scattering is the method of choice to probe delicate fractal structures such as chainlike particle aggregates. Not all of these waves are electromagnetic. Neutron scattering, for example, is an important complementary tool to structural studies by X-ray and light scattering. Since the phenomenology of small-angle neutron scattering (SANS), as it is applied to fractal systems, is identical to that of small-angle X-ray scattering (SAXS), it falls within the scope of this paper.

The chaotic set and the cross section for chaotic scattering in three degrees of freedom

NASA Astrophysics Data System (ADS)

Jung, C.; Merlo, O.; Seligman, T. H.; Zapfe, W. P. K.

2010-10-01

This article treats chaotic scattering with three degrees of freedom, where one of them is open and the other two are closed, as a first step towards a more general understanding of chaotic scattering in higher dimensions. Despite the strong restrictions, it breaks the essential simplicity implicit in any two-dimensional time-independent scattering problem. Introducing the third degree of freedom by breaking a continuous symmetry, we first explore the topological structure of the homoclinic/heteroclinic tangle and the structures in the scattering functions. Then we work out the implications of these structures for the doubly differential cross section. The most prominent structures in the cross section are rainbow singularities. They form a fractal pattern that reflects the fractal structure of the chaotic invariant set. This allows us to determine structures in the cross section from the invariant set and, conversely, to obtain information about the topology of the invariant set from the cross section. The latter is a contribution to the inverse scattering problem for chaotic systems.

Measurement of Total Scatter Factor for Stereotactic Cones with Plastic Scintillation Detector

PubMed Central

Chaudhari, Suresh H; Dobhal, Rishabh; Kinhikar, Rajesh A.; Kadam, Sudarshan S.; Deshpande, Deepak D.

2017-01-01

Advanced radiotherapy modalities such as stereotactic radiosurgery (SRS) and image-guided radiotherapy may employ very small beam apertures for accurate localized high dose to target. Accurate measurement of small radiation fields is a well-known challenge for many dosimeters. The purpose of this study was to measure total scatter factors for stereotactic cones with plastic scintillation detector and its comparison against diode detector and theoretical estimates. Measurements were performed on Novalis Tx™ linear accelerator for 6MV SRS beam with stereotactic cones of diameter 6 mm, 7.5 mm, 10 mm, 12.5 mm, and 15 mm. The advantage of plastic scintillator detector is in its energy dependence. The total scatter factor was measured in water at the depth of dose maximum. Total scatter factor with plastic scintillation detector was determined by normalizing the readings to field size of 10 cm × 10 cm. To overcome energy dependence of diode detector for the determination of scatter factor with diode detector, daisy chaining method was used. The plastic scintillator detector was calibrated against the ionization chamber, and the reproducibility in the measured doses was found to be within ± 1%. Total scatter factor measured with plastic scintillation detector was 0.728 ± 0.3, 0.783 ± 0.05, 0.866 ± 0.55, 0.885 ± 0.5, and 0.910 ± 0.06 for cone sizes of 6 mm, 7.5 mm, 10 mm, 12.5 mm, and 15 mm, respectively. Total scatter factor measured with diode detector was 0.733 ± 0.03, 0.782 ± 0.02, 0.834 ± 0.07, 0.854 ± 0.02, and 0.872 ± 0.02 for cone sizes of 6 mm, 7.5 mm, 10 mm, 12.5 mm, and 15 mm, respectively. The variation in the measurement of total scatter factor with published Monte Carlo data was found to be −1.3%, 1.9%, −0.4%, and 0.4% for cone sizes of 7.5 mm, 10 mm, 12.5 mm, and 15 mm, respectively. We conclude that total scatter factor measurements for stereotactic cones can be adequately carried out with a plastic scintillation detector. Our results show a high level of consistency within our data and compared well with published data. PMID:28405102

Measurement of Total Scatter Factor for Stereotactic Cones with Plastic Scintillation Detector.

PubMed

Chaudhari, Suresh H; Dobhal, Rishabh; Kinhikar, Rajesh A; Kadam, Sudarshan S; Deshpande, Deepak D

2017-01-01

Advanced radiotherapy modalities such as stereotactic radiosurgery (SRS) and image-guided radiotherapy may employ very small beam apertures for accurate localized high dose to target. Accurate measurement of small radiation fields is a well-known challenge for many dosimeters. The purpose of this study was to measure total scatter factors for stereotactic cones with plastic scintillation detector and its comparison against diode detector and theoretical estimates. Measurements were performed on Novalis Tx ™ linear accelerator for 6MV SRS beam with stereotactic cones of diameter 6 mm, 7.5 mm, 10 mm, 12.5 mm, and 15 mm. The advantage of plastic scintillator detector is in its energy dependence. The total scatter factor was measured in water at the depth of dose maximum. Total scatter factor with plastic scintillation detector was determined by normalizing the readings to field size of 10 cm × 10 cm. To overcome energy dependence of diode detector for the determination of scatter factor with diode detector, daisy chaining method was used. The plastic scintillator detector was calibrated against the ionization chamber, and the reproducibility in the measured doses was found to be within ± 1%. Total scatter factor measured with plastic scintillation detector was 0.728 ± 0.3, 0.783 ± 0.05, 0.866 ± 0.55, 0.885 ± 0.5, and 0.910 ± 0.06 for cone sizes of 6 mm, 7.5 mm, 10 mm, 12.5 mm, and 15 mm, respectively. Total scatter factor measured with diode detector was 0.733 ± 0.03, 0.782 ± 0.02, 0.834 ± 0.07, 0.854 ± 0.02, and 0.872 ± 0.02 for cone sizes of 6 mm, 7.5 mm, 10 mm, 12.5 mm, and 15 mm, respectively. The variation in the measurement of total scatter factor with published Monte Carlo data was found to be -1.3%, 1.9%, -0.4%, and 0.4% for cone sizes of 7.5 mm, 10 mm, 12.5 mm, and 15 mm, respectively. We conclude that total scatter factor measurements for stereotactic cones can be adequately carried out with a plastic scintillation detector. Our results show a high level of consistency within our data and compared well with published data.

Spectral structure of laser light scattering revisited: bandwidths of nonresonant scattering lidars.

PubMed

She, C Y

2001-09-20

It is well known that scattering lidars, i.e., Mie, aerosol-wind, Rayleigh, high-spectral-resolution, molecular-wind, rotational Raman, and vibrational Raman lidars, are workhorses for probing atmospheric properties, including the backscatter ratio, aerosol extinction coefficient, temperature, pressure, density, and winds. The spectral structure of molecular scattering (strength and bandwidth) and its constituent spectra associated with Rayleigh and vibrational Raman scattering are reviewed. Revisiting the correct name by distinguishing Cabannes scattering from Rayleigh scattering, and sharpening the definition of each scattering component in the Rayleigh scattering spectrum, the review allows a systematic, logical, and useful comparison in strength and bandwidth between each scattering component and in receiver bandwidths (for both nighttime and daytime operation) between the various scattering lidars for atmospheric sensing.

Gravitational scattering of electromagnetic radiation

NASA Technical Reports Server (NTRS)

Brooker, J. T.; Janis, A. I.

1980-01-01

The scattering of electromagnetic radiation by linearized gravitational fields is studied to second order in a perturbation expansion. The incoming electromagnetic radiation can be of arbitrary multipole structure, and the gravitational fields are also taken to be advanced fields of arbitrary multipole structure. All electromagnetic multipole radiation is found to be scattered by gravitational monopole and time-varying dipole fields. No case has been found, however, in which any electromagnetic multipole radiation is scattered by gravitational fields of quadrupole or higher-order multipole structure. This lack of scattering is established for infinite classes of special cases, and is conjectured to hold in general. The results of the scattering analysis are applied to the case of electromagnetic radiation scattered by a moving mass. It is shown how the mass and velocity may be determined by a knowledge of the incident and scattered radiation.

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

Alam, Aftab; Khan, Suffian N.; Smirnov, A. V.

Korringa-Kohn-Rostoker (KKR) Green's function, multiple-scattering theory is an ecient sitecentered, electronic-structure technique for addressing an assembly of N scatterers. Wave-functions are expanded in a spherical-wave basis on each scattering center and indexed up to a maximum orbital and azimuthal number L max = (l,m) max, while scattering matrices, which determine spectral properties, are truncated at L tr = (l,m) tr where phase shifts δl>l tr are negligible. Historically, L max is set equal to L tr, which is correct for large enough L max but not computationally expedient; a better procedure retains higher-order (free-electron and single-site) contributions for L maxmore » > L tr with δl>l tr set to zero [Zhang and Butler, Phys. Rev. B 46, 7433]. We present a numerically ecient and accurate augmented-KKR Green's function formalism that solves the KKR equations by exact matrix inversion [R 3 process with rank N(l tr + 1) 2] and includes higher-L contributions via linear algebra [R 2 process with rank N(l max +1) 2]. Augmented-KKR approach yields properly normalized wave-functions, numerically cheaper basis-set convergence, and a total charge density and electron count that agrees with Lloyd's formula. We apply our formalism to fcc Cu, bcc Fe and L1 0 CoPt, and present the numerical results for accuracy and for the convergence of the total energies, Fermi energies, and magnetic moments versus L max for a given L tr.« less

Baseline-Subtraction-Free (BSF) Damage-Scattered Wave Extraction for Stiffened Isotropic Plates

NASA Technical Reports Server (NTRS)

He, Jiaze; Leser, Patrick E.; Leser, William P.

2017-01-01

Lamb waves enable long distance inspection of structures for health monitoring purposes. However, this capability is diminished when applied to complex structures where damage-scattered waves are often buried by scattering from various structural components or boundaries in the time-space domain. Here, a baseline-subtraction-free (BSF) inspection concept based on the Radon transform (RT) is proposed to identify and separate these scattered waves from those scattered by damage. The received time-space domain signals can be converted into the Radon domain, in which the scattered signals from structural components are suppressed into relatively small regions such that damage-scattered signals can be identified and extracted. In this study, a piezoelectric wafer and a linear scan via laser Doppler vibrometer (LDV) were used to excite and acquire the Lamb-wave signals in an aluminum plate with multiple stiffeners. Linear and inverse linear Radon transform algorithms were applied to the direct measurements. The results demonstrate the effectiveness of the Radon transform as a reliable extraction tool for damage-scattered waves in a stiffened aluminum plate and also suggest the possibility of generalizing this technique for application to a wide variety of complex, large-area structures.

How Noniridescent Colors Are Generated by Quasi-ordered Structures of Bird Feathers

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

Noh, Heeso; Liew, Seng Fatt; Saranathan, Vinodkumar

2012-03-26

We investigate the mechanism of structural coloration by quasi-ordered nanostructures in bird feather barbs. Small-angle X-ray scattering (SAXS) data reveal the structures are isotropic and have short-range order on length scales comparable to optical wavelengths. We perform angle-resolved reflection and scattering spectrometry to fully characterize the colors under directional and omni-directional illumination of white light. Under directional lighting, the colors change with the angle between the directions of illumination and observation. The angular dispersion of the primary peaks in the scattering/reflection spectra can be well explained by constructive interference of light that is scattered only once in the quasi-ordered structures.more » Using the Fourier power spectra of structure from the SAXS data we calculate optical scattering spectra and explain why the light scattering peak is the highest in the backscattering direction. Under omni-directional lighting, colors from the quasi-ordered structures are invariant with the viewing angle. The non-iridescent coloration results from the isotropic nature of structures instead of strong backscattering.« less

Mid-latitude spread-F structure

NASA Astrophysics Data System (ADS)

Meehan, D. H.; From, W. R.

1988-07-01

Observations of spread-F at frequencies of 1.98, 3.84, and 5.80 MHz and multiple angles of arrival have been obtained with an HF radar near Brisbane. It is suggested that the spreading of the ionogram trace is due to a spread in the arrival angles of echoes, and that the reflection process may involve total specular reflection rather than scattering. The results indicate that the structure cannot be purely frontal with purely linear movement. The velocities are found to be much less than for coexisting traveling ionospheric disturbances.

Plane wave scattering by bow-tie posts

NASA Astrophysics Data System (ADS)

Lech, Rafal; Mazur, Jerzy

2004-04-01

The theory of scattering in free space by a novel structure of a two-dimensional dielectric-metallic post is developed with the use of a combination of a modified iterative scattering procedure and an orthogonal expansion method. The far scattered field patterns for open structures are derived. The rotation of the post affects its scattered field characteristic, which permits to make adjustments in characteristic of the posts arrays.

On the Relationship Between Hyperspectral Data and Foliar Nitrogen Content in Closed Canopy Forests

NASA Astrophysics Data System (ADS)

Knyazikhin, Y.; Schull, M.; Lepine, L. C.; Stenberg, P.; Mõttus, M.; Rautiainen, M.; Latorre, P.; Myneni, R.; Kaufmann, R.

2011-12-01

The importance of nitrogen for terrestrial ecosystem carbon dynamics and its climate feedback has been well recognized by the ecological community. Interaction between carbon and nitrogen at leaf level is among the fundamental mechanisms that directly control the dynamics of terrestrial vegetation carbon. This process influences absorption and scattering of solar radiation by foliage, which in turn impacts radiation reflected by the vegetation and measured by satellite sensors. NASA's Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) and ground based data on canopy structure and foliage nitrogen concentration acquired over six sites in Maine, New England, Florida, North Carolina and Washington were analyzed to assess the role of canopy structure, leaf optics and its biochemical constituents in the spectral variation of radiation reflected by the forest. The study sites represent closed canopy forests (LAI~5). Our results suggest: 1. Impact of canopy structure is so strong that it can significantly suppress the sensitivity of hyperspectral data to leaf optics. 2. Forest reflectance spectra in the interval [710, 790 nm] are required to obtain the fraction of the total leaf area that a "sensor sees" in a given direction. For closed canopy forests its retrieval does not require canopy reflectance models, suggesting that canopy reflectance spectra in this interval provide a direct estimate of the leaf area fraction. 3. The leaf area fraction fully explains variation in measured reflectance spectra due to variation in canopy structure. This variable is used to estimate the mean leaf scattering over foliage that the "sensor sees." For example the nadir-viewing AVIRIS sensor accumulates foliage optical properties over 25% of the total foliage area in needle leaf forest and about 50% in broadleaf forest. 4. Leaf surface properties have an impact on forest reflectivity, lowering its sensitivity to leaf absorbing pigments. 5. Variation in foliar nitrogen concentration can explain up to 55% of variation in AVIRIS spectra in the interval between 400 and 900 nm. The remaining factors could be due to (a) impact of leaf surface properties and/or (b) under-sampling of leaf optical properties due to the single view of the AVIRIS sensor. The theory of canopy spectral invariants underlies the separation of leaf scattering from the total canopy reflectance spectrum.

Nanoalloy catalysts inside fuel cells: An atomic-level perspective on the functionality by combined in operando x-ray spectroscopy and total scattering

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

Petkov, Valeri; Maswadeh, Yazan; Zhao, Yinguang

We introduce an experimental approach for structural characterization of catalysts for fuel cells combining synchrotron x-ray spectroscopy and total scattering. The approach allows probing catalysts inside operating fuel cells with atomic-level precision (~ 0.02 Å) and element specificity (~ 2–3 at%) in both time (~ 1 min) and space (~ μm) resolved manner. The approach is demonstrated on exemplary Pd-Sn and Pt-Ni-Cu nanoalloy catalysts for the oxygen reduction reaction (ORR) deposited on the cathode of an operating proton exchange membrane fuel cell. In operando x-ray data show that under operating conditions, the catalyst particles can undergo specific structural changes, rangingmore » from sub-Å atomic fluctuations and sharp nanophase transitions to a gradual strain relaxation and growth, which inflict significant losses in their ORR activity. Though triggered electrochemically, the changes are not driven solely by differences in the reduction potential and surface energy of the metallic species constituting the nanoalloys but also by the formation energy of competing nanophases, mismatch between the size of individual atomic species and their ability to interdiffuse fast in search of energetically favorable configurations. Given their complexity, the changes are difficult to predict and so the resulting ORR losses remain difficult to limit. We show that in operando knowledge of the structural evolution of nanoalloy catalysts helps create strategies for improving their activity and stability. In particular, we show that shaping Pd-Sn nanoalloys rich in Pd as cubes reduces the interdiffusion of atoms at their surface and so makes them better catalysts for ORR in fuel cells in comparison to other Pd-Sn nanoalloys. In addition, we demonstrate that the approach introduced here can provide knowledge of other major factors affecting the performance of fuel cells such as operating temperature and the overall catalyst utilization, in particular the evolution of elemental and mass distribution of catalyst particles over the cells’ cathode. Last but not least, we discuss how in operando x-ray spectroscopy and total x-ray scattering can bridge the knowledge gap between the widely used in situ SAXS, EXAFS and monocrystal surface XRD techniques for structural characterization of nanoalloy catalysts explored for energy related applications.« less

Nanoalloy catalysts inside fuel cells: An atomic-level perspective on the functionality by combined in operando x-ray spectroscopy and total scattering

DOE PAGES

Petkov, Valeri; Maswadeh, Yazan; Zhao, Yinguang; ...

2018-04-18

We introduce an experimental approach for structural characterization of catalysts for fuel cells combining synchrotron x-ray spectroscopy and total scattering. The approach allows probing catalysts inside operating fuel cells with atomic-level precision (~ 0.02 Å) and element specificity (~ 2–3 at%) in both time (~ 1 min) and space (~ μm) resolved manner. The approach is demonstrated on exemplary Pd-Sn and Pt-Ni-Cu nanoalloy catalysts for the oxygen reduction reaction (ORR) deposited on the cathode of an operating proton exchange membrane fuel cell. In operando x-ray data show that under operating conditions, the catalyst particles can undergo specific structural changes, rangingmore » from sub-Å atomic fluctuations and sharp nanophase transitions to a gradual strain relaxation and growth, which inflict significant losses in their ORR activity. Though triggered electrochemically, the changes are not driven solely by differences in the reduction potential and surface energy of the metallic species constituting the nanoalloys but also by the formation energy of competing nanophases, mismatch between the size of individual atomic species and their ability to interdiffuse fast in search of energetically favorable configurations. Given their complexity, the changes are difficult to predict and so the resulting ORR losses remain difficult to limit. We show that in operando knowledge of the structural evolution of nanoalloy catalysts helps create strategies for improving their activity and stability. In particular, we show that shaping Pd-Sn nanoalloys rich in Pd as cubes reduces the interdiffusion of atoms at their surface and so makes them better catalysts for ORR in fuel cells in comparison to other Pd-Sn nanoalloys. In addition, we demonstrate that the approach introduced here can provide knowledge of other major factors affecting the performance of fuel cells such as operating temperature and the overall catalyst utilization, in particular the evolution of elemental and mass distribution of catalyst particles over the cells’ cathode. Last but not least, we discuss how in operando x-ray spectroscopy and total x-ray scattering can bridge the knowledge gap between the widely used in situ SAXS, EXAFS and monocrystal surface XRD techniques for structural characterization of nanoalloy catalysts explored for energy related applications.« less

Measurement of thermal radiation scattering characteristics of submicron refractory particles.

NASA Technical Reports Server (NTRS)

Jacobs, W. R.; Williams, J. R.

1971-01-01

The differential scattering parameter has been measured for 0.04-micron tungsten particles in hydrogen and nitrogen at temperatures to 1080 K. The differential scattering parameter has also been measured for 0.1 micron tungsten, three types of carbon particles, and fly ash in nitrogen at temperatures to 1000 K. The 0.04 micron tungsten shows a temperature dependent total scattering parameter varying from around 4000 sq cm per g at room temperature to 7000 sq cm per g at 1088 K. The temperatures over which data were obtained are not high enough to confirm the temperature dependence of the total scattering parameter of tungsten.

Integral elastic, electronic-state, ionization, and total cross sections for electron scattering with furfural

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

Jones, D. B.; Costa, R. F. da; Departamento de Física, Universidade Federal do Espírito Santo, 29075-910, Vitória, Espírito Santo

We report absolute experimental integral cross sections (ICSs) for electron impact excitation of bands of electronic-states in furfural, for incident electron energies in the range 20–250 eV. Wherever possible, those results are compared to corresponding excitation cross sections in the structurally similar species furan, as previously reported by da Costa et al. [Phys. Rev. A 85, 062706 (2012)] and Regeta and Allan [Phys. Rev. A 91, 012707 (2015)]. Generally, very good agreement is found. In addition, ICSs calculated with our independent atom model (IAM) with screening corrected additivity rule (SCAR) formalism, extended to account for interference (I) terms that arisemore » due to the multi-centre nature of the scattering problem, are also reported. The sum of those ICSs gives the IAM-SCAR+I total cross section for electron–furfural scattering. Where possible, those calculated IAM-SCAR+I ICS results are compared against corresponding results from the present measurements with an acceptable level of accord being obtained. Similarly, but only for the band I and band II excited electronic states, we also present results from our Schwinger multichannel method with pseudopotentials calculations. Those results are found to be in good qualitative accord with the present experimental ICSs. Finally, with a view to assembling a complete cross section data base for furfural, some binary-encounter-Bethe-level total ionization cross sections for this collision system are presented.« less

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

DOE PAGES

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

2016-05-17

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

Spin-orbit excitations and electronic structure of the putative Kitaev magnet α -RuCl3

NASA Astrophysics Data System (ADS)

Sandilands, Luke J.; Tian, Yao; Reijnders, Anjan A.; Kim, Heung-Sik; Plumb, K. W.; Kim, Young-June; Kee, Hae-Young; Burch, Kenneth S.

2016-02-01

Mott insulators with strong spin-orbit coupling have been proposed to host unconventional magnetic states, including the Kitaev quantum spin liquid. The 4 d system α -RuCl3 has recently come into view as a candidate Kitaev system, with evidence for unusual spin excitations in magnetic scattering experiments. We apply a combination of optical spectroscopy and Raman scattering to study the electronic structure of this material. Our measurements reveal a series of orbital excitations involving localized total angular momentum states of the Ru ion, implying that strong spin-orbit coupling and electron-electron interactions coexist in this material. Analysis of these features allows us to estimate the spin-orbit coupling strength, as well as other parameters describing the local electronic structure, revealing a well-defined hierarchy of energy scales within the Ru d states. By comparing our experimental results with density functional theory calculations, we also clarify the overall features of the optical response. Our results demonstrate that α -RuCl3 is an ideal material system to study spin-orbit coupled magnetism on the honeycomb lattice.

Structural and dynamical properties of chlorinated hydrocarbons studied with resonant inelastic x-ray scattering

NASA Astrophysics Data System (ADS)

Bohinc, R.; Žitnik, M.; Bučar, K.; Kavčič, M.; Carniato, S.; Journel, L.; Guillemin, R.; Marchenko, T.; Kawerk, E.; Simon, M.; Cao, W.

2016-04-01

We present a theoretical and experimental study of resonant inelastic x-ray scattering on a large group of chlorinated hydrocarbons: CH3Cl, CH2Cl2, CHCl3, CCl4, CH3CH2Cl, ClCH2CH2Cl, CH3CHCl2, CH3CCl3, C2H2Cl2-iso, C2H2Cl2-cis, C2H2Cl2-trans, and C6H5Cl. Differences in structural and dynamical properties of the molecules generated by diverse chemical environments are observed in the measured Cl(Kα) spectral maps as well as in the Cl(K) total fluorescence yield spectra. The energy position, relative intensity, and the width of the Franck-Condon distribution of low-lying σ∗ and π∗ resonances are extracted by a fitting procedure taking into account the experimental broadening. The theoretical values obtained with the transition potential and Δ Kohn-Sham methods are in good agreement with the experimental parameters indicating subtle differences due to variations in the molecular structure.

Structural and dynamical properties of chlorinated hydrocarbons studied with resonant inelastic x-ray scattering.

PubMed

Bohinc, R; Žitnik, M; Bučar, K; Kavčič, M; Carniato, S; Journel, L; Guillemin, R; Marchenko, T; Kawerk, E; Simon, M; Cao, W

2016-04-07

We present a theoretical and experimental study of resonant inelastic x-ray scattering on a large group of chlorinated hydrocarbons: CH3Cl, CH2Cl2, CHCl3, CCl4, CH3CH2Cl, ClCH2CH2Cl, CH3CHCl2, CH3CCl3, C2H2Cl2-iso, C2H2Cl2-cis, C2H2Cl2-trans, and C6H5Cl. Differences in structural and dynamical properties of the molecules generated by diverse chemical environments are observed in the measured Cl(K(α)) spectral maps as well as in the Cl(K) total fluorescence yield spectra. The energy position, relative intensity, and the width of the Franck-Condon distribution of low-lying σ* and π* resonances are extracted by a fitting procedure taking into account the experimental broadening. The theoretical values obtained with the transition potential and Δ Kohn-Sham methods are in good agreement with the experimental parameters indicating subtle differences due to variations in the molecular structure.

Review of total cross sections and forward scattering parameters at ultra-high energies

NASA Astrophysics Data System (ADS)

Block, M. M.; White, A. R.

1991-10-01

We review the field of the elastic scattering of pp and (bar p)p at the ultra-high energies. The recent total cross section, sigma (sub tot), and rho-value results from the Fermilab Tevatron Collider experiments presented at the 4th 'Blois' Workshop on Elastic and Diffractive Scattering (Elba, Italy, in May, 1991), allow us a comprehensive overview of the field.

Measurement of the n-p elastic scattering angular distribution at E{sub n}=14.9 MeV

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

Boukharouba, N.; Bateman, F. B.; Carlson, A. D.

2010-07-15

The relative differential cross section for the elastic scattering of neutrons by protons was measured at an incident neutron energy E{sub n}=14.9 MeV and for center-of-mass scattering angles ranging from about 60 deg. to 180 deg. Angular distribution values were obtained from the normalization of the integrated data to the n-p total elastic scattering cross section. Comparisons of the normalized data to the predictions of the Arndt et al. phase-shift analysis, those of the Nijmegen group, and with the ENDF/B-VII.0 evaluation are sensitive to the value of the total elastic scattering cross section used to normalize the data. The resultsmore » of a fit to a first-order Legendre polynomial expansion are in good agreement in the backward scattering hemisphere with the predictions of the Arndt et al. phase-shift analysis, those of the Nijmegen group, and to a lesser extent, with the ENDF/B-VII.0 evaluation. A fit to a second-order expansion is in better agreement with the ENDF/B-VII.0 evaluation than with the other predictions, in particular when the total elastic scattering cross section given by Arndt et al. and the Nijmegen group is used to normalize the data. A Legendre polynomial fit to the existing n-p scattering data in the 14 MeV energy region, excluding the present measurement, showed that a best fit is obtained for a second-order expansion. Furthermore, the Kolmogorov-Smirnov test confirms the general agreement in the backward scattering hemisphere and shows that significant differences between the database and the predictions occur in the angular range between 60 deg. and 120 deg. and below 20 deg. Although there is good overall agreement in the backward scattering hemisphere, more precision small-angle scattering data and a better definition of the total elastic cross section are needed for an accurate determination of the shape and magnitude of the angular distribution.« less

Acoustic and elastic multiple scattering and radiation from cylindrical structures

NASA Astrophysics Data System (ADS)

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 incident wave to produce zero total field over a finite spatial region. The approach precisely determines the necessary source amplitudes and enables a cloaked region to be determined using Graf's theorem. To apply the approach, the infinite series of multipole expansions are truncated, and the accuracy of cloaking is studied by modifying the truncation parameter.

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

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

Neilson, James R.; McQueen, Tyrel M.

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

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

DOE PAGES

Neilson, James R.; McQueen, Tyrel M.

2015-09-20

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

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

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

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

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

Raman Scattered He II 4332 and Photoionization Model in the Symbiotic Star V1016 Cygni

NASA Astrophysics Data System (ADS)

Lee, H.-W.; Heo, J.-E.; Lee, B.-C.

2014-08-01

Symbiotic stars are wide binary systems of a white dwarf and a mass losing giant. They exhibit unique Raman scattered features as a result of inelastic scattering of far UV line photons by atomic hydrogen. Co-existence of a far UV He II emission region and a thick H I region in symbiotic stars is necessary for the formation of Raman-scattered features blueward of hydrogen Balmer emission lines. Being a single electron atom, He II has the same atomic structure as the hydrogen atom and hence emits far UV emission lines that are slightly blueward of hydrogen Lyman lines. These far UV He II emission lines can be Raman scattered to appear blueward of hydrogen Balmer lines. In particular, the symbiotic star V1016 Cyg is found to exhibit Raman scattered He II 4332 feature in the BOES high resolution spectrum. Our profile fitting of Raman scattered He II 4332 is consistent with the mass loss geometry proposed by Jung & Lee (2004). We use the photoionization code ‘ CLOUDY' to estimate the far UV He II emission lines and make comparisons with the observed Raman scattered He II 4332 blueward of Hγ in the high resolution echelle V1016 Cyg. The emission nebula is assumed to be of uniform density of 108 cm-3 that is illuminated by a black body characterized by its temperature and total luminosity. With our comparisons we conclude that the Raman scattered He II features are consistent with the existence of a photoionized nebula by a hot black body source with temperature 7-8× 104 K with a luminosity 1038erg s-1.

Forward and inverse models of electromagnetic scattering from layered media with rough interfaces

NASA Astrophysics Data System (ADS)

Tabatabaeenejad, Seyed Alireza

This work addresses the problem of electromagnetic scattering from layered dielectric structures with rough boundaries and the associated inverse problem of retrieving the subsurface parameters of the structure using the scattered field. To this end, a forward scattering model based on the Small Perturbation Method (SPM) is developed to calculate the first-order spectral-domain bistatic scattering coefficients of a two-layer rough surface structure. SPM requires the boundaries to be slightly rough compared to the wavelength, but to understand the range of applicability of this method in scattering from two-layer rough surfaces, its region of validity is investigated by comparing its output with that of a first principle solver that does not impose roughness restrictions. The Method of Moments (MoM) is used for this purpose. Finally, for retrieval of the model parameters of the layered structure using scattered field, an inversion scheme based on the Simulated Annealing method is investigated and a strategy is proposed to address convergence to local minimum.

Millimeter wave scattering characteristics and radar cross section measurements of common roadway objects

NASA Astrophysics Data System (ADS)

Zoratti, Paul K.; Gilbert, R. Kent; Majewski, Ronald; Ference, Jack

1995-12-01

Development of automotive collision warning systems has progressed rapidly over the past several years. A key enabling technology for these systems is millimeter-wave radar. This paper addresses a very critical millimeter-wave radar sensing issue for automotive radar, namely the scattering characteristics of common roadway objects such as vehicles, roadsigns, and bridge overpass structures. The data presented in this paper were collected on ERIM's Fine Resolution Radar Imaging Rotary Platform Facility and processed with ERIM's image processing tools. The value of this approach is that it provides system developers with a 2D radar image from which information about individual point scatterers `within a single target' can be extracted. This information on scattering characteristics will be utilized to refine threat assessment processing algorithms and automotive radar hardware configurations. (1) By evaluating the scattering characteristics identified in the radar image, radar signatures as a function of aspect angle for common roadway objects can be established. These signatures will aid in the refinement of threat assessment processing algorithms. (2) Utilizing ERIM's image manipulation tools, total RCS and RCS as a function of range and azimuth can be extracted from the radar image data. This RCS information will be essential in defining the operational envelope (e.g. dynamic range) within which any radar sensor hardware must be designed.

Chandra Observations of the Solar System

NASA Astrophysics Data System (ADS)

Lisse, Carey

2014-11-01

Many solar system objects are now known to emit X-rays due to charge-exchange between highly charged solar wind (SW) minor ions and neutrals in their extended atmospheres, including Earth, Venus, Mars, Jupiter, and the heliosphere, with total power outputs on the MW - GW scale. (Currently only upper limits exist for Saturn and Pluto.) Chandra observations of their morphology, spectra, and time dependence provide important information about the neutral atmosphere structure and the SW flux and charge state. Chandra observations of solar x-ray scattering from Earth, Venus, Mars, Jupiter, Saturn, and the Moon have also provided important clues for the scattering material and the solar radiation field at the body. We present here a 15 year summary of Chandra's solar system observations.

Three-Dimensional Electromagnetic Scattering from Layered Media with Rough Interfaces for Subsurface Radar Remote Sensing

NASA Astrophysics Data System (ADS)

Duan, Xueyang

The objective of this dissertation is to develop forward scattering models for active microwave remote sensing of natural features represented by layered media with rough interfaces. In particular, soil profiles are considered, for which a model of electromagnetic scattering from multilayer rough surfaces with or without buried random media is constructed. Starting from a single rough surface, radar scattering is modeled using the stabilized extended boundary condition method (SEBCM). This method solves the long-standing instability issue of the classical EBCM, and gives three-dimensional full wave solutions over large ranges of surface roughnesses with higher computational efficiency than pure numerical solutions, e.g., method of moments (MoM). Based on this single surface solution, multilayer rough surface scattering is modeled using the scattering matrix approach and the model is used for a comprehensive sensitivity analysis of the total ground scattering as a function of layer separation, subsurface statistics, and sublayer dielectric properties. The buried inhomogeneities such as rocks and vegetation roots are considered for the first time in the forward scattering model. Radar scattering from buried random media is modeled by the aggregate transition matrix using either the recursive transition matrix approach for spherical or short-length cylindrical scatterers, or the generalized iterative extended boundary condition method we developed for long cylinders or root-like cylindrical clusters. These approaches take the field interactions among scatterers into account with high computational efficiency. The aggregate transition matrix is transformed to a scattering matrix for the full solution to the layered-medium problem. This step is based on the near-to-far field transformation of the numerical plane wave expansion of the spherical harmonics and the multipole expansion of plane waves. This transformation consolidates volume scattering from the buried random medium with the scattering from layered structure in general. Combined with scattering from multilayer rough surfaces, scattering contributions from subsurfaces and vegetation roots can be then simulated. Solutions of both the rough surface scattering and random media scattering are validated numerically, experimentally, or both. The experimental validations have been carried out using a laboratory-based transmit-receive system for scattering from random media and a new bistatic tower-mounted radar system for field-based surface scattering measurements.

Quasi-two-dimensional spin and phonon excitations in La 1.965Ba 0.035CuO 4

DOE PAGES

Wagman, J. J.; Parshall, D.; Stone, Matthew B.; ...

2015-06-03

Here, we present time-of-fight inelastic neutron scattering measurements of La 1.965Ba 0.035CuO 4 (LBCO), a lightly doped member of the high temperature superconducting La-based cuprate family. By using time-of-flight neutron instrumentation coupled with single crystal sample rotation we obtain a four-dimensional data set (three Q and one energy) that is both comprehensive and spans a large region of reciprocal space. Our measurements identify rich structure in the energy dependence of the highly dispersive spin excitations, which are centered at equivalent (1/2, 1/2, L) wave-vectors. These structures correlate strongly with several crossings of the spin excitations with the lightly dispersive phononsmore » found in this system. These eects are signicant and account for on the order of 25% of the total inelastic scattering for energies between ≈5 and 40meV at low |Q|. Interestingly, this scattering also presents little or no L-dependence. As the phonons and dispersive spin excitations centred at equivalent (1/2, 1/2, L) wave-vectors are common to all members of La-based 214 copper oxides, we conclude such strong quasi-two dimensional scattering enhancements are likely to occur in all such 214 families of materials, including those concentrations corresponding to superconducting ground states. Such a phenomenon appears to be a fundamental characteristic of these materials and is potentially related to superconducting pairing.« less

Blind source separation based on time-frequency morphological characteristics for rigid acoustic scattering by underwater objects

NASA Astrophysics Data System (ADS)

Yang, Yang; Li, Xiukun

2016-06-01

Separation of the components of rigid acoustic scattering by underwater objects is essential in obtaining the structural characteristics of such objects. To overcome the problem of rigid structures appearing to have the same spectral structure in the time domain, time-frequency Blind Source Separation (BSS) can be used in combination with image morphology to separate the rigid scattering components of different objects. Based on a highlight model, the separation of the rigid scattering structure of objects with time-frequency distribution is deduced. Using a morphological filter, different characteristics in a Wigner-Ville Distribution (WVD) observed for single auto term and cross terms can be simplified to remove any cross-term interference. By selecting time and frequency points of the auto terms signal, the accuracy of BSS can be improved. An experimental simulation has been used, with changes in the pulse width of the transmitted signal, the relative amplitude and the time delay parameter, in order to analyzing the feasibility of this new method. Simulation results show that the new method is not only able to separate rigid scattering components, but can also separate the components when elastic scattering and rigid scattering exist at the same time. Experimental results confirm that the new method can be used in separating the rigid scattering structure of underwater objects.

Photovoltaic structures having a light scattering interface layer and methods of making the same

DOEpatents

Liu, Xiangxin; Compaan, Alvin D.; Paudel, Naba Raj

2015-10-13

Photovoltaic (PV) cell structures having an integral light scattering interface layer configured to diffuse or scatter light prior to entering a semiconductor material and methods of making the same are described.

Investigating the Mechanism of Reversible Lithium Insertion into Anti-NASICON Fe 2(WO 4) 3

DOE PAGES

Barim, Gozde; Cottingham, Patrick; Zhou, Shiliang; ...

2017-03-07

The gram-scale preparation of Fe 2(WO 4) 3 by a new solution-based route and detailed characterization of the material are presented. The resulting Fe 2(WO 4) 3 undergoes a reversible electrochemical reaction against lithium centered around 3.0 V with capacities near 93% of the theoretical maximum. Evolution of the Fe 2(WO 4) 3 structure upon lithium insertion and deinsertion is probed using a battery of characterization techniques, including in situ X-ray diffraction, neutron total scattering, and X-ray absorption spectroscopy (XAS). A structural transformation from monoclinic to orthorhombic phases is confirmed during lithium intercalation. XAS and neutron total scattering measurements verifymore » that Fe 2(WO 4) 3 consists of trivalent iron and hexavalent tungsten ions. As lithium ions are inserted into the framework, iron ions are reduced to the divalent state, while the tungsten ions are electrochemically inactive and remain in the hexavalent state. Lastly, lithium insertion occurs via a concerted rotation of the rigid polyhedra in the host lattice driven by electrostatic interactions with the Li + ions; the magnitude of these polyhedral rotations was found to be slightly larger for Fe 2(WO 4) 3 than for the Fe 2(MoO 4) 3 analog.« less

Investigating the Mechanism of Reversible Lithium Insertion into Anti-NASICON Fe 2(WO 4) 3

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

Barim, Gozde; Cottingham, Patrick; Zhou, Shiliang

The gram-scale preparation of Fe 2(WO 4) 3 by a new solution-based route and detailed characterization of the material are presented. The resulting Fe 2(WO 4) 3 undergoes a reversible electrochemical reaction against lithium centered around 3.0 V with capacities near 93% of the theoretical maximum. Evolution of the Fe 2(WO 4) 3 structure upon lithium insertion and deinsertion is probed using a battery of characterization techniques, including in situ X-ray diffraction, neutron total scattering, and X-ray absorption spectroscopy (XAS). A structural transformation from monoclinic to orthorhombic phases is confirmed during lithium intercalation. XAS and neutron total scattering measurements verifymore » that Fe 2(WO 4) 3 consists of trivalent iron and hexavalent tungsten ions. As lithium ions are inserted into the framework, iron ions are reduced to the divalent state, while the tungsten ions are electrochemically inactive and remain in the hexavalent state. Lastly, lithium insertion occurs via a concerted rotation of the rigid polyhedra in the host lattice driven by electrostatic interactions with the Li + ions; the magnitude of these polyhedral rotations was found to be slightly larger for Fe 2(WO 4) 3 than for the Fe 2(MoO 4) 3 analog.« less

Double scattering of light from Biophotonic Nanostructures with short-range order

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

Noh, Heeso; Liew, Seng Fatt; Saranathan, Vinodkumar

2010-07-28

We investigate the physical mechanism for color production by isotropic nanostructures with short-range order in bird feather barbs. While the primary peak in optical scattering spectra results from constructive interference of singly-scattered light, many species exhibit secondary peaks with distinct characteristic. Our experimental and numerical studies show that these secondary peaks result from double scattering of light by the correlated structures. Without an analog in periodic or random structures, such a phenomenon is unique for short-range ordered structures, and has been widely used by nature for non-iridescent structural coloration.

Rainbows, supernumerary rainbows and interference effects in the angular scattering of chemical reactions: an investigation using Heisenberg's S matrix programme.

PubMed

Shan, Xiao; Xiahou, Chengkui; Connor, J N L

2018-01-03

In earlier research, we have demonstrated that broad "hidden" rainbows can occur in the product differential cross sections (DCSs) of state-to-state chemical reactions. Here we ask the question: can pronounced and localized rainbows, rather than broad hidden ones, occur in reactive DCSs? Further motivation comes from recent measurements by H. Pan and K. Liu, J. Phys. Chem. A, 2016, 120, 6712, of a "bulge" in a reactive DCS, which they conjecture is a rainbow. Our theoretical approach uses a "weak" version of Heisenberg's scattering matrix program (wHSMP) introduced by X. Shan and J. N. L. Connor, Phys. Chem. Chem. Phys., 2011, 13, 8392. This wHSMP uses four general physical principles for chemical reactions to suggest simple parameterized forms for the S matrix; it does not employ a potential energy surface. We use a parameterization in which the modulus of the S matrix is a smooth-step function of the total angular momentum quantum number, J, and (importantly) its phase is a cubic polynomial in J. We demonstrate for a Legendre partial wave series (PWS) the existence of pronounced rainbows, supernumerary rainbows, and other interference effects, in reactive DCSs. We find that reactive rainbows can be more complicated in their structure than the familiar rainbows of elastic scattering. We also analyse the angular scattering using Nearside-Farside (NF) PWS theory and NF PWS Local Angular Momentum (LAM) theory, including resummations of the PWS. In addition, we apply full and NF asymptotic (semiclassical) rainbow theories to the PWS - in particular, the uniform Airy and transitional Airy approximations for the farside scattering. This lets us prove that structure in the DCSs are indeed rainbows, supernumerary rainbows as well as other interference effects.

Scattering from thin dielectric straps surrounding a perfectly conducting structure

NASA Technical Reports Server (NTRS)

Al-Hekail, Zeyad; Gupta, Inder J.

1989-01-01

A method to calculate the electromagnetic scattered fields from a dielectric strap wrapped around convex, conducting structure is presented. A moment method technique is used to find the current excited within the strap by the incident plane wave. Then, Uniform Geometrical Theory of Diffraction (UTD) is used to compute the fields scattered by the strap. Reasonable agreement was obtained between the computed and the measured results. The results found in this study are useful in evaluating straps as a target support structure for scattering measurements.

P(P bar)P elastic scattering and cosmic ray data

NASA Technical Reports Server (NTRS)

FAZAL-E-ALEEM; Saleem, M.

1985-01-01

It is shown that the total cross section for pp elastic scattering at cosmic ray energies, as well as the total cross section, the slope parameter b(s,t) and the differential cross section for small momentum transfer at ISR and collider energies for p(p)p elastic scattering can be simultaneously fitted by using a simple Regge pole model. The results of this theory is discussed in detail.

Mineralogy of Iron Microbial Mats from Loihi Seamount

PubMed Central

Toner, Brandy M.; Berquó, Thelma S.; Michel, F. Marc; Sorensen, Jeffry V.; Templeton, Alexis S.; Edwards, Katrina J.

2011-01-01

Extensive mats of Fe oxyhydroxides and associated Fe-oxidizing microbial organisms form in diverse geochemical settings – freshwater seeps to deep-sea vents – where ever opposing Fe(II)-oxygen gradients prevail. The mineralogy, reactivity, and structural transformations of Fe oxyhydroxides precipitated from submarine hydrothermal fluids within microbial mats remains elusive in active and fossil systems. In response, a study of Fe microbial mat formation at the Loihi Seamount was conducted to describe the physical and chemical characteristics of Fe-phases using extended X-ray absorption fine structure spectroscopy, powder X-ray diffraction, synchrotron radiation X-ray total scattering, low-temperature magnetic measurements, and Mössbauer spectroscopy. Particle sizes of 3.5–4.6 nm were estimated from magnetism data, and coherent scattering domain (CSD) sizes as small as 1.6 nm are indicated by pair distribution function (PDF) analysis. Disorder in the nanostructured Fe-bearing phases results in limited intermediate-range structural order: less than that of standard two-line ferrihydrite (Fh), except for the Pohaku site. The short-range ordered natural Fh (FhSRO) phases were stable at 4°C in the presence of oxygen for at least 1 year and during 400°C treatment. The observed stability of the FhSRO is consistent with magnetic observations that point to non-interacting nanoparticles. PDF analyses of total scattering data provide further evidence for FhSRO particles with a poorly ordered silica coating. The presence of coated particles explains the small CSD for the mat minerals, as well as the stability of the minerals over time and against heating. The mineral properties observed here provide a starting point from which progressively older and more extensively altered Fe deposits may be examined, with the ultimate goal of improved interpretation of past biogeochemical conditions and diagenetic processes. PMID:22485113

Electron scattering at interfaces in nano-scale vertical interconnects: A combined experimental and ab initio study

NASA Astrophysics Data System (ADS)

Lanzillo, Nicholas A.; Restrepo, Oscar D.; Bhosale, Prasad S.; Cruz-Silva, Eduardo; Yang, Chih-Chao; Youp Kim, Byoung; Spooner, Terry; Standaert, Theodorus; Child, Craig; Bonilla, Griselda; Murali, Kota V. R. M.

2018-04-01

We present a combined theoretical and experimental study on the electron transport characteristics across several representative interface structures found in back-end-of-line interconnect stacks for advanced semiconductor manufacturing: Cu/Ta(N)/Co/Cu and Cu/Ta(N)/Ru/Cu. In particular, we evaluate the impact of replacing a thin TaN barrier with Ta while considering both Co and Ru as wetting layers. Both theory and experiment indicate a pronounced reduction in vertical resistance when replacing TaN with Ta, regardless of whether a Co or Ru wetting layer is used. This indicates that a significant portion of the total vertical resistance is determined by electron scattering at the Cu/Ta(N) interface. The electronic structure of these nano-sized interconnects is analyzed in terms of the atom-resolved projected density of states and k-resolved transmission spectra at the Fermi level. This work further develops a fundamental understanding of electron transport and material characteristics in nano-sized interconnects.

Measurement of the nucleon structure function F 2 in the nuclear medium and evaluation of its moments

DOE PAGES

Osipenko, M.

2010-06-01

We report on the measurement of inclusive electron scattering off a carbon target performed with CLAS at Jefferson Laboratory. A combination of three different beam energies 1.161, 2.261 and 4.461 GeV allowed us to reach an invariant mass of the final-state hadronic system W ≈ 2.4 GeV with four-momentum transfers Q 2 ranging from 0.2 to 5 GeV 2. These data, together with previous measurements of the inclusive electron scattering off proton and deuteron, which cover a similar continuous two-dimensional region of Q 2 and Bjorken variable x, permit the study of nuclear modifications of the nucleon structure. By usingmore » these, as well as other world data, we evaluated the F 2 structure function and its moments. Using an OPE-based twist expansion, we studied the Q 2-evolution of the moments, obtaining a separation of the leading-twist and the total higher-twist terms. The carbon-to-deuteron ratio of the leading-twist contributions to the F 2 moments exhibits the well known EMC effect, compatible with that discovered previously in x-space. The total higher-twist term in the carbon nucleus appears, although with large systematic uncertainites, to be smaller with respect to the deuteron case for n < 7, suggesting partial parton deconfinement in nuclear matter. Lastly, we speculate that the spatial extension of the nucleon is changed when it is immersed in the nuclear medium.« less

Band gap structures for 2D phononic crystals with composite scatterer

NASA Astrophysics Data System (ADS)

Qi, Xiao-qiao; Li, Tuan-jie; Zhang, Jia-long; Zhang, Zhen; Tang, Ya-qiong

2018-05-01

We investigated the band gap structures in two-dimensional phononic crystals with composite scatterer. The composite scatterers are composed of two materials (Bragg scattering type) or three materials (locally resonance type). The finite element method is used to calculate the band gap structure, eigenmodes and transmission spectrum. The variation of the location and width of band gap are also investigated as a function of material ratio in the scatterer. We have found that the change trends the widest band gap of the two phononic crystals are different as the material ratio changing. In addition to this, there are three complete band gaps at most for the Bragg-scattering-type phononic crystals in the first six bands; however, the locally resonance-type phononic crystals exist only two complete band gap at most in the first six bands. The gap-tuning effect can be controlled by the material ratio in the scatterer.

Total electron scattering cross sections of some important biomolecules at 0.2-6.0 keV energies

NASA Astrophysics Data System (ADS)

Gurung, Meera Devi; Ariyasinghe, W. M.

2017-12-01

The total electron scattering cross sections (TCS) of five nucleic bases (adenine, cytosine, guanine, thymine and uracil), phosphoric acid, three amino acids (glycine, lysine, and L-histidine), D-glucose, alpha-D-glucose, tetrahydropyran (THP), 3-hydroxytetrahydrofuran and furan have been determined in the energy range 0.2-6.0 keV using a simple model based on the effective atomic total electron scattering cross sections (EATCS). The reliability of the model is confirmed by comparing the determined TCS with the predictions of those by existing theoretical models.

The inverse problem of acoustic wave scattering by an air-saturated poroelastic cylinder.

PubMed

Ogam, Erick; Fellah, Z E A; Baki, Paul

2013-03-01

The efficient use of plastic foams in a diverse range of structural applications like in noise reduction, cushioning, and sleeping mattresses requires detailed characterization of their permeability and deformation (load-bearing) behavior. The elastic moduli and airflow resistance properties of foams are often measured using two separate techniques, one employing mechanical vibration methods and the other, flow rates of fluids based on fluid mechanics technology, respectively. A multi-parameter inverse acoustic scattering problem to recover airflow resistivity (AR) and mechanical properties of an air-saturated foam cylinder is solved. A wave-fluid saturated poroelastic structure interaction model based on the modified Biot theory and plane-wave decomposition using orthogonal cylindrical functions is employed to solve the inverse problem. The solutions to the inverse problem are obtained by constructing the objective functional given by the total square of the difference between predictions from the model and scattered acoustic field data acquired in an anechoic chamber. The value of the recovered AR is in good agreement with that of a slab sample cut from the cylinder and characterized using a method employing low frequency transmitted and reflected acoustic waves in a long waveguide developed by Fellah et al. [Rev. Sci. Instrum. 78(11), 114902 (2007)].

Plum pudding random medium model of biological tissue toward remote microscopy from spectroscopic light scattering

PubMed Central

Xu, Min

2017-01-01

Biological tissue has a complex structure and exhibits rich spectroscopic behavior. There has been no tissue model until now that has been able to account for the observed spectroscopy of tissue light scattering and its anisotropy. Here we present, for the first time, a plum pudding random medium (PPRM) model for biological tissue which succinctly describes tissue as a superposition of distinctive scattering structures (plum) embedded inside a fractal continuous medium of background refractive index fluctuation (pudding). PPRM faithfully reproduces the wavelength dependence of tissue light scattering and attributes the “anomalous” trend in the anisotropy to the plum and the powerlaw dependence of the reduced scattering coefficient to the fractal scattering pudding. Most importantly, PPRM opens up a novel venue of quantifying the tissue architecture and microscopic structures on average from macroscopic probing of the bulk with scattered light alone without tissue excision. We demonstrate this potential by visualizing the fine microscopic structural alterations in breast tissue (adipose, glandular, fibrocystic, fibroadenoma, and ductal carcinoma) deduced from noncontact spectroscopic measurement. PMID:28663913

Room scatter effects in Total Skin Electron Irradiation: Monte Carlo simulation study.

PubMed

Nevelsky, Alexander; Borzov, Egor; Daniel, Shahar; Bar-Deroma, Raquel

2017-01-01

Total Skin Electron Irradiation (TSEI) is a complex technique which usually involves the use of large electron fields and the dual-field approach. In this situation, many electrons scattered from the treatment room floor are produced. However, no investigations of the effect of scattered electrons in TSEI treatments have been reported. The purpose of this work was to study the contribution of floor scattered electrons to skin dose during TSEI treatment using Monte Carlo (MC) simulations. All MC simulations were performed with the EGSnrc code. Influence of beam energy, dual-field angle, and floor material on the contribution of floor scatter was investigated. Spectrum of the scattered electrons was calculated. Measurements of dose profile were performed in order to verify MC calculations. Floor scatter dependency on the floor material was observed (at 20 cm from the floor, scatter contribution was about 21%, 18%, 15%, and 12% for iron, concrete, PVC, and water, respectively). Although total dose profiles exhibited slight variation as functions of beam energy and dual-field angle, no dependence of the floor scatter contribution on the beam energy or dual-field angle was found. The spectrum of the scattered electrons was almost uniform between a few hundred KeV to 4 MeV, and then decreased linearly to 6 MeV. For the TSEI technique, dose contribution due to the electrons scattered from the room floor may be clinically significant and should be taken into account during design and commissioning phases. MC calculations can be used for this task. © 2017 The Authors. Journal of Applied Clinical Medical Physics published by Wiley Periodicals, Inc. on behalf of American Association of Physicists in Medicine.

A cosmic gamma-ray burst on May 14, 1975

NASA Technical Reports Server (NTRS)

Herzo, D.; Dayton, B.; Zych, A. D.; White, R. S.

1975-01-01

A cosmic gamma-ray burst is reported that occurred at 29309.11 s UTC, May 14, 1975. The burst was detected at an atmospheric depth of 4 g/sq cm residual atmosphere with the University of California double scatter gamma-ray telescope launched on a balloon from Palestine, Texas at 1150 UTC, May 13, 1975. The burst was observed both in the single scatter mode by the top liquid scintillator tank in anti-coincidence with the surrounding plastic scintillator and in the double scatter mode from which energy and directional information are obtained. The burst is 24 standard deviations above the background for single scatter events. The total gamma-ray flux in the burst, incident on the atmosphere with photon energy greater than 0.5 MeV, is 0.59 + or - 0.15 photons/sq cm. The initial rise time to 90% of maximum is 0.015 + or - 0.005 s and the duration is 0.11 s. Time structure down to the 5 ms resolution of the telescope is seen. The mean flux over this time period is 5.0 + or - 1.3 photons/sq cm/s and the maximum flux is 8.5 + or - 2.1 photons/sq cm/s.

A novel liquid-filled microstructured polymer optical fiber as bio-sensing platform for Raman spectroscopy

NASA Astrophysics Data System (ADS)

Azkune, Mikel; Arrospide, Eneko; Berganza, Amaia; Bikandi, Iñaki; Aldabaldetreku, Gotzon; Durana, Gaizka; Zubia, Joseba

2018-02-01

One approach to overcome the poor efficiency of the Raman scattering as a sensing platform is to use microstructured optical fibers. In this type of fibers with a longitudinal holey structure, light interacts with the target sample, which is confined in the core, giving rise to a light intensity increase of the obtained Raman spectra due to the large interaction distances and the guidance of the scattered light. In this work, we present an ad-hoc fabricated liquid-core microstructured polymer optical fiber (LC-mPOF) as a bio-sensing platform for Raman Spectroscopy. Arising from an initial simulation stage, we create the desired preform using the drilling technique and afterwards the LC-mPOF is drawn in our fiber drawing tower. The guiding mechanism of the light through the solution has a major importance, being a key factor to obtain appreciable enhancements in Raman scattering. In this case, in order to optimize the Raman scattering signal of dissolved glucose (target molecule), we have filled the core with an aqueous solution of the target molecule, enabling in this way the modified total internal reflection mechanism. Experimental Raman measurements are performed and results are discussed.

Classical And Quantum Rainbow Scattering From Surfaces

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

Winter, H.; Schueller, A.; Busch, M.

2011-06-01

The structure of clean and adsorbate covered surfaces as well as of ultrathin films can be investigated by grazing scattering of fast atoms. We present two recent experimental techniques which allow one to study the structure of ordered arrangements of surface atoms in detail. (1) Rainbow scattering under axial surface channeling conditions, and (2) fast atom diffraction. Our examples demonstrate the attractive features of grazing fast atom scattering as a powerful analytical tool in studies on the structure of surfaces. We will concentrate our discussion on the structure of ultrathin silica films on a Mo(112) surface and of adsorbed oxygenmore » atoms on a Fe(110) surface.« less

Acoustic Scattering Classification of Zooplankton and Microstructure

DTIC Science & Technology

2002-09-30

the scattering in different areas. In some cases, siphonophores dominated the scattering; in other cases, euphausiids were the dominant scatterers...juvenile form of siphonophores ) through the use of BIOMAPER-II acoustics and video systems. Because of their fragility, these organisms are...scattering strength, total biomass, siphonophore abundance, and water temperature, throughout the water column in a one-hour section of a transect

Electromagnetic Scattering Analysis of Large Size Asteroids/Comets for Reflection/Transmission Tomography (RTT)

NASA Technical Reports Server (NTRS)

Deshpande, Manohar

2011-01-01

A precise knowledge of the interior structure of asteroids, comets, and Near Earth Objects (NEO) is important to assess the consequences of their impacts with the Earth and develop efficient mitigation strategies. Knowledge of their interior structure also provides opportunities for extraction of raw materials for future space activities. Low frequency radio sounding is often proposed for investigating interior structures of asteroids and NEOs. For designing and optimizing radio sounding instrument it is advantageous to have an accurate and efficient numerical simulation model of radio reflection and transmission through large size bodies of asteroid shapes. In this presentation we will present electromagnetic (EM) scattering analysis of electrically large size asteroids using (1) a weak form formulation and (2) also a more accurate hybrid finite element method/method of moments (FEM/MOM) to help estimate their internal structures. Assuming the internal structure with known electrical properties of a sample asteroid, we first develop its forward EM scattering model. From the knowledge of EM scattering as a function of frequency and look angle we will then present the inverse scattering procedure to extract its interior structure image. Validity of the inverse scattering procedure will be presented through few simulation examples.

Bringing diffuse X-ray scattering into focus

DOE PAGES

Wall, Michael E.; Wolff, Alexander M.; Fraser, James S.

2018-02-16

X-ray crystallography is experiencing a renaissance as a method for probing the protein conformational ensemble. The inherent limitations of Bragg analysis, however, which only reveals the mean structure, have given way to a surge in interest in diffuse scattering, which is caused by structure variations. Diffuse scattering is present in all macromolecular crystallography experiments. Recent studies are shedding light on the origins of diffuse scattering in protein crystallography, and provide clues for leveraging diffuse scattering to model protein motions with atomic detail.

Bringing diffuse X-ray scattering into focus

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

Wall, Michael E.; Wolff, Alexander M.; Fraser, James S.

X-ray crystallography is experiencing a renaissance as a method for probing the protein conformational ensemble. The inherent limitations of Bragg analysis, however, which only reveals the mean structure, have given way to a surge in interest in diffuse scattering, which is caused by structure variations. Diffuse scattering is present in all macromolecular crystallography experiments. Recent studies are shedding light on the origins of diffuse scattering in protein crystallography, and provide clues for leveraging diffuse scattering to model protein motions with atomic detail.

X-ray and Neutron Scattering Study of the Formation of Core–Shell-Type Polyoxometalates

DOE PAGES

Yin, Panchao; Wu, Bin; Mamontov, Eugene; ...

2016-02-05

A typical type of core-shell polyoxometalates can be obtained through the Keggin-type polyoxometalate-templated growth of a layer of spherical shell structure of {Mo 72Fe 30}. Small angle X-ray scattering is used to study the structural features and stability of the core-shell structures in aqueous solutions. Time-resolved small angle X-ray scattering is applied to monitor the synthetic reactions and a three-stage formation mechanism is proposed to describe the synthesis of the core-shell polyoxometalates based on the monitoring results. Quasi-elastic and inelastic neutron scattering are used to probe the dynamics of water molecules in the core-shell structures and two different types ofmore » water molecules, the confined and structured water, are observed. These water molecules play an important role in bridging core and shell structures and stabilizing the cluster structures. A typical type of core shell polyoxometalates can be obtained through the Keggin-type polyoxometalate-templated growth of a layer of spherical shell structure of {Mo 72Fe 30}. Small-angle X-ray scattering is used to study the structural features and stability of the core shell structures in aqueous solutions. Time-resolved small-angle X-ray scattering is applied to monitor the synthetic reactions, and a three-stage formation mechanism is proposed to describe the synthesis of the core shell polyoxometalates based on the monitoring results. New protocols have been developed by fitting the X-ray data with custom physical models, which provide more convincing, objective, and completed data interpretation. Quasi-elastic and inelastic neutron scattering are used to probe the dynamics of water molecules in the core shell structures, and two different types of water molecules, the confined and structured water, are observed. These water molecules play an important role in bridging core and shell structures and stabilizing the cluster structures.« less

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

NASA Technical Reports Server (NTRS)

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.

Miracles in Scattering Amplitudes: from QCD to Gravity

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

Volovich, Anastasia

2016-10-09

The goal of my research project "Miracles in Scattering Amplitudes: from QCD to Gravity" involves deepening our understanding of gauge and gravity theories by exploring hidden structures in scattering amplitudes and using these rich structures as much as possible to aid practical calculations.

Dark matter phenomenology of high-speed galaxy cluster collisions

DOE PAGES

Mishchenko, Yuriy; Ji, Chueng-Ryong

2017-07-29

Here, we perform a general computational analysis of possible post-collision mass distributions in high-speed galaxy cluster collisions in the presence of self-interacting dark matter. Using this analysis, we show that astrophysically weakly self-interacting dark matter can impart subtle yet measurable features in the mass distributions of colliding galaxy clusters even without significant disruptions to the dark matter halos of the colliding galaxy clusters themselves. Most profound such evidence is found to reside in the tails of dark matter halos’ distributions, in the space between the colliding galaxy clusters. Such features appear in our simulations as shells of scattered dark mattermore » expanding in alignment with the outgoing original galaxy clusters, contributing significant densities to projected mass distributions at large distances from collision centers and large scattering angles of up to 90°. Our simulations indicate that as much as 20% of the total collision’s mass may be deposited into such structures without noticeable disruptions to the main galaxy clusters. Such structures at large scattering angles are forbidden in purely gravitational high-speed galaxy cluster collisions.Convincing identification of such structures in real colliding galaxy clusters would be a clear indication of the self-interacting nature of dark matter. Our findings may offer an explanation for the ring-like dark matter feature recently identified in the long-range reconstructions of the mass distribution of the colliding galaxy cluster CL0024+017.« less

Dark matter phenomenology of high-speed galaxy cluster collisions

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

Mishchenko, Yuriy; Ji, Chueng-Ryong

Here, we perform a general computational analysis of possible post-collision mass distributions in high-speed galaxy cluster collisions in the presence of self-interacting dark matter. Using this analysis, we show that astrophysically weakly self-interacting dark matter can impart subtle yet measurable features in the mass distributions of colliding galaxy clusters even without significant disruptions to the dark matter halos of the colliding galaxy clusters themselves. Most profound such evidence is found to reside in the tails of dark matter halos’ distributions, in the space between the colliding galaxy clusters. Such features appear in our simulations as shells of scattered dark mattermore » expanding in alignment with the outgoing original galaxy clusters, contributing significant densities to projected mass distributions at large distances from collision centers and large scattering angles of up to 90°. Our simulations indicate that as much as 20% of the total collision’s mass may be deposited into such structures without noticeable disruptions to the main galaxy clusters. Such structures at large scattering angles are forbidden in purely gravitational high-speed galaxy cluster collisions.Convincing identification of such structures in real colliding galaxy clusters would be a clear indication of the self-interacting nature of dark matter. Our findings may offer an explanation for the ring-like dark matter feature recently identified in the long-range reconstructions of the mass distribution of the colliding galaxy cluster CL0024+017.« less

Time-of-flight scattering and recoiling spectrometer (TOF-SARS) for surface analysis

NASA Astrophysics Data System (ADS)

Grizzi, O.; Shi, M.; Bu, H.; Rabalais, J. W.

1990-02-01

A UHV spectrometer system has been designed and constructed for time-of-flight scattering and recoiling spectrometry (TOF-SARS). The technique uses a pulsed primary ion beam and TOF methods for analysis of both scattered and recoiled neutrals (N) and ions (I) simultaneously with continuous scattering angle variation over a flight path of ≊1 m. The pulsed ion beam line uses an electron impact ionization source with acceleration up to 5 keV; pulse widths down to 20 ns with average current densities of 0.05-5.0 nA/mm2 have been obtained. Typical current densities used herein are ≊0.1 nA/mm2 and TOF spectra can be collected with a total ion dose of <10-3 ions/surface atom. A channel electron multiplier detector, which is sensitive to both ions and fast neutrals, is mounted on a long tube connected to a precision rotary motion feedthru, allowing continuous rotation over a scattering angular range 0°<θ<165°. The sample is mounted on a precision manipulator, allowing azimuthal δ and incident α angle rotation, as well as translation along three orthogonal axes. The system also accommodates standard surface analysis instrumentation for LEED, AES, XPS, and UPS. The capabilities of the system are demonstrated by the following examples: (A) TOF spectra versus scattering angle θ; (B) comparison to LEED and AES; (C) surface and adsorbate structure determinations; (D) monitoring surface roughness; (E) surface semichanneling measurements; (F) measurements of scattered ion fractions; and (G) ion induced Auger electron emission.

Pair distribution functions of amorphous organic thin films from synchrotron X-ray scattering in transmission mode

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

Shi, Chenyang; Teerakapibal, Rattavut; Yu, Lian

2017-07-10

Using high-brilliance high-energy synchrotron X-ray radiation, for the first time the total scattering of a thin organic glass film deposited on a strongly scattering inorganic substrate has been measured in transmission mode. The organic thin film was composed of the weakly scattering pharmaceutical substance indomethacin in the amorphous state. The film was 130 µm thick atop a borosilicate glass substrate of equal thickness. The atomic pair distribution function derived from the thin-film measurement is in excellent agreement with that from bulk measurements. This ability to measure the total scattering of amorphous organic thin films in transmission will enable accuratein situstructuralmore » studies for a wide range of materials.« less

Fine structure of the giant M1 resonance in 90Zr.

PubMed

Rusev, G; Tsoneva, N; Dönau, F; Frauendorf, S; Schwengner, R; Tonchev, A P; Adekola, A S; Hammond, S L; Kelley, J H; Kwan, E; Lenske, H; Tornow, W; Wagner, A

2013-01-11

The M1 excitations in the nuclide 90Zr have been studied in a photon-scattering experiment with monoenergetic and linearly polarized beams from 7 to 11 MeV. More than 40 J(π)=1+ states have been identified from observed ground-state transitions, revealing the fine structure of the giant M1 resonance with a centroid energy of 9 MeV and a sum strength of 4.17(56) μ(N)(2). The result for the total M1 strength and its fragmentation are discussed in the framework of the three-phonon quasiparticle-phonon model.

Structure and Dynamics of Interfaces: Drops and Films

NASA Technical Reports Server (NTRS)

Mann, J. Adin, Jr.; Mann, Elizabeth K.; Meyer, William V.; Neumann, A. Wilhelm; Tavana, Hossein

2015-01-01

We aim to acquire measurements of the structure and dynamics of certain liquid-fluid interfaces using an ensemble of techniques in collaboration: (1) Total internal reflection (TIR) Surface light scattering spectroscopy (SLSS), (2) Brewster angle microscopy (BAM), and (3) Drop-shape analysis. SLSS and BAM can be done on a shared interfacial footprint. Results using a 50-50 mixture of pentane-isohexane, which extends the range of NASA's Confined Vapor Bubble (CVB) experiment, yield surface tension results that differ from the expected Langmuir Fit. These results were confirmed using both the SLSS and drop-shape analysis approaches.

Reliable structural interpretation of small-angle scattering data from bio-molecules in solution--the importance of quality control and a standard reporting framework.

PubMed

Jacques, David A; Guss, Jules Mitchell; Trewhella, Jill

2012-05-17

Small-angle scattering is becoming an increasingly popular tool for the study of bio-molecular structures in solution. The large number of publications with 3D-structural models generated from small-angle solution scattering data has led to a growing consensus for the need to establish a standard reporting framework for their publication. The International Union of Crystallography recently established a set of guidelines for the necessary information required for the publication of such structural models. Here we describe the rationale for these guidelines and the importance of standardising the way in which small-angle scattering data from bio-molecules and associated structural interpretations are reported.

Precancerous esophageal epithelia are associated with significantly increased scattering coefficients

PubMed Central

Su, Jing-Wei; Lin, Yang-Hsien; Chiang, Chun-Ping; Lee, Jang-Ming; Hsieh, Chao-Mao; Hsieh, Min-Shu; Yang, Pei-Wen; Wang, Chen-Ping; Tseng, Ping-Huei; Lee, Yi-Chia; Sung, Kung-Bin

2015-01-01

The progression of epithelial precancers into cancer is accompanied by changes of tissue and cellular structures in the epithelium. Correlations between the structural changes and scattering coefficients of esophageal epithelia were investigated using quantitative phase images and the scattering-phase theorem. An ex vivo study of 14 patients demonstrated that the average scattering coefficient of precancerous epithelia was 37.8% higher than that of normal epithelia from the same patient. The scattering coefficients were highly correlated with morphological features including the cell density and the nuclear-to-cytoplasmic ratio. A high interpatient variability in scattering coefficients was observed and suggests identifying precancerous lesions based on the relative change in scattering coefficients. PMID:26504630

Complete solution of electronic excitation and ionization in electron-hydrogen molecule scattering

DOE PAGES

Zammit, Mark C.; Savage, Jeremy S.; Fursa, Dmitry V.; ...

2016-06-08

The convergent close-coupling method has been used to solve the electron-hydrogen molecule scattering problem in the fixed-nuclei approximation. Excellent agreement with experiment is found for the grand total, elastic, electronic-excitation, and total ionization cross sections from the very low to the very high energies. This shows that for the electronic degrees of freedom the method provides a complete treatment of electron scattering on molecules as it does for atoms.

High-energy photon-hadron scattering in holographic QCD

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

Nishio, Ryoichi; Institute for the Physics and Mathematics of the Universe, University of Tokyo, Kashiwano-ha 5-1-5, 277-8583; Watari, Taizan

2011-10-01

This article provides an in-depth look at hadron high-energy scattering by using gravity dual descriptions of strongly coupled gauge theories. Just like deeply inelastic scattering (DIS) and deeply virtual Compton scattering (DVCS) serve as clean experimental probes into nonperturbative internal structure of hadrons, elastic scattering amplitude of a hadron and a (virtual) photon in gravity dual can be exploited as a theoretical probe. Since the scattering amplitude at sufficiently high energy (small Bjorken x) is dominated by parton contributions (=Pomeron contributions) even in strong coupling regime, there is a chance to learn a lesson for generalized parton distribution (GPD) bymore » using gravity dual models. We begin with refining derivation of the Brower-Polchinski-Strassler-Tan (BPST) Pomeron kernel in gravity dual, paying particular attention to the role played by the complex spin variable j. The BPST Pomeron on warped spacetime consists of a Kaluza-Klein tower of 4D Pomerons with nonlinear trajectories, and we clarify the relation between Pomeron couplings and the Pomeron form factor. We emphasize that the saddle-point value j* of the scattering amplitude in the complex j-plane representation is a very important concept in understanding qualitative behavior of the scattering amplitude. The total Pomeron contribution to the scattering is decomposed into the saddle-point contribution and at most a finite number of pole contributions, and when the pole contributions are absent (which we call saddle-point phase), kinematical variable (q,x,t)-dependence of ln(1/q) evolution and ln(1/x) evolution parameters {gamma}{sub eff} and {lambda}{sub eff} in DIS and t-slope parameter B of DVCS in HERA experiment are all reproduced qualitatively in gravity dual. All of these observations shed a new light on modeling of GPD. Straightforward application of those results to other hadron high-energy scattering is also discussed.« less

The artefacts of radiochromic film dosimetry with flatbed scanners and their causation by light scattering from radiation-induced polymers.

PubMed

Schoenfeld, Andreas A; Poppinga, Daniela; Harder, Dietrich; Doerner, Karl-Joachim; Poppe, Bjoern

2014-07-07

Optical experiments and theoretical considerations have been undertaken in order to understand the causes of the 'orientation effect' and the 'parabola effect', the artefacts impairing the desired light absorption measurement on radiochromic EBT3 films with flatbed scanners. EBT3 films exposed to doses up to 20.9 Gy were scanned with an Epson Expression 10000XL flatbed scanner in landscape and portrait orientation. The horizontally and vertically polarized light components of the scanner were determined, and another Epson Expression 10000XL flatbed scanner was disassembled to examine its optical components. The optical properties of exposed and unexposed EBT3 films were studied with incident polarized and unpolarized white light, and the transmitted red light was investigated for its polarization and scattering properties including the distribution of the scattering angles. Neutral density filters were studied for comparison. Guidance was sought from the theory of light scattering from rod-like macromolecular structures. The drastic dose-dependent variation of the transmitted total light current as function of the orientation of front and rear polarizers, interpreted by light scattering theory, shows that the radiation-induced polymerization of the monomers of EBT3 films produces light scattering oscillators preferably polarized at right angles with the coating direction of the film. The directional distribution of the scattered light is partly anisotropic, with a preferred scattering plane at right angles with the coating direction, indicating light scattering from stacks of coherently vibrating oscillators piled up along the monomer crystals. The polyester carrier film also participates in these effects. The 'orientation' and 'parabola' artefacts due to flatbed scanning of radiochromic films can be explained by the interaction of the polarization-dependent and anisotropic light scattering from exposed and unexposed EBT3 films with the quantitative difference between the scanner's horizontally and vertically polarized light supply and with the limited directional acceptance of the scanner's light recording system.

Characterization of Lorenz number with Seebeck coefficient measurement

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

Kim, Hyun-Sik; Materials Research Center, Samsung Advanced Institute of Technology, Samsung Electronics, Suwon 443-803; Gibbs, Zachary M.

2015-04-01

In analyzing zT improvements due to lattice thermal conductivity (κ{sub L}) reduction, electrical conductivity (σ) and total thermal conductivity (κ{sub Total}) are often used to estimate the electronic component of the thermal conductivity (κ{sub E}) and in turn κ{sub L} from κ{sub L} = ∼ κ{sub Total} − LσT. The Wiedemann-Franz law, κ{sub E} = LσT, where L is Lorenz number, is widely used to estimate κ{sub E} from σ measurements. It is a common practice to treat L as a universal factor with 2.44 × 10{sup −8} WΩK{sup −2} (degenerate limit). However, significant deviations from the degenerate limit (approximatelymore » 40% or more for Kane bands) are known to occur for non-degenerate semiconductors where L converges to 1.5 × 10{sup −8} WΩK{sup −2} for acoustic phonon scattering. The decrease in L is correlated with an increase in thermopower (absolute value of Seebeck coefficient (S)). Thus, a first order correction to the degenerate limit of L can be based on the measured thermopower, |S|, independent of temperature or doping. We propose the equation: L=1.5+exp[−(|S|)/(116) ] (where L is in 10{sup −8} WΩK{sup −2} and S in μV/K) as a satisfactory approximation for L. This equation is accurate within 5% for single parabolic band/acoustic phonon scattering assumption and within 20% for PbSe, PbS, PbTe, Si{sub 0.8}Ge{sub 0.2} where more complexity is introduced, such as non-parabolic Kane bands, multiple bands, and/or alternate scattering mechanisms. The use of this equation for L rather than a constant value (when detailed band structure and scattering mechanism is not known) will significantly improve the estimation of lattice thermal conductivity.« less

Total internal reflection and dynamic light scattering microscopy of gels

NASA Astrophysics Data System (ADS)

Gregor, Brian F.

Two different techniques which apply optical microscopy in novel ways to the study of biological systems and materials were built and applied to several samples. The first is a system for adapting the well-known technique of dynamic light scattering (DLS) to an optical microscope. This can detect and scatter light from very small volumes, as compared to standard DLS which studies light scattering from volumes 1000x larger. The small scattering volume also allows for the observation of nonergodic dynamics in appropriate samples. Porcine gastric mucin (PGM) forms a gel at low pH which lines the epithelial cell layer and acts as a protective barrier against the acidic stomach environment. The dynamics and microscopic viscosity of PGM at different pH levels is studied using polystyrene microspheres as tracer particles. The microscopic viscosity and microrheological properties of the commercial basement membrane Matrigel are also studied with this instrument. Matrigel is frequently used to culture cells and its properties remain poorly determined. Well-characterized and purely synthetic Matrigel substitutes will need to have the correct rheological and morphological characteristics. The second instrument designed and built is a microscope which uses an interferometry technique to achieve an improvement in resolution 2.5x better in one dimension than the Abbe diffraction limit. The technique is based upon the interference of the evanescent field generated on the surface of a prism by a laser in a total internal reflection geometry. The enhanced resolution is demonstrated with fluorescent samples. Additionally. Raman imaging microscopy is demonstrated using the evanescent field in resonant and non-resonant samples, although attempts at applying the enhanced resolution technique to the Raman images were ultimately unsuccessful. Applications of this instrument include high resolution imaging of cell membranes and macroscopic structures in gels and proteins. Finally, a third section incorporating previous research on simulations of complex fluids is included. Two dimensional simulations of oil, water, and surfactant mixtures were computed with a lattice gas method. The simulated systems were randomly mixed and then the temperature was quenched to a predetermined point. Spontaneous micellization is observed for a narrow range of temperature quenches, and the overall growth rate of macroscopic structure is found to follow a Vogel-Fulcher growth law.

Investigation of the structure of unilamellar dimyristoylphosphatidylcholine vesicles in aqueous sucrose solutions by small-angle neutron and X-ray scattering

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

Kiselev, M. A., E-mail: elena@jinr.ru; Zemlyanaya, E. V.; Zhabitskaya, E. I.

2015-01-15

The structure of a polydispersed population of unilamellar dimyristoylphosphatidylcholine (DMPC) vesicles in sucrose solutions has been investigated by small-angle neutron scattering (SANS) and small-angle X-ray scattering (SAXS). Calculations within the model of separated form factors (SFF) show that the structure of the vesicle system depends strongly on the sucrose concentration.

Estimation of Moisture Content of Forest Canopy and Floor from SAR Data Part II: Trunk-Ground Double-Bounce Case

NASA Technical Reports Server (NTRS)

Moghaddam, M.; Saatchi, S.

1996-01-01

Several scattering mechanisms contribute to the total radar backscatter cross section measured by the synthetic aperture radar. These are volume scattering, trunk-ground double-bounce scattering, branch-ground double-bounce scattering, and surface scattering. All of these mechanisms are directly related to the dielectric constant of forest components responsible for that mechanism and their moisture.

FDTD scattered field formulation for scatterers in stratified dispersive media.

PubMed

Olkkonen, Juuso

2010-03-01

We introduce a simple scattered field (SF) technique that enables finite difference time domain (FDTD) modeling of light scattering from dispersive objects residing in stratified dispersive media. The introduced SF technique is verified against the total field scattered field (TFSF) technique. As an application example, we study surface plasmon polariton enhanced light transmission through a 100 nm wide slit in a silver film.

Dislocation density evolution in the process of high-temperature treatment and creep of EK-181 steel

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

Vershinina, Tatyana, E-mail: vershinina@bsu.edu.ru

2017-03-15

X-ray diffraction has been used to study the dislocation structure in ferrite-martensite high-chromium steel EK-181 in the states after heat treatment and high-temperature creep. The influence of heat treatment and stress on evolution of lath martensite structure was investigated by and electron back-scattered diffraction. The effect of nitrogen content on the total dislocation density, fraction of edge and screw dislocation segments are analyzed. - Highlights: •Fraction of edge dislocation in quenched state depends on nitrogen concentration. •Nitrogen affects the character of dislocation structure evolution during annealing. •Edge dislocations fraction influences on dislocation density after aging and creep.

Cross sections for electron scattering from furan molecules: Measurements and calculations

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

Szmytkowski, Czeslaw; Mozejko, Pawel; Ptasinska-Denga, Elzbieta

Electron-scattering cross sections have been determined for the furan (C{sub 4}H{sub 4}O) molecule, both experimentally and theoretically. An absolute total cross section (TCS) has been measured over energies from 0.6 to 400 eV using a linear electron-transmission method. The TCS energy function is dominated with a very broad enhancement, between 1.2 and 9 eV; on the low-energy side, some resonant structures are visible. Integral elastic (ECS) and ionization (ICS) cross sections have been also calculated up to 4 keV in the additivity rule approximation and the binary-encounter-Bethe approach, respectively. Their sum, ECS+ICS, is in a very good agreement with themore » measured TCS above 70 eV.« less

Scattering Properties of Ground-State 23Na Vapor Using Generalized Scattering Theory

NASA Astrophysics Data System (ADS)

Al-Harazneh, A. A.; Sandouqa, A. S.; Joudeh, B. R.; Ghassib, H. B.

2018-04-01

The scattering properties of ground-state 23Na vapor are investigated within the framework of the Galitskii-Migdal-Feynman formalism. Viewed as a generalized scattering theory, this formalism is used to calculate the medium phase shifts. The scattering properties of the system—the total, viscosity, spin-exchange, and average cross sections—are then computed using these phase shifts according to standard recipes. The total cross section is found to exhibit the Ramsauer-Townsend effect as well as resonance peaks. These peaks are caused by the large difference between the potentials for electronic spin-singlet and spin-triplet states. They represent quasi-bound states in the system. The results obtained for the complex spin-exchange cross sections are particularly highlighted because of their importance in the spectroscopy of the Na2 dimer. So are the results for the scattering lengths pertaining to both singlet and triplet states. Wherever possible, comparison is made with other published results.

Nonideal ultrathin mantle cloak for electrically large conducting cylinders.

PubMed

Liu, Shuo; Zhang, Hao Chi; Xu, He-Xiu; Cui, Tie Jun

2014-09-01

Based on the concept of the scattering cancellation technique, we propose a nonideal ultrathin mantle cloak that can efficiently suppress the total scattering cross sections of an electrically large conducting cylinder (over one free-space wavelength). The cloaking mechanism is investigated in depth based on the Mie scattering theory and is simultaneously interpreted from the perspective of far-field bistatic scattering and near-field distributions. We remark that, unlike the perfect transformation-optics-based cloak, this nonideal cloaking technique is mainly designed to minimize simultaneously several scattering multipoles of a relatively large geometry around considerably broad bandwidth. Numerical simulations and experimental results show that the antiscattering ability of the metasurface gives rise to excellent total scattering reduction of the electrically large cylinder and remarkable electric-field restoration around the cloak. The outstanding cloaking performance together with the good features of and ultralow profile, flexibility, and easy fabrication predict promising applications in the microwave frequencies.

Light Scattering by Fractal Dust Aggregates. I. Angular Dependence of Scattering

NASA Astrophysics Data System (ADS)

Tazaki, Ryo; Tanaka, Hidekazu; Okuzumi, Satoshi; Kataoka, Akimasa; Nomura, Hideko

2016-06-01

In protoplanetary disks, micron-sized dust grains coagulate to form highly porous dust aggregates. Because the optical properties of these aggregates are not completely understood, it is important to investigate how porous dust aggregates scatter light. In this study, the light scattering properties of porous dust aggregates were calculated using a rigorous method, the T-matrix method, and the results were then compared with those obtained using the Rayleigh-Gans-Debye (RGD) theory and Mie theory with the effective medium approximation (EMT). The RGD theory is applicable to moderately large aggregates made of nearly transparent monomers. This study considered two types of porous dust aggregates—ballistic cluster-cluster agglomerates (BCCAs) and ballistic particle-cluster agglomerates. First, the angular dependence of the scattered intensity was shown to reflect the hierarchical structure of dust aggregates; the large-scale structure of the aggregates is responsible for the intensity at small scattering angles, and their small-scale structure determines the intensity at large scattering angles. Second, it was determined that the EMT underestimates the backward scattering intensity by multiple orders of magnitude, especially in BCCAs, because the EMT averages the structure within the size of the aggregates. It was concluded that the RGD theory is a very useful method for calculating the optical properties of BCCAs.

LIGHT SCATTERING BY FRACTAL DUST AGGREGATES. I. ANGULAR DEPENDENCE OF SCATTERING

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

Tazaki, Ryo; Tanaka, Hidekazu; Okuzumi, Satoshi

2016-06-01

In protoplanetary disks, micron-sized dust grains coagulate to form highly porous dust aggregates. Because the optical properties of these aggregates are not completely understood, it is important to investigate how porous dust aggregates scatter light. In this study, the light scattering properties of porous dust aggregates were calculated using a rigorous method, the T -matrix method, and the results were then compared with those obtained using the Rayleigh–Gans–Debye (RGD) theory and Mie theory with the effective medium approximation (EMT). The RGD theory is applicable to moderately large aggregates made of nearly transparent monomers. This study considered two types of porousmore » dust aggregates—ballistic cluster–cluster agglomerates (BCCAs) and ballistic particle–cluster agglomerates. First, the angular dependence of the scattered intensity was shown to reflect the hierarchical structure of dust aggregates; the large-scale structure of the aggregates is responsible for the intensity at small scattering angles, and their small-scale structure determines the intensity at large scattering angles. Second, it was determined that the EMT underestimates the backward scattering intensity by multiple orders of magnitude, especially in BCCAs, because the EMT averages the structure within the size of the aggregates. It was concluded that the RGD theory is a very useful method for calculating the optical properties of BCCAs.« less

Static Light Scattering from Concentrated Protein Solutions, I: General Theory for Protein Mixtures and Application to Self-Associating Proteins

PubMed Central

Minton, Allen P.

2007-01-01

Exact expressions for the static light scattering of a solution containing up to three species of point-scattering solutes in highly nonideal solutions at arbitrary concentration are obtained from multicomponent scattering theory. Explicit expressions for thermodynamic interaction between solute molecules, required to evaluate the scattering relations, are obtained using an equivalent hard particle approximation similar to that employed earlier to interpret scattering of a single protein species at high concentration. The dependence of scattering intensity upon total protein concentration is calculated for mixtures of nonassociating proteins and for a single self-associating protein over a range of concentrations up to 200 g/l. An approximate semiempirical analysis of the concentration dependence of scattering intensity is proposed, according to which the contribution of thermodynamic interaction to scattering intensity is modeled as that of a single average hard spherical species. Simulated data containing pseudo-noise comparable in magnitude to actual experimental uncertainty are modeled using relations obtained from the proposed semiempirical analysis. It is shown that by using these relations one can extract from the data reasonably reliable information about underlying weak associations that are manifested only at very high total protein concentration. PMID:17526566

Experimental validation of a multi-energy x-ray adapted scatter separation method

NASA Astrophysics Data System (ADS)

Sossin, A.; Rebuffel, V.; Tabary, J.; Létang, J. M.; Freud, N.; Verger, L.

2016-12-01

Both in radiography and computed tomography (CT), recently emerged energy-resolved x-ray photon counting detectors enable the identification and quantification of individual materials comprising the inspected object. However, the approaches used for these operations require highly accurate x-ray images. The accuracy of the images is severely compromised by the presence of scattered radiation, which leads to a loss of spatial contrast and, more importantly, a bias in radiographic material imaging and artefacts in CT. The aim of the present study was to experimentally evaluate a recently introduced partial attenuation spectral scatter separation approach (PASSSA) adapted for multi-energy imaging. For this purpose, a prototype x-ray system was used. Several radiographic acquisitions of an anthropomorphic thorax phantom were performed. Reference primary images were obtained via the beam-stop (BS) approach. The attenuation images acquired from PASSSA-corrected data showed a substantial increase in local contrast and internal structure contour visibility when compared to uncorrected images. A substantial reduction of scatter induced bias was also achieved. Quantitatively, the developed method proved to be in relatively good agreement with the BS data. The application of the proposed scatter correction technique lowered the initial normalized root-mean-square error (NRMSE) of 45% between the uncorrected total and the reference primary spectral images by a factor of 9, thus reducing it to around 5%.

Nonlinear effects in the laser-assisted scattering of a positron by a muon

NASA Astrophysics Data System (ADS)

Du, Wen-Yuan; Wang, Bing-Hong; Li, Shu-Min

2018-02-01

The scattering of a positron by a muon in the presence of a linearly polarized laser field is investigated in the first Born approximation. The theoretical results reveal: (1) At large scattering angle, an amount of multiphoton processes take place in the course of scattering. The photon emission processes predominate the photon absorption ones. (2) Some nonlinear phenomena about oscillations, dark angular windows, and asymmetry can be observed in angular distributions. We analyze the cause giving rise to dark windows and geometric asymmetry initially noted in the potential scattering. (3) We also analyze the total differential cross-section, the result shows that the larger the incident energy is, the smaller the total differential cross-section is. The reasons of these new results are analyzed.

Multidetector Scattering as a Probe of Local Structure in Disordered Phases

NASA Astrophysics Data System (ADS)

Clark, Noel A.; Ackerson, Bruce J.; Hurd, Alan J.

1983-05-01

The local translational structure of a two-dimensional colloidal liquid is observed by use of cross correlation of the intensity fluctuations of light scattered by the liquid through two different wave vectors. The utility of multidetector scattering in probing multipoint correlations in disordered phases is thereby demonstrated unambiguously.

Surface and adsorbate structural analysis from time-of-flight scattering and recoiling spectrometry (TOF-SARS)

NASA Astrophysics Data System (ADS)

Rabalais, J. W.; Bu, H.; Roux, C.

1992-02-01

The methods of obtaining surface structural information from low energy ion scattering spectrometry are described. These methods include measurements of backscattering, forwardscattering, and recoiling intensities vs beam incident α, beam exit β, crystal azimuthal δ, and scattering Θ angles. References are provided which give examples of each different kind of measurement. The technique of time-of-flight scattering and recoiling spectrometry (TOF-SARS), which collects both scattered.and recoiled neutrals and ions simultaneously, is described. TOF-SARS data for the three surface phases, clean Ni{110}-(1 × 1), Ni{110}-(1 × 2)-H missing row, and Ni{110}-(2 × 1)-O missing row, are used to illustrate some of the structural measurements.

Structural and mechanical properties of cardiolipin lipid bilayers determined using neutron spin echo, small angle neutron and X-ray scattering, and molecular dynamics simulations

DOE PAGES

Pan, Jianjun; Cheng, Xiaolin; Sharp, Melissa; ...

2014-10-29

We report that the detailed structural and mechanical properties of a tetraoleoyl cardiolipin (TOCL) bilayer were determined using neutron spin echo (NSE) spectroscopy, small angle neutron and X-ray scattering (SANS and SAXS, respectively), and molecular dynamics (MD) simulations. We used MD simulations to develop a scattering density profile (SDP) model, which was then utilized to jointly refine SANS and SAXS data. In addition to commonly reported lipid bilayer structural parameters, component distributions were obtained, including the volume probability, electron density and neutron scattering length density.

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

PubMed Central

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

2009-01-01

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

Characterization of target camouflage structures by means of different microwave imaging procedures

NASA Astrophysics Data System (ADS)

Inaebnit, Christian; John, Marc-Andre; Aulenbacher, Uwe; Akyol, Zeynrep; Hueppi, Rudolf; Wellig, Peter

2009-05-01

This paper presents two different test methods for camouflage layers (CL) like nets or foam based structures. The effectiveness of CL in preventing radar detection and recognition of targets depends on the interaction of CL properties as absorption and diffuse scattering with target specific scattering properties. This fact is taken into account by representing target backscattering as interference of different types of GTD contributions and evaluating the impact of CL onto these individual contributions separately. The first method investigates how a CL under test alters these individual scattering contributions and which "new" contributions are produced by "self-scattering" at the CL. This information is gained by applying ISAR imaging technique to a test structure with different types of scattering contributions. The second test method aims for separating the effects of absorption and "diffuse scattering" in case of a planar metallic plate covered by CL. For this, the equivalent source distribution in the plane of the CL is reconstructed from bistatic scattering data. Both test methods were verified by experimental results obtained from X-band measurements at different CL and proved to be well suited for an application specific evaluation of camouflage structures from different manufacturers.

Nucleon and deuteron scattering cross sections from 25 MV/Nucleon to 22.5 GeV/Nucleon

NASA Technical Reports Server (NTRS)

Townsend, L. W.; Wilson, J. W.; Bidasaria, H. B.

1983-01-01

Within the context of a double-folding optical potential approximation to the exact nucleus-nucleus multiple-scattering series, eikonal scattering theory is used to generate tables of nucleon and deuteron total and absorption cross sections at kinetic energies between 25 MeV/nucleon and 22.5 GeV/nucleon for use in cosmic-ray transport and shielding studies. Comparisons of predictions for nucleon-nucleus and deuteron-nucleus absorption and total cross sections with experimental data are also made.

A high precision gas flow cell for performing in situ neutron studies of local atomic structure in catalytic materials

DOE PAGES

Olds, Daniel; Page, Katharine; Paecklar, Arnold A.; ...

2017-03-17

Gas-solid interfaces enable a multitude of industrial processes, including heterogeneous catalysis; however, there are few methods available for studying the structure of this interface under operating conditions. Here, we present a new sample environment for interrogating materials under gas-flow conditions using time-of-flight neutron scattering under both constant and pulse probe gas flow. Outlined are descriptions of the gas flow cell and a commissioning example using the adsorption of N 2 by Ca-exchanged zeolite-X (Na 78–2xCa xAl 78Si 144O 384,x ≈ 38). We demonstrate sensitivities to lattice contraction and N 2 adsorption sites in the structure, with both static gas loadingmore » and gas flow. A steady-state isotope transient kinetic analysis of N 2 adsorption measured simultaneously with mass spectrometry is also demonstrated. In the experiment, the gas flow through a plugged-flow gas-solid contactor is switched between 15N 2 and 14N 2 isotopes at a temperature of 300 K and a constant pressure of 1 atm; the gas flow and mass spectrum are correlated with the structure factor determined from event-based neutron total scattering. As a result, available flow conditions, sample considerations, and future applications are discussed.« less

Effects of Mass Fluctuation on Thermal Transport Properties in Bulk Bi2Te3

NASA Astrophysics Data System (ADS)

Huang, Ben; Zhai, Pengcheng; Yang, Xuqiu; Li, Guodong

2017-05-01

In this paper, we applied large-scale molecular dynamics and lattice dynamics to study the influence of mass fluctuation on thermal transport properties in bulk Bi2Te3, namely thermal conductivity ( K), phonon density of state (PDOS), group velocity ( v g), and mean free path ( l). The results show that total atomic mass change can affect the relevant vibrational frequency on the micro level and heat transfer rate in the macro statistic, hence leading to the strength variation of the anharmonic phonon processes (Umklapp scattering) in the defect-free Bi2Te3 bulk. Moreover, it is interesting to find that the anharmonicity of Bi2Te3 can be also influenced by atomic differences of the structure such as the mass distribution in the primitive cell. Considering the asymmetry of the crystal structure and interatomic forces, it can be concluded by phonon frequency, lifetime, and velocity calculation that acoustic-optical phonon scattering shows the structure-sensitivity to the mass distribution and complicates the heat transfer mechanism, hence resulting in the low lattice thermal conductivity of Bi2Te3. This study is helpful for designing the material with tailored thermal conductivity via atomic substitution.

Stable and pH-responsive core-shell nanoparticles based on HEC and PMAA networks via template copolymerization

NASA Astrophysics Data System (ADS)

Zhang, Y.; Jin, Q.; Chen, Y.; Zhao, J.

2011-10-01

Taking advantage of the specific hydrogen bonding interactions, stable and pH-responsive core-shell nanoparticles based on hydroxyethyl cellulose (HEC) and polymethacrylic acid (PMAA) networks, with a < D h > size ranging from 190 to 250 nm, can be efficiently prepared via facile one-step co-polymerization of methacrylic acid (MAA) and N, N'-methylenebisacrylamide (MBA) on HEC template in water. Using dynamic light scattering, electrophoretic light scattering, fluorescence spectrometry, thermo-gravimetric analysis, TEM, and AFM observations, the influence of crosslinker MBA as well as the reaction parameters were studied. The results show that after the introduction of crosslinker MBA, the nanoparticles became less compact; their size exhibited a smaller pH sensitivity, and their stability against pH value was improved greatly. Furthermore, the size, structure, and pH response of the nanoparticles can be adjusted via varying the reaction parameters: nanoparticles of smaller size, more compact structure, and higher swelling capacity were produced as pH value of the reaction medium increased or the HEC/MAA ratio decreased; while nanoparticles of smaller size, less compact structure and smaller swelling capacity were produced as the total feeding concentration increased.

Bio-inspired, subwavelength surface structures to control reflectivity, transmission, and scattering in the infrared

NASA Astrophysics Data System (ADS)

Lora Gonzalez, Federico

Controlling the reflection of visible and infrared (IR) light at interfaces is extremely important to increase the power efficiency and performance of optics, electro-optical and (thermo)photovoltaic systems. The eye of the moth has evolved subwavelength protuberances that increase light transmission into the eye tissue and prevent reflection. The subwavelength protuberances effectively grade the refractive index from that of air (n=1) to that of the tissue (n=1.4), making the interface gradual, suppressing reflection. In theory, the moth-eye (ME) structures can be implemented with any material platform to achieve an antireflectance effect by scaling the pitch and size of protuberances for the wavelength range of interest. In this work, a bio-inspired, scalable and substrate-independent surface modification protocol was developed to realize broadband antireflective structures based on the moth-eye principle. Quasi-ordered ME arrays were fabricated in IR relevant materials using a colloidal lithography method to achieve highly efficient, omni-directional transmission of mid and far infrared (IR) radiation. The effect of structure height and aspect ratio on transmittance and scattering is explored, with discussion on experimental techniques and effective medium theory (EMT). The highest aspect ratio structures (AR = 9.4) achieved peak single-side transmittance of 98%, with >85% transmission for lambda = 7--30 microns. A detailed photon balance constructed by transmission, forward scattering, specular reflection and diffuse reflection measurements to quantify optical losses due to near-field effects will be discussed. In addition, angle-dependent transmission measurements showed that moth-eye structures provide superior antireflective properties compared to unstructured interfaces over a wide angular range (0--60° incidence). Finally, subwavelength ME structures are incorporated on a Si substrate to enhance the absorption of near infrared (NIR) light in PtSi films to increase Schottky-barrier detector efficiency. Absorbance enhancement of 70--200% in the lambda =1--2.5 micron range is demonstrated in crystalline PtSi films grown via electron beam evaporation of Pt and subsequent vacuum annealing. Low total reflectance (<10%) was measured in ME films, demonstrating the efficacy of the moth eye effect. Effective medium theory and transfer matrix calculations show that the large absorption enhancement at short wavelengths is partly due to light trapping, which increases the effective optical path length in PtSi. The demonstrated structures are promising candidates for efficient PtSi/p-Si Schottky barrier diode detectors in the NIR. Results further suggest a general method for relatively low-cost absorption enhancement of backside-illuminated detectors based on a wide variety of infrared absorptive materials. The methods presented here to fabricate quasi-ordered ME structures provide a general platform for creating antireflective structures in many different materials, devices, and bandwidths. Furthermore, understanding the relationship between protuberance shape, height, aspect ratio, etc. and performance (antireflection, scattering loss, etc.) can guide the design of antireflective surfaces for different applications (for example, in certain applications, large amounts of forward scattering is desired, e.g. photovoltaics).

Solving the mystery of the internal structure of casein micelles.

PubMed

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

2015-04-14

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

Thermoelectric band engineering: The role of carrier scattering

NASA Astrophysics Data System (ADS)

Witkoske, Evan; Wang, Xufeng; Lundstrom, Mark; Askarpour, Vahid; Maassen, Jesse

2017-11-01

Complex electronic band structures, with multiple valleys or bands at the same or similar energies, can be beneficial for thermoelectric performance, but the advantages can be offset by inter-valley and inter-band scattering. In this paper, we demonstrate how first-principles band structures coupled with recently developed techniques for rigorous simulation of electron-phonon scattering provide the capabilities to realistically assess the benefits and trade-offs associated with these materials. We illustrate the approach using n-type silicon as a model material and show that intervalley scattering is strong. This example shows that the convergence of valleys and bands can improve thermoelectric performance, but the magnitude of the improvement depends sensitively on the relative strengths of intra- and inter-valley electron scattering. Because anisotropy of the band structure also plays an important role, a measure of the benefit of band anisotropy in the presence of strong intervalley scattering is presented.

Analytical Models of Exoplanetary Atmospheres. V. Non-gray Thermal Structure with Coherent Scattering

NASA Astrophysics Data System (ADS)

Mohandas, Gopakumar; Pessah, Martin E.; Heng, Kevin

2018-05-01

We apply the picket fence treatment to model the effects brought about by spectral lines on the thermal structure of irradiated atmospheres. The lines may be due to pure absorption processes, pure coherent scattering processes, or some combination of absorption and scattering. If the lines arise as a pure absorption process, the surface layers of the atmosphere are cooler, whereas this surface cooling is completely absent if the lines are due to pure coherent isotropic scattering. The lines also lead to a warming of the deeper atmosphere. The warming of the deeper layers is, however, independent of the nature of line formation. Accounting for coherent isotropic scattering in the shortwave and longwave continuum results in anti-greenhouse cooling and greenhouse warming on an atmosphere-wide scale. The effects of coherent isotropic scattering in the line and continuum operate in tandem to determine the resulting thermal structure of the irradiated atmosphere.

The Scattering Properties of Natural Terrestrial Snows versus Icy Satellite Surfaces

NASA Technical Reports Server (NTRS)

Domingue, Deborah; Hartman, Beth; Verbiscer, Anne

1997-01-01

Our comparisons of the single particle scattering behavior of terrestrial snows and icy satellite regoliths to the laboratory particle scattering measurements of McGuire and Hapke demonstrate that the differences between icy satellite regoliths and their terrestrial counterparts are due to particle structures and textures. Terrestrial snow particle structures define a region in the single particle scattering function parameter space separate from the regions defined by the McGuire and Hapke artificial laboratory particles. The particle structures and textures of the grains composing icy satellites regoliths are not simple or uniform but consist of a variety of particle structure and texture types, some of which may be a combination of the particle types investigated by McGuire and Hapke.

Ocular forward light scattering and corneal backward light scattering in patients with dry eye.

PubMed

Koh, Shizuka; Maeda, Naoyuki; Ikeda, Chikako; Asonuma, Sanae; Mitamura, Hayato; Oie, Yoshinori; Soma, Takeshi; Tsujikawa, Motokazu; Kawasaki, Satoshi; Nishida, Kohji

2014-09-18

To evaluate ocular forward light scattering and corneal backward light scattering in patients with dry eye. Thirty-five eyes in 35 patients with dry eye and 20 eyes of 20 healthy control subjects were enrolled. The 35 dry eyes were classified into two groups according to whether superficial punctate keratopathy in the central 6-mm corneal zone (cSPK) was present or not. Ocular forward light scattering was quantified with a straylight meter. Corneal backward light scattering from the anterior, middle, and posterior corneal parts was assessed with a corneal densitometry program using the Scheimpflug imaging system. Both dry eye groups had significantly higher intraocular forward light scattering than the control group (both P<0.05). The dry eye group with cSPK had significantly higher values in anterior and total corneal backward light scattering than the other two groups. Moderate positive correlations were observed between the cSPK score and corneal backward light scattering from the anterior cornea (R=0.60, P<0.001) and corneal backward light scattering from the total cornea (R=0.54, P<0.001); however, no correlation was found between cSPK score and ocular forward light scattering (R=0.01, P=0.932). Ocular forward light scattering and corneal backward light scattering from the anterior cornea were greater in dry eyes than in normal eyes. Increased corneal backward light scattering in dry eye at least partially results from cSPK overlying the optical zone. Copyright 2014 The Association for Research in Vision and Ophthalmology, Inc.

Magnetotransport of multiple-band nearly antiferromagnetic metals due to hot-spot scattering

DOE PAGES

Koshelev, A. E.

2016-09-30

Multiple-band electronic structure and proximity to antiferromagnetic (AF) instability are the key properties of iron-based superconductors. In this paper, we explore the influence of scattering by the AF spin fluctuations on transport of multiple-band metals above the magnetic transition. A salient feature of scattering on the AF fluctuations is that it is strongly enhanced at the Fermi surface locations where the nesting is perfect (“hot spots” or “hot lines”). We review derivation of the collision integral for the Boltzmann equation due to AF-fluctuations scattering. In the paramagnetic state, the enhanced scattering rate near the hot lines leads to anomalous behaviormore » of electronic transport in magnetic field. We explore this behavior by analytically solving the Boltzmann transport equation with approximate transition rates. This approach accounts for return scattering events and is more accurate than the relaxation-time approximation. The magnetic-field dependences are characterized by two very different field scales: the lower scale is set by the hot-spot width and the higher scale is set by the total scattering amplitude. A conventional magnetotransport behavior is limited to magnetic fields below the lower scale. In the wide range in-between these two scales, the longitudinal conductivity has linear dependence on the magnetic field and the Hall conductivity has quadratic dependence. The linear dependence of the diagonal component reflects growth of the Fermi-surface area affected by the hot spots proportional to the magnetic field. Finally, we discuss applicability of this theoretical framework for describing of anomalous magnetotransport properties in different iron pnictides and chalcogenides in the paramagnetic state.« less

Airborne Aerosol in Situ Measurements during TCAP: A Closure Study of Total Scattering

DOE PAGES

Kassianov, Evgueni I.; Berg, Larry K.; Pekour, Mikhail S.; ...

2015-07-31

We present here a framework for calculating the total scattering of both non-absorbing and absorbing aerosol at ambient conditions from aircraft data. The synergistically employed aircraft data involve aerosol microphysical, chemical, and optical components and ambient relative humidity measurements. Our framework is developed emphasizing the explicit use of the complementary chemical composition data for estimating the complex refractive index (RI) of particles, and thus obtaining improved ambient size spectra derived from Optical Particle Counter (OPC) measurements. The feasibility of our framework for improved calculations of total aerosol scattering is demonstrated for different ambient conditions with a wide range of relativemore » humidities (from 5 to 80%) using three types of data collected by the U.S. Department of Energy (DOE) G-1 aircraft during the recent Two-Column Aerosol Project (TCAP). Namely, these three types of data employed are: (1) size distributions measured by an Ultra High Sensitivity Aerosol Spectrometer (UHSAS; 0.06-1 µm), a Passive Cavity Aerosol Spectrometer (PCASP; 0.1-3 µm) and a Cloud and Aerosol Spectrometer (CAS; 0.6- >10 µm), (2) chemical composition data measured by an Aerosol Mass Spectrometer (AMS; 0.06-0.6 µm) and a Single Particle Soot Photometer (SP2; 0.06-0.6 µm), and (3) the dry total scattering coefficient measured by a TSI integrating nephelometer at three wavelengths (0.45, 0.55, 0.7 µm) and scattering enhancement factor measured with a humidification system at three RHs (near 45%, 65% and 90%) at a single wavelength (0.525 µm). We demonstrate that good agreement (~10% on average) between the observed and calculated scattering at these three wavelengths can be obtained using the best available chemical composition data for the RI-based correction of the OPC-derived size spectra. We also demonstrate that ignoring the RI-based correction and using non-representative RI values can cause a substantial underestimation (~40% on average) and overestimation (~35% on average) of the calculated total scattering, respectively.« less

Scattering - a probe to Earth's small scale structure

NASA Astrophysics Data System (ADS)

Rost, S.; Earle, P.

2009-05-01

Much of the short-period teleseismic wavefield shows strong evidence for scattered waves in extended codas trailing the main arrivals predicted by ray theory. This energy mainly originates from high-frequency body waves interacting with fine-scale volumetric heterogeneities in the Earth. Studies of this energy revealed much of what we know about Earth's structure at scale lengths around 10 km throughout the Earth from crust to core. From these data we can gain important information about the mineral-physical and geochemical constitution of the Earth that is inaccessible to many other seismic imaging techniques. Previous studies used scattered energy related to PKP, PKiKP, and Pdiff to identify and map the small-scale structure of the mantle and core. We will present observations related to the core phases PKKP and P'P' to study fine-scale mantle heterogeneities. These phases are maximum travel-time phases with respect to perturbations at their reflection points. This allows observation of the scattered energy as precursors to the main phase avoiding common problems with traditional coda phases which arrive after the main pulse. The precursory arrival of the scattered energy allows the separation between deep Earth and crustal contributions to the scattered wavefield for certain source-receiver configurations. Using the information from these scattered phases we identify regions of the mantle that shows increased scattering potential likely linked to larger scale mantle structure identified in seismic tomography and geodynamical models.

Pore-Scale Modeling of Pore Structure Effects on P-Wave Scattering Attenuation in Dry Rocks

PubMed Central

Li, Tianyang; Qiu, Hao; Wang, Feifei

2015-01-01

Underground rocks usually have complex pore system with a variety of pore types and a wide range of pore size. The effects of pore structure on elastic wave attenuation cannot be neglected. We investigated the pore structure effects on P-wave scattering attenuation in dry rocks by pore-scale modeling based on the wave theory and the similarity principle. Our modeling results indicate that pore size, pore shape (such as aspect ratio), and pore density are important factors influencing P-wave scattering attenuation in porous rocks, and can explain the variation of scattering attenuation at the same porosity. From the perspective of scattering attenuation, porous rocks can safely suit to the long wavelength assumption when the ratio of wavelength to pore size is larger than 15. Under the long wavelength condition, the scattering attenuation coefficient increases as a power function as the pore density increases, and it increases exponentially with the increase in aspect ratio. For a certain porosity, rocks with smaller aspect ratio and/or larger pore size have stronger scattering attenuation. When the pore aspect ratio is larger than 0.5, the variation of scattering attenuation at the same porosity is dominantly caused by pore size and almost independent of the pore aspect ratio. These results lay a foundation for pore structure inversion from elastic wave responses in porous rocks. PMID:25961729

Application of the weighted total field-scattering field technique to 3D-PSTD light scattering model

NASA Astrophysics Data System (ADS)

Hu, Shuai; Gao, Taichang; Liu, Lei; Li, Hao; Chen, Ming; Yang, Bo

2018-04-01

PSTD (Pseudo Spectral Time Domain) is an excellent model for the light scattering simulation of nonspherical aerosol particles. However, due to the particularity of its discretization form of the Maxwell's equations, the traditional Total Field/Scattering Field (TF/SF) technique for FDTD (Finite Differential Time Domain) is not applicable to PSTD, and the time-consuming pure scattering field technique is mainly applied to introduce the incident wave. To this end, the weighted TF/SF technique proposed by X. Gao is generalized and applied to the 3D-PSTD scattering model. Using this technique, the incident light can be effectively introduced by modifying the electromagnetic components in an inserted connecting region between the total field and the scattering field region with incident terms, where the incident terms are obtained by weighting the incident field by a window function. To optimally determine the thickness of connection region and the window function type for PSTD calculations, their influence on the modeling accuracy is firstly analyzed. To further verify the effectiveness and advantages of the weighted TF/SF technique, the improved PSTD model is validated against the PSTD model equipped with pure scattering field technique in both calculation accuracy and efficiency. The results show that, the performance of PSTD seems to be not sensitive to variation of window functions. The number of the connection layer required decreases with the increasing of spatial resolution, where for spatial resolution of 24 grids per wavelength, a 6-layer region is thick enough. The scattering phase matrices and integral scattering parameters obtained by the improved PSTD show an excellent consistency with those well-tested models for spherical and nonspherical particles, illustrating that the weighted TF/SF technique can introduce the incident precisely. The weighted TF/SF technique shows higher computational efficiency than pure scattering technique.

Investigating backward scattered second harmonic generation from various mouse collagen tissues

NASA Astrophysics Data System (ADS)

Shen, Mengzhe; Tian, Yunxian; Chong, Shau Poh; Zhao, Jianhua; Zeng, Haishan; Tang, Shuo

2014-02-01

A confocal multiphoton microscopy system with various detection pinholes was used to differentiate backward scattered second harmonic generation (BS-SHG) from backward generated SHG (BG-SHG) based on the fact that BS-SHG is more scattered and therefore has a much bigger spot size than BG-SHG. BS-SHG is quantified from two types of mouse tissues, such as Achilles tendon, and skin, and at various focal depths. It is found that the BS-SHG contributes less to the total backward SHG for the skin than Achilles tendon with thicknesses of around three hundred micrometers. For tissue with larger F/B intensity ratio such as Achilles tendon, increasing the tissue thickness reduces it tremendously. However, for tissue with smaller F/B intensity ratio, tissue thickness increment does not alter it significantly. In addition, larger F/B intensity ratio might be related with a greater scattering coefficient from our Achilles tendon and skin comparison. When the focal point is moved deeper into tissue, the contribution of BS-SHG is found to decrease due to a reduced pass length of the forward propagated photons. On the contrary, when the tissue thickness increases, the contribution of the BS-SHG is increased. These observations for thicker skin tissues are related with our F/B intensity ratio measurement for thin mouse skin sample in terms of that the magnitude of backward generated SHG are dominant among the total backward SHG in mouse skin tissue. Considering the phase mismatching condition in the forward and backward directions, these results may indicate that quasi-phase matching originating from the regular structure of collagen could help with reducing the phase mismatch especially in the backward direction.

Comparative study of bowtie and patient scatter in diagnostic CT

NASA Astrophysics Data System (ADS)

Prakash, Prakhar; Boudry, John M.

2017-03-01

A fast, GPU accelerated Monte Carlo engine for simulating relevant photon interaction processes over the diagnostic energy range in third-generation CT systems was developed to study the relative contributions of bowtie and object scatter to the total scatter reaching an imaging detector. Primary and scattered projections for an elliptical water phantom (major axis set to 300mm) with muscle and fat inserts were simulated for a typical diagnostic CT system as a function of anti-scatter grid (ASG) configurations. The ASG design space explored grid orientation, i.e. septa either a) parallel or b) parallel and perpendicular to the axis of rotation, as well as septa height. The septa material was Tungsten. The resulting projections were reconstructed and the scatter induced image degradation was quantified using common CT image metrics (such as Hounsfield Unit (HU) inaccuracy and loss in contrast), along with a qualitative review of image artifacts. Results indicate object scatter dominates total scatter in the detector channels under the shadow of the imaged object with the bowtie scatter fraction progressively increasing towards the edges of the object projection. Object scatter was shown to be the driving factor behind HU inaccuracy and contrast reduction in the simulated images while shading artifacts and elevated loss in HU accuracy at the object boundary were largely attributed to bowtie scatter. Because the impact of bowtie scatter could not be sufficiently mitigated with a large grid ratio ASG, algorithmic correction may be necessary to further mitigate these artifacts.

Determination of the X-ray structure of the snake venom protein omwaprin by total chemical synthesis and racemic protein crystallography.

PubMed

Banigan, James R; Mandal, Kalyaneswar; Sawaya, Michael R; Thammavongsa, Vilasak; Hendrickx, Antoni P A; Schneewind, Olaf; Yeates, Todd O; Kent, Stephen B H

2010-10-01

The 50-residue snake venom protein L-omwaprin and its enantiomer D-omwaprin were prepared by total chemical synthesis. Radial diffusion assays were performed against Bacillus megaterium and Bacillus anthracis; both L- and D-omwaprin showed antibacterial activity against B. megaterium. The native protein enantiomer, made of L-amino acids, failed to crystallize readily. However, when a racemic mixture containing equal amounts of L- and D-omwaprin was used, diffraction quality crystals were obtained. The racemic protein sample crystallized in the centrosymmetric space group P2(1)/c and its structure was determined at atomic resolution (1.33 A) by a combination of Patterson and direct methods based on the strong scattering from the sulfur atoms in the eight cysteine residues per protein. Racemic crystallography once again proved to be a valuable method for obtaining crystals of recalcitrant proteins and for determining high-resolution X-ray structures by direct methods.

Influence of amorphous structure on polymorphism in vanadia

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

Stone, Kevin H.; Schelhas, Laura T.; Garten, Lauren M.

Normally we think of the glassy state as a single phase and therefore crystallization from chemically identical amorphous precursors should be identical. Here we show that the local structure of an amorphous precursor is distinct depending on the initial deposition conditions, resulting in significant differences in the final state material. Using grazing incidence total x-ray scattering, we have determined the local structure in amorphous thin films of vanadium oxide grown under different conditions using pulsed laser deposition (PLD). Here we show that the subsequent crystallization of films deposited using different initial PLD conditions result in the formation of different polymorphsmore » of VO 2. Ultimately this suggests the possibility of controlling the formation of metastable polymorphs by tuning the initial amorphous structure to different formation pathways.« less

Influence of amorphous structure on polymorphism in vanadia

DOE PAGES

Stone, Kevin H.; Schelhas, Laura T.; Garten, Lauren M.; ...

2016-07-13

Normally we think of the glassy state as a single phase and therefore crystallization from chemically identical amorphous precursors should be identical. Here we show that the local structure of an amorphous precursor is distinct depending on the initial deposition conditions, resulting in significant differences in the final state material. Using grazing incidence total x-ray scattering, we have determined the local structure in amorphous thin films of vanadium oxide grown under different conditions using pulsed laser deposition (PLD). Here we show that the subsequent crystallization of films deposited using different initial PLD conditions result in the formation of different polymorphsmore » of VO 2. Ultimately this suggests the possibility of controlling the formation of metastable polymorphs by tuning the initial amorphous structure to different formation pathways.« less

Quantitative Imaging of Scattering Changes Associated With Epithelial Proliferation, Necrosis and Fibrosis in Tumors Using Microsampling Reflectance Spectroscopy

PubMed Central

Krishnaswamy, Venkataramanan; Hoopes, P. Jack; Samkoe, Kimberley S.; O'Hara, Julia A.; Hasan, Tayyaba; Pogue, Brian W.

2010-01-01

Highly localized reflectance measurements can be used to directly quantify scatter changes in tissues. This study presents a microsampling approach that is used to raster scan tumors to extract parameters believed to be related to the tissue ultra-structure. A confocal reflectance imager was developed to examine scatter changes across pathologically distinct regions within tumor tissues. Tissue sections from two murine tumors, AsPC-1 pancreas tumor and the Mat-LyLu Dunning prostate tumor, were imaged. After imaging, histopathology-guided region-of-interest studies of the images allowed analysis of the variations in scattering resulting from differences in tissue ultra-structure. On average, the median scatter power of tumor cells with high proliferation index was about 26% less compared to tumor cells with low proliferation index (LPI). Necrosis exhibited the lowest scatter power signature across all the tissue types considered, with about 55% lower median scatter power than LPI tumor cells. Additionally, the level and maturity of the tumor's fibroplastic response was found to influence the scatter signal. This approach to scatter visualization of tissue ultra-structure in situ could provide a unique tool for guiding surgical resection, but this kind of interpretation into what the signal means relative to the pathology is required before proceeding to clinical studies. PMID:19256692

Unified Mie and fractal scattering by cells and experimental study on application in optical characterization of cellular and subcellular structures.

PubMed

Xu, Min; Wu, Tao T; Qu, Jianan Y

2008-01-01

A unified Mie and fractal model for light scattering by biological cells is presented. This model is shown to provide an excellent global agreement with the angular dependent elastic light scattering spectroscopy of cells over the whole visible range (400 to 700 nm) and at all scattering angles (1.1 to 165 deg) investigated. Mie scattering from the bare cell and the nucleus is found to dominate light scattering in the forward directions, whereas the random fluctuation of the background refractive index within the cell, behaving as a fractal random continuous medium, is found to dominate light scattering at other angles. Angularly dependent elastic light scattering spectroscopy aided by the unified Mie and fractal model is demonstrated to be an effective noninvasive approach to characterize biological cells and their internal structures. The acetowhitening effect induced by applying acetic acid on epithelial cells is investigated as an example. The changes in morphology and refractive index of epithelial cells, nuclei, and subcellular structures after the application of acetic acid are successfully probed and quantified using the proposed approach. The unified Mie and fractal model may serve as the foundation for optical detection of precancerous and cancerous changes in biological cells and tissues based on light scattering techniques.

[Influence of the difference in the pollen count on medical costs in an allergen-specific immunotherapy for Japanese cedar pollinosis].

PubMed

Yuta, Atsushi; Miyamoto, Yukiko; Hattori, Reiko; Ogihara, Hitomi; Takeuchi, Kazuhiko; Majima, Yuichi

2007-11-01

We studied medical economic efficacy and influence by the different number of pollen scattering in patients treated with allergen-specific immunotherapy for Japanese cedar pollinosis. We calculated medical treatment costs and the medicine expense from medical records in eighteen cedar pollinosis patients treated with allergen-specific immunotherapy (IT-G) and with medications (M-G). We examined with the same patients for three years of different pollen scattering, mass scattering year (2005), moderate scattering year (2003), a few scattering year (2004). Furthermore, satisfaction of treatment and symptom score measured by visual analog scale in both subjects was studied in a mass scattering year. Total medical costs at hospital was cheaper in IT-G than in M-G. The result was depended on prescribed medical costs. In addition, prescribed medicine agents and total medical costs did not increase by the mass scattering year of pollen. Satisfaction of treatment and symptom score in IT-G was better than that in M-G. Immunotherapy had a benefit on a medical economy.

Polarized light scattering as a probe for changes in chromosome structure

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

Shapiro, Daniel Benjamin

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 comparingmore » 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.« less

Search for weak M 1 transitions in 48Ca with inelastic proton scattering

NASA Astrophysics Data System (ADS)

Mathy, M.; Birkhan, J.; Matsubara, H.; von Neumann-Cosel, P.; Pietralla, N.; Ponomarev, V. Yu.; Richter, A.; Tamii, A.

2017-05-01

Background: The quenching of spin-isospin modes in nuclei is an important field of research in nuclear structure. It has an impact on astrophysical reaction rates and on fundamental processes like neutrinoless double-β decay. Gamow-Teller (GT) and spin-flip M 1 strengths are quenched. Concerning the latter, the Jπ=1+ resonance in the doubly magic nucleus 48Ca, dominated by a single transition, serves as a reference case. Purpose: The aim of the present work is to search for weak M 1 transitions in 48Ca with a high-resolution (p ,p') experiment at 295 MeV and forward angles including 0∘ and a comparison with results from a similar study using backward-angle electron scattering at low momentum transfers in order to estimate their contribution to the total B (M 1 ) strength in 48Ca. Methods: The spin-M 1 cross sections of individual peaks in the spectra are deduced with a multipole decomposition analysis (MDA) and converted to reduced spin-M 1 transition strengths by using the unit cross-section method. For a comparison with electron-scattering results, corresponding reduced B (M 1 ) transition strengths are extracted following the approach outlined in Birkhan et al. [Phys. Rev. C 93, 041302(R) (2016), 10.1103/PhysRevC.93.041302]. Results: In total, 30 peaks containing a M 1 contribution are found in the excitation energy region 7-13 MeV. The resulting B (M 1 ) strength distribution compares well to the electron-scattering results considering different factors limiting the sensitivity in both experiments and the enhanced importance of mechanisms breaking the proportionality of nuclear cross sections and electromagnetic matrix elements for weak transitions as studied here. The total strength of 1.14(7) μN2 deduced assuming a nonquenched isoscalar part of the (p ,p') cross sections agrees with the (e ,e') result of 1.21(13) μN2. A bin-wise analysis above 10 MeV provides an upper limit of 1.51(17) μN2. Conclusions: The present results confirm the previous electron-scattering work that weak transitions contribute about 25% to the total B (M 1 ) strength in 48Ca and the quenching factors of GT and spin-M 1 strength are then comparable in f p -shell nuclei. Thus, the role of meson-exchange currents seems to be negligible in 48Ca, in contrast to s d -shell nuclei.

Collinear cluster tri-partition - the brightest observations and their treating

NASA Astrophysics Data System (ADS)

Pyatkov, Yu V.; Kamanin, D. V.; Lavrova, J. E.; Mkaza, N.; Malaza, V.; Strekalovsky, A. O.

2017-06-01

Careful studies of the fission fragments mass correlation distributions let us to reveal specific linear structures in the region of a big missing mass. It became possible due to applying of effective cleaning of this region from the background linked with scattered fragments. One of the most pronounced structure looks like a rectangle bounded by the magic nuclei. The fission events aggregated in the rectangle show a very low total kinetic energy. We propose possible scenario of forming and decay of the multi-cluster prescission configuration decisive for the experimental findings. This approach is valid as well for treating of another rare decay modes discovered in the past.

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

Koshelev, A. E.

Multiple-band electronic structure and proximity to antiferromagnetic (AF) instability are the key properties of iron-based superconductors. In this paper, we explore the influence of scattering by the AF spin fluctuations on transport of multiple-band metals above the magnetic transition. A salient feature of scattering on the AF fluctuations is that it is strongly enhanced at the Fermi surface locations where the nesting is perfect (“hot spots” or “hot lines”). We review derivation of the collision integral for the Boltzmann equation due to AF-fluctuations scattering. In the paramagnetic state, the enhanced scattering rate near the hot lines leads to anomalous behaviormore » of electronic transport in magnetic field. We explore this behavior by analytically solving the Boltzmann transport equation with approximate transition rates. This approach accounts for return scattering events and is more accurate than the relaxation-time approximation. The magnetic-field dependences are characterized by two very different field scales: the lower scale is set by the hot-spot width and the higher scale is set by the total scattering amplitude. A conventional magnetotransport behavior is limited to magnetic fields below the lower scale. In the wide range in-between these two scales, the longitudinal conductivity has linear dependence on the magnetic field and the Hall conductivity has quadratic dependence. The linear dependence of the diagonal component reflects growth of the Fermi-surface area affected by the hot spots proportional to the magnetic field. Finally, we discuss applicability of this theoretical framework for describing of anomalous magnetotransport properties in different iron pnictides and chalcogenides in the paramagnetic state.« less

Molecular emulsions: from charge order to domain order.

PubMed

Perera, Aurélien

2017-10-25

Aqueous mixtures of small molecules, such as lower n-alkanols for example, are known to be micro-segregated, with domains in the nano-meter range. One consequence of this micro-segregation would be the existence of long range domain-domain oscillatory correlations in the various atom-atom pair correlation functions, and subsequent pre-peaks in the corresponding atom-atom structure factors, in the q-vector range corresponding to nano-sized domains. However, no such pre-peak have ever been observed in the large corpus of radiation scattering data published so far on aqueous mixtures of small n-alkanols. By using large scale simulations of aqueous-1propanol mixtures, it is shown herein that the origin for the absence of scattering pre-peak resides in the exact cancellation of the contributions of the various atom-atom correlation pre-peaks to the total scattered intensity. The mechanism for this cancellation is due to the differences in the long range oscillatory behaviour of the correlations (beyond 1 nm), which are exactly out-of-phase between same species and cross species. This is similar to the charge order observed in ionic melts, but differs from room temperature ionic liquids, where the segregation is between charged and neutral groups, instead of species segregation. The consequences of such cancellation in the experimental scattering data are examined, in relation to the possibility of detecting micro-segregation through such methods. In the particular case of aqueous-1propanol mixtures, it is shown the X-ray scattering leads an exact cancellation, while this cancellation in neutron scattering is seen to depend on the deuteration ratio between solvent and solute.

Simultaneous inversion of intrinsic and scattering attenuation parameters incorporating multiple scattering effect

NASA Astrophysics Data System (ADS)

Ogiso, M.

2017-12-01

Heterogeneous attenuation structure is important for not only understanding the earth structure and seismotectonics, but also ground motion prediction. Attenuation of ground motion in high frequency range is often characterized by the distribution of intrinsic and scattering attenuation parameters (intrinsic Q and scattering coefficient). From the viewpoint of ground motion prediction, both intrinsic and scattering attenuation affect the maximum amplitude of ground motion while scattering attenuation also affect the duration time of ground motion. Hence, estimation of both attenuation parameters will lead to sophisticate the ground motion prediction. In this study, we try to estimate both parameters in southwestern Japan in a tomographic manner. We will conduct envelope fitting of seismic coda since coda has sensitivity to both intrinsic attenuation and scattering coefficients. Recently, Takeuchi (2016) successfully calculated differential envelope when these parameters have fluctuations. We adopted his equations to calculate partial derivatives of these parameters since we did not need to assume homogeneous velocity structure. Matrix for inversion of structural parameters would become too huge to solve in a straightforward manner. Hence, we adopted ART-type Bayesian Reconstruction Method (Hirahara, 1998) to project the difference of envelopes to structural parameters iteratively. We conducted checkerboard reconstruction test. We assumed checkerboard pattern of 0.4 degree interval in horizontal direction and 20 km in depth direction. Reconstructed structures well reproduced the assumed pattern in shallower part while not in deeper part. Since the inversion kernel has large sensitivity around source and stations, resolution in deeper part would be limited due to the sparse distribution of earthquakes. To apply the inversion method which described above to actual waveforms, we have to correct the effects of source and site amplification term. We consider these issues to estimate the actual intrinsic and scattering structures of the target region.Acknowledgment We used the waveforms of Hi-net, NIED. This study was supported by the Earthquake Research Institute of the University of Tokyo cooperative research program.

The Structure of Ethylbenzene, Styrene and Phenylacetylene Determined by Total Neutron Scattering

PubMed Central

Szala‐Bilnik, Joanna; Falkowska, Marta; Bowron, Daniel T.

2017-01-01

Abstract Organic solvents such as phenylacetylene, styrene and ethylbenzene are widely used in industrial processes, especially in the production of rubber or thermoplastics. Despite their important applications detailed knowledge about their structure is limited. In this paper the structures of these three aromatic solvents were investigated using neutron diffraction. The results show that many of their structural characteristics are similar, although the structure of phenylacetylene is more ordered and has a smaller solvation sphere than either ethylbenzene or styrene. Two regions within the first coordination sphere, in which the surrounding molecules show different preferable orientations with respect to the central molecule, were found for each liquid. Additionally, the localisation of the aliphatic chains reveals that they tend to favour closer interactions with each other than to the aromatic rings of the adjacent molecules. PMID:28672104

Deep inelastic scattering events with a large rapidity gap at HERA

NASA Astrophysics Data System (ADS)

Ahmed, T.; Aid, S.; Andreev, V.; Andrieu, B.; Appuhn, R.-D.; Arpagaus, M.; Babaev, A.; Baehr, J.; Bán, J.; Baranov, P.; Barrelet, E.; Bartel, W.; Barth, M.; Bassler, U.; Beck, H. P.; Behrend, H.-J.; Belousov, A.; Berger, Ch.; Bergstein, H.; Bernardi, G.; Bernet, R.; Bertrand-Coremans, G.; Besançon, M.; Biddulph, P.; Bizot, J. C.; Blobel, V.; Borras, K.; Botterweck, F.; Boudry, V.; Braemer, A.; Brasse, F.; Braunschweig, W.; Brisson, V.; Bruncko, D.; Brune, C.; Buchholz, R.; Büngener, L.; Bürger, J.; Büsser, F. W.; Buniatian, A.; Burke, S.; Buschhorn, G.; Campbell, A. J.; Carli, T.; Charles, F.; Clarke, D.; Clegg, A. B.; Clerbaux, B.; Colombo, M.; Contreras, J. G.; Coughlan, J. A.; Courau, A.; Coutures, Ch.; Cozzika, G.; Criegee, L.; Cussans, D. G.; Cvach, J.; Dagoret, S.; Deffur, E.; Delcourt, B.; Del Buono, L.; De Roeck, A.; De Wolf, E. A.; Di Nezza, P.; Dollfus, C.; Dowell, J. D.; Dreis, H. B.; Duboc, J.; Düllmann, D.; Dünger, O.; Duhm, H.; Ebert, J.; Ebert, T. R.; Eckerlin, G.; Efremenko, V.; Egli, S.; Ehrlichmann, H.; Eichenberger, S.; Eichler, R.; Eisele, F.; Eisenhandler, E.; Ellison, R. J.; Elsen, E.; Erdmann, M.; Evrard, E.; Favart, L.; Fedotov, A.; Feeken, D.; Felst, R.; Feltesse, J.; Ferencei, J.; Ferrarotto, F.; Flamm, K.; Fleischer, M.; Flieser, M.; Flügge, G.; Fomenko, A.; Fominykh, B.; Forbush, M.; Formánek, J.; Foster, J. M.; Franke, G.; Fretwurst, E.; Gabathuler, E.; Gabathuler, K.; Gamerdinger, K.; Garvey, J.; Gayler, J.; Gebauer, M.; Gellrich, A.; Genzel, H.; Gerhards, R.; Goerlach, U.; Goerlich, L.; Gogitidze, N.; Goldberg, M.; Goldner, D.; Gonzalez-Pineiro, B.; Goodall, A. M.; Gorelov, I.; Goritchev, P.; Grab, C.; Grässler, H.; Grässler, R.; Greenshaw, T.; Grindhammer, G.; Gruber, A.; Gruber, C.; Haack, J.; Haidt, D.; Hajduk, L.; Hamon, O.; Hampel, M.; Hanlon, E. M.; Hapke, M.; Haynes, W. J.; Heaterington, J.; Hedberg, V.; Heinzelmann, G.; Henderson, R. C. W.; Henschel, H.; Herma, R.; Herynek, I.; Hess, M. F.; Hildesheim, W.; Hill, P.; Hiller, K. H.; Hilton, C. D.; Hladký, J.; Hoeger, K. C.; Höppner, M.; Horisberger, R.; Huet, Ph.; Hufnagel, H.; Ibbotson, M.; Itterbeck, H.; Jabiol, M.-A.; Jacholkowska, A.; Jacobsson, C.; Jaffre, M.; Janoth, J.; Jansen, T.; Jönsson, L.; Johannsen, K.; Johnson, D. P.; Johnson, L.; Jung, H.; Kalmus, P. I. P.; Kant, D.; Kaschowitz, R.; Kasselmann, P.; Kathage, U.; Kaufmann, H. H.; Kazarian, S.; Kenyon, I. R.; Kermiche, S.; Keuker, C.; Kiesling, C.; Klein, M.; Kleinwort, C.; Knies, G.; Ko, W.; Köhler, T.; Kolanoski, H.; Kole, F.; Kolya, S. D.; Korbel, V.; Korn, M.; Kostka, P.; Kotelnikov, S. K.; Krasny, M. W.; Krehbiel, H.; Krücker, D.; Krüger, U.; Krüner-Marquis, U.; Kubenka, J. P.; Küster, H.; Kuhlen, M.; Kurča, T.; Kurzhöfer, J.; Kuznik, B.; Lacour, D.; Lamarche, F.; Lander, R.; Landon, M. P. J.; Lange, W.; Lanius, P.; Laporte, J.-F.; Lebedev, A.; Leverenz, C.; Levonian, S.; Ley, Ch.; Lindner, A.; Lindström, G.; Linsel, F.; Lipinski, J.; List, B.; Loch, P.; Lohmander, H.; Lopez, G. C.; Lüke, D.; Magnussen, N.; Malinovski, E.; Magnussen, N.; Malinovski, E.; Mani, S.; Maraček, R.; Marage, P.; Marks, J.; Marshall, R.; Martens, J.; Martin, R.; Martyn, H.-U.; Martyniak, J.; Masson, S.; Mavroidis, T.; Maxfield, S. J.; McMahon, S. J.; Mehta, A.; Meier, K.; Mercer, D.; Merz, T.; Meyer, C. A.; Meyer, H.; Meyer, J.; Mikocki, S.; Milstead, D.; Moreau, F.; Morris, J. V.; Müller, G.; Müller, K.; Murín, P.; Nagovizin, V.; Nahnhauer, R.; Naroska, B.; Naumann, Th.; Newman, P. R.; Newton, D.; Neyret, D.; Nguyen, H. K.; Niebergall, F.; Niebuhr, C.; Nisius, R.; Nowak, G.; Noyes, G. W.; Nyberg-Werther, M.; Oberlack, H.; Obrock, U.; Olsson, J. E.; Panaro, E.; Panitch, A.; Pascaud, C.; Patel, G. D.; Peppel, E.; Perez, E.; Phillips, J. P.; Pichler, Ch.; Pitzl, D.; Pope, G.; Prell, S.; Prosi, R.; Rädel, G.; Raupach, F.; Reimer, P.; Reinshagen, S.; Ribarics, P.; Riech, V.; Riedlberger, J.; Riess, S.; Rietz, M.; Robertson, S. M.; Robmann, P.; Roloff, H. E.; Roosen, R.; Rosenbauer, K.; Rostovtsev, A.; Rouse, F.; Royon, C.; Rüter, K.; Rusakov, S.; Rybicki, K.; Rylko, R.; Sahlmann, N.; Sanchez, E.; Sankey, D. P. C.; Savitsky, M.; Schacht, P.; Schiek, S.; Schleper, P.; von Schlippe, W.; Schmidt, C.; Schmidt, D.; Schmidt, G.; Schöning, A.; Schröder, V.; Schuhmann, E.; Schwab, B.; Schwind, A.; Seehausen, U.; Sefkow, F.; Seidel, M.; Sell, R.; Semenov, A.; Shekelyan, V.; Sheviakov, I.; Shooshtari, H.; Shtarkov, L. N.; Siegmon, G.; Siewert, U.; Sirois, Y.; Skillicorn, I. O.; Smirnov, P.; Smith, J. R.; Soloviev, Y.; Spitzer, H.; Starosta, R.; Steenbock, M.; Steffen, P.; Steinberg, R.; Stella, B.; Stephens, K.; Stier, J.; Stiewe, J.; Stösslein, U.; Strachota, J.; Straumann, U.; Struczinski, W.; Sutton, J. P.; Tapprogge, S.; Taylor, R. E.; Tchernyshov, V.; Thiebaux, C.; Thompson, G.; Tichomirov, I.; Truöl, P.; Turnau, J.; Tutas, J.; Uelkes, P.; Usik, A.; Valkár, S.; Valkárová, A.; Vallée, C.; Van Esch, P.; Van Mechelen, P.; Vartapetian, A.; Vazdik, Y.; Vecko, M.; Verrecchia, P.; Villet, G.; Wacker, K.; Wagener, A.; Walker, I. W.; Walther, A.; Weber, G.; Weber, M.; Wegener, D.; Wegner, A.; Wellisch, H. P.; west, L. R.; Willard, S.; Winde, M.; Winter, G.-G.; Wolff, Th.; Wright, A. E.; Wünsch, E.; Wulff, N.; Yiou, T. P.; Žáček, J.; Zhang, Z.; Zimmer, M.; Zimmermann, W.; Zomer, F.; Zuber, K.; H1 Collaboration

1994-11-01

Evidence is presented using data taken with the H1 detector at HERA for a class of deep inelastic electron-proton scattering (DIS) events (5 < Q2 < 120 GeV 2) at low Bjorken- x (10 -4 < x < 10 -2) which have almost no hadronic energy flow in a large interval of pseudo-rapidity around the proton remnant direction and which cannot be attributed to our present understanding of DIS and fluctuations in final state hadronic fragmentation. From an integrated luminosity of 273 nb -1, 734 events, that is about 5% of the total DIS sample, have no energy deposition greater than 400 MeV forward of laboratory pseudo-rapidity ηmax = 1.8 up to the largest measurable pseudo-rapidity of about 3.65. Evidence that about 10% of observed rapidity gap events are exclusive vector meson electroproduction is presented. Good descriptions of the data are obtained using models based either on a vector meson dominance like picture, which includes a large fraction of inelastic virtual photon dissociation, or on deep inelastic electron-pomeron scattering in which the partonic sub-structure of the latter is resolved.

Quantum Analogies in the Interaction between Acoustic Waves and Bubble Clouds

NASA Astrophysics Data System (ADS)

Parrales, Miguel A.; Rodriguez-Rodriguez, Javier

2014-11-01

Analogies between quantum mechanical and acoustical propagation phenomena have a great interest in academic research due to their ability to shed light on some complex quantum effects, which are impossible to visualize directly in the macroscopic world. In this talk, we describe a number of these analogies concerning the acoustic behavior of bubble clouds. Firstly, we show that the structure of the collective oscillation modes of a spherical bubble cloud resembles that of the atomic orbitals of a hydrogen atom. Secondly, we present an analogy between some perturbation methods used in quantum-electrodynamics and the computation of the acoustic response of the randomly distributed bubble cloud by considering the contribution to the total scattered pressure of the multiple scattering paths that take place inside the clouds. As an application of this analogy, we obtain the scattering cross-section of a diluted cloud, which remarkably mimics the quantum scattering of an neutron wave when passing through an atomic nucleus. Finally, we numerically reproduce the behavior of an electron in a covalent bond between two hydrogen atoms by simulating the acoustic wave propagation through two neighboring spherical bubble assemblages. Funded by the Spanish Ministry of Economy and Competitiveness through Grants DPI2011-28356-C03-01 and DPI2011-28356-C03-02.

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

DOE PAGES

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

2015-09-21

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

Electron scattering by molecules. II - Experimental methods and data

NASA Technical Reports Server (NTRS)

Trajmar, S.; Chutjian, A.; Register, D. F.

1983-01-01

Experimental techniques for measuring electron-molecule collision cross sections are briefly summarized. A survey of the available experimental cross section data is presented. The emphasis here is on elastic scattering, rotational, vibrational and electronic excitations, total electron scattering, and momentum transfer in the few eV to few hundred eV impact energy range. Reference is made to works concerned with high energy electron scattering, innershell and multi-electron excitations, conicidence methods and electron scattering in laser fields.

Coherent amplification of X-ray scattering from meso-structures

DOE PAGES

Lhermitte, Julien R.; Stein, Aaron; Tian, Cheng; ...

2017-07-10

Small-angle X-ray scattering (SAXS) often includes an unwanted background, which increases the required measurement time to resolve the sample structure. This is undesirable in all experiments, and may make measurement of dynamic or radiation-sensitive samples impossible. Here, we demonstrate a new technique, applicable when the scattering signal is background-dominated, which reduces the requisite exposure time. Our method consists of exploiting coherent interference between a sample with a designed strongly scattering `amplifier'. A modified angular correlation function is used to extract the symmetry of the interference term; that is, the scattering arising from the interference between the amplifier and the sample.more » This enables reconstruction of the sample's symmetry, despite the sample scattering itself being well below the intensity of background scattering. Thus, coherent amplification is used to generate a strong scattering term (well above background), from which sample scattering is inferred. We validate this method using lithographically defined test samples.« less

Calculated and scale model experimentally measured scattering from metallic structures in Instrument Landing System

DOT National Transportation Integrated Search

1974-03-01

Comparison is made of theoretically calculated and experimentally determined scattering from metallic tilted rectangles and vertical cylindrical scatterers. The scattering was experimentally measured in a scale model range at the Watertown Arsenal, W...

Structural-electrical coupling optimisation for radiating and scattering performances of active phased array antenna

NASA Astrophysics Data System (ADS)

Wang, Congsi; Wang, Yan; Wang, Zhihai; Wang, Meng; Yuan, Shuai; Wang, Weifeng

2018-04-01

It is well known that calculating and reducing of radar cross section (RCS) of the active phased array antenna (APAA) are both difficult and complicated. It remains unresolved to balance the performance of the radiating and scattering when the RCS is reduced. Therefore, this paper develops a structure and scattering array factor coupling model of APAA based on the phase errors of radiated elements generated by structural distortion and installation error of the array. To obtain the optimal radiating and scattering performance, an integrated optimisation model is built to optimise the installation height of all the radiated elements in normal direction of the array, in which the particle swarm optimisation method is adopted and the gain loss and scattering array factor are selected as the fitness function. The simulation indicates that the proposed coupling model and integrated optimisation method can effectively decrease the RCS and that the necessary radiating performance can be simultaneously guaranteed, which demonstrate an important application value in engineering design and structural evaluation of APAA.

Neutron Polarization Analysis for Biphasic Solvent Extraction Systems

DOE PAGES

Motokawa, Ryuhei; Endo, Hitoshi; Nagao, Michihiro; ...

2016-06-16

Here we performed neutron polarization analysis (NPA) of extracted organic phases containing complexes, comprised of Zr(NO 3) 4 and tri-n-butyl phosphate, which enabled decomposition of the intensity distribution of small-angle neutron scattering (SANS) into the coherent and incoherent scattering components. The coherent scattering intensity, containing structural information, and the incoherent scattering compete over a wide range of magnitude of scattering vector, q, specifically when q is larger than q* ≈ 1/R g, where R g is the radius of gyration of scatterer. Therefore, it is important to determine the incoherent scattering intensity exactly to perform an accurate structural analysis frommore » SANS data when R g is small, such as the aforementioned extracted coordination species. Although NPA is the best method for evaluating the incoherent scattering component for accurately determining the coherent scattering in SANS, this method is not used frequently in SANS data analysis because it is technically challenging. In this study, we successfully demonstrated that experimental determination of the incoherent scattering using NPA is suitable for sample systems containing a small scatterer with a weak coherent scattering intensity, such as extracted complexes in biphasic solvent extraction systems.« less

Monitoring muscle optical scattering properties during rigor mortis

NASA Astrophysics Data System (ADS)

Xia, J.; Ranasinghesagara, J.; Ku, C. W.; Yao, G.

2007-09-01

Sarcomere is the fundamental functional unit in skeletal muscle for force generation. In addition, sarcomere structure is also an important factor that affects the eating quality of muscle food, the meat. The sarcomere structure is altered significantly during rigor mortis, which is the critical stage involved in transforming muscle to meat. In this paper, we investigated optical scattering changes during the rigor process in Sternomandibularis muscles. The measured optical scattering parameters were analyzed along with the simultaneously measured passive tension, pH value, and histology analysis. We found that the temporal changes of optical scattering, passive tension, pH value and fiber microstructures were closely correlated during the rigor process. These results suggested that sarcomere structure changes during rigor mortis can be monitored and characterized by optical scattering, which may find practical applications in predicting meat quality.

ABC effect and resonance d*(2380)

NASA Astrophysics Data System (ADS)

Bashkanov, M.; Clement, H.; Doroshkevich, E.; Skorodko, T.

2017-11-01

A new state in the two-baryon system with mass 2380 MeV and width 80 MeV has been detected in the experiments at the Juelich Cooler Synchrotron (COSY). The new particle denoted now d*(2380) has quantum numbers I( J p ) = 0(3+). The total cross sections for the d and 4He fusion reactions show similar to each other resonance-like energy dependence. The resonance-like structure is sensed in the double-pionic fusion channels and polarized np scattering.

Elastic scattering and soft diffraction with ALFA

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

Puzo, P.

The ALFA detector in ATLAS aims at measuring the absolute luminosity and the total cross-section with 2-3% accuracy. Its uses elastically scattered protons whose impact position on a fiber detector, located 240 m away from the interaction point, allow a measurement of the scattering angle.

Local Structure and Short-Range Order in a NiCoCr Solid Solution Alloy

DOE PAGES

Zhang, F. X.; Zhao, Shijun; Jin, Ke; ...

2017-05-19

Multi-element solid solution alloys are intrinsically disordered on the atomic scale, and many of their advanced properties originate from the unique local structural characteristics. We measured the local structure of a NiCoCr solid solution alloy with X-ray/neutron total scattering and extended X-ray absorption fine structure (EXAFS) techniques. The atomic pair distribution function analysis (PDF) did not exhibit distinct structural distortion. But, EXAFS analysis suggested that the Cr atoms are favorably bonded with Ni and Co in the solid solution alloys. This short-range order (SRO) plays a role in the distinct low values of electrical and thermal conductivities in Ni-based solidmore » solution alloys when Cr is incorporated. Both the long-range and local structures of the NiCoCr alloy upon Ni ion irradiation were studied and an irradiation-induced enhancement of SRO was found.« less

Refractive effects and Airy structure in inelastic 16O+12C rainbow scattering

NASA Astrophysics Data System (ADS)

Ohkubo, S.; Hirabayashi, Y.; Ogloblin, A. A.; Gloukhov, Yu. A.; Dem'yanova, A. S.; Trzaska, W. H.

2014-12-01

Inelastic 16O+12C rainbow scattering to the 2+ (4.44 MeV) state of 12C was measured at the incident energies, EL = 170, 181, 200, 260, and 281 MeV. A systematic analysis of the experimental angular distributions was performed using the coupled-channels method with an extended double folding potential derived from realistic wave functions for 12C and 16O calculated with a microscopic α cluster model and a finite-range density-dependent nucleon-nucleon force. The coupled-channels analysis of the measured inelastic-scattering data shows consistently some Airy-like structure in the inelastic-scattering cross sections for the first 2+ state of 12C, which is somewhat obscured and still not clearly visible in the measured data. The Airy minimum was identified from the analysis and the systematic energy evolution of the Airy structure was studied. The Airy minimum in inelastic scattering is found to be shifted backward compared with that in elastic scattering.

Diffuse Scattering from Lead-Containing Ferroelectric Perovskite Oxides

DOE PAGES

Goossens, D. J.

2013-01-01

Ferroelectric materials rely on some type of non-centrosymmetric displacement correlations to give rise to a macroscopic polarisation. These displacements can show short-range order (SRO) that is reflective of the local chemistry, and so studying it reveals important information about how the structure gives rise to the technologically useful properties. A key means of exploring this SRO is diffuse scattering. Conventional structural studies use Bragg peak intensitiesto determine the average structure. In a single crystal diffuse scattering (SCDS) experiment, the coherent scattered intensity is measured at non-integer Miller indices, and can be used to examine the population of local configurations. Thismore » is because the diffuse scattering is sensitive to two-body averages, whereas the Bragg intensity gives single-body averages. This review outlines key results of SCDS studies on several materials and explores the similarities and differences in their diffuse scattering. Random strains are considered, as are models based on a phonon-like picture or a more local-chemistry oriented picture. Limitations of the technique are discussed.« less

Effect of molecular anisotropy on beam scattering measurements

NASA Technical Reports Server (NTRS)

Goldflam, R.; Green, S.; Kouri, D. J.; Monchick, L.

1978-01-01

Within the energy sudden approximation, the total integral and total differential scattering cross sections are given by the angle average of scattering cross sections computed at fixed rotor orientations. Using this formalism the effect of molecular anisotropy on scattering of He by HCl and by CO is examined. Comparisons with accurate close coupling calculations indicate that this approximation is quite reliable, even at very low collision energies, for both of these systems. Comparisons are also made with predictions based on the spherical average of the interaction. For HCl the anisotropy is rather weak and its main effect is a slight quenching of the oscillations in the differential cross sections relative to predictions of the spherical averaged potential. For CO the anisotropy is much stronger, so that the oscillatory pattern is strongly quenched and somewhat shifted. It appears that the sudden approximation provides a simple yet accurate method for describing the effect of molecular anisotropy on scattering measurements.

Robert Hofstadter, Electron Scattering, the Structure of the Nucleons, and

Science.gov Websites

, Electron Scattering, the Structure of the Nucleons, and Scintillation Counters Resources with Additional -point particles and therefore possessed structure. For this work Hofstadter was awarded the Nobel Prize structure of the nucleons, and scintillation counters is available in electronic documents and on the Web

Scatter sensitive microscopic techniques to identify contrasting mucosal structures in ultrahigh-resolution optical coherence tomograms of mouse colon

NASA Astrophysics Data System (ADS)

Tumlinson, Alexandre R.; Hariri, Lida P.; Drexler, Wolfgang; Barton, Jennifer K.

2008-02-01

Optical coherence tomography, optical coherence microscopy, reflectance confocal microscopy, and darkfield microscopy all derive contrast from the intensity of endogenous tissue scatter. We have imaged excised mouse colon tissue with these complimentary technologies to make conclusions about structural origins of scatter in the mouse colonic mucosa observed with endoscopic OCT. We find hyperintense scattering both from the cytoplasm of epithelial cells and from the boundary between epithelia and the lamina propria. We find almost no scatter from the portion of epithelial cells containing the nucleus. These observations substantiate explanations for the appearance of colonic crypts and the luminal surface.

EFFECTS OF LASER RADIATION ON MATTER. LASER PLASMA: Spatial distribution of laser radiation scattered in a plasma formed by optical breakdown of a gas

NASA Astrophysics Data System (ADS)

Bufetov, Igor'A.; Bufetova, G. A.; Fyodorov, V. B.

1994-12-01

Spatial distributions of laser radiation scattered by a laser spark were determined at different laser radiation wavelengths (λ = 1060, 530, 353, and 265 nm) and gas pressures (air at 10-760 Torr). An interference structure of the cone of the scattered radiation behind the spark was detected for the first time. The structure was attributed to interference of the radiation scattered in two or more self-focusing centres in the laser-spark plasma in air. The dependences of the maximum scattering angle on the gas pressure and on the laser radiation wavelength were determined experimentally.

A Fourier-based total-field/scattered-field technique for three-dimensional broadband simulations of elastic targets near a water-sand interface.

PubMed

Shao, Yu; Wang, Shumin

2016-12-01

The numerical simulation of acoustic scattering from elastic objects near a water-sand interface is critical to underwater target identification. Frequency-domain methods are computationally expensive, especially for large-scale broadband problems. A numerical technique is proposed to enable the efficient use of finite-difference time-domain method for broadband simulations. By incorporating a total-field/scattered-field boundary, the simulation domain is restricted inside a tightly bounded region. The incident field is further synthesized by the Fourier transform for both subcritical and supercritical incidences. Finally, the scattered far field is computed using a half-space Green's function. Numerical examples are further provided to demonstrate the accuracy and efficiency of the proposed technique.

Scattering and the Point Spread Function of the New Generation Space Telescope

NASA Technical Reports Server (NTRS)

Schreur, Julian J.

1996-01-01

Preliminary design work on the New Generation Space Telescope (NGST) is currently under way. This telescope is envisioned as a lightweight, deployable Cassegrain reflector with an aperture of 8 meters, and an effective focal length of 80 meters. It is to be folded into a small-diameter package for launch by an Atlas booster, and unfolded in orbit. The primary is to consist of an octagon with a hole at the center, and with eight segments arranged in a flower petal configuration about the octagon. The comers of the petal-shaped segments are to be trimmed so that the package will fit atop the Atlas booster. This mirror, along with its secondary will focus the light from a point source into an image which is spread from a point by diffraction effects, figure errors, and scattering of light from the surface. The distribution of light in the image of a point source is called a point spread function (PSF). The obstruction of the incident light by the secondary mirror and its support structure, the trimmed corners of the petals, and the grooves between the segments all cause the diffraction pattern characterizing an ideal point spread function to be changed, with the trimmed comers causing the rings of the Airy pattern to become broken up, and the linear grooves causing diffraction spikes running radially away from the central spot, or Airy disk. Any figure errors the mirror segments may have, or any errors in aligning the petals with the central octagon will also spread the light out from the ideal point spread function. A point spread function for a mirror the size of the NGST and having an incident wavelength of 900 nm is considered. Most of the light is confined in a circle with a diameter of 0.05 arc seconds. The ring pattern ranges in intensity from 10(exp -2) near the center to 10(exp -6) near the edge of the plotted field, and can be clearly discerned in a log plot of the intensity. The total fraction of the light scattered from this point spread function is called the total integrated scattering (TIS), and the fraction remaining is called the Strehl ratio. The angular distribution of the scattered light is called the angle resolved scattering (ARS), and it shows a strong spike centered on a scattering angle of zero, and a broad , less intense distribution at larger angles. It is this scattered light, and its effect on the point spread function which is the focus of this study.

Inverse scattering pre-stack depth imaging and it's comparison to some depth migration methods for imaging rich fault complex structure

NASA Astrophysics Data System (ADS)

Nurhandoko, Bagus Endar B.; Sukmana, Indriani; Mubarok, Syahrul; Deny, Agus; Widowati, Sri; Kurniadi, Rizal

2012-06-01

Migration is important issue for seismic imaging in complex structure. In this decade, depth imaging becomes important tools for producing accurate image in depth imaging instead of time domain imaging. The challenge of depth migration method, however, is in revealing the complex structure of subsurface. There are many methods of depth migration with their advantages and weaknesses. In this paper, we show our propose method of pre-stack depth migration based on time domain inverse scattering wave equation. Hopefully this method can be as solution for imaging complex structure in Indonesia, especially in rich thrusting fault zones. In this research, we develop a recent advance wave equation migration based on time domain inverse scattering wave which use more natural wave propagation using scattering wave. This wave equation pre-stack depth migration use time domain inverse scattering wave equation based on Helmholtz equation. To provide true amplitude recovery, an inverse of divergence procedure and recovering transmission loss are considered of pre-stack migration. Benchmarking the propose inverse scattering pre-stack depth migration with the other migration methods are also presented, i.e.: wave equation pre-stack depth migration, waveequation depth migration, and pre-stack time migration method. This inverse scattering pre-stack depth migration could image successfully the rich fault zone which consist extremely dip and resulting superior quality of seismic image. The image quality of inverse scattering migration is much better than the others migration methods.

Grazing-incidence small angle x-ray scattering studies of nanoscale polymer gratings

NASA Astrophysics Data System (ADS)

Doxastakis, Manolis; Suh, Hyo Seon; Chen, Xuanxuan; Rincon Delgadillo, Paulina A.; Wan, Lingshu; Williamson, Lance; Jiang, Zhang; Strzalka, Joseph; Wang, Jin; Chen, Wei; Ferrier, Nicola; Ramirez-Hernandez, Abelardo; de Pablo, Juan J.; Gronheid, Roel; Nealey, Paul

2015-03-01

Grazing-Incidence Small Angle X-ray Scattering (GISAXS) offers the ability to probe large sample areas, providing three-dimensional structural information at high detail in a thin film geometry. In this study we exploit the application of GISAXS to structures formed at one step of the LiNe (Liu-Nealey) flow using chemical patterns for directed self-assembly of block copolymer films. Experiments conducted at the Argonne National Laboratory provided scattering patterns probing film characteristics at both parallel and normal directions to the surface. We demonstrate the application of new computational methods to construct models based on scattering measured. Such analysis allows for extraction of structural characteristics at unprecedented detail.

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

NASA Astrophysics Data System (ADS)

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

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

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

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

Hanson, A.L.; Pearlstein, S.

1992-05-01

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

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

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

Hanson, A.L.; Pearlstein, S.

1992-05-01

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

Structural characterization of the phospholipid stabilizer layer at the solid-liquid interface of dispersed triglyceride nanocrystals with small-angle x-ray and neutron scattering

NASA Astrophysics Data System (ADS)

Schmiele, Martin; Schindler, Torben; Unruh, Tobias; Busch, Sebastian; Morhenn, Humphrey; Westermann, Martin; Steiniger, Frank; Radulescu, Aurel; Lindner, Peter; Schweins, Ralf; Boesecke, Peter

2013-06-01

Dispersions of crystalline nanoparticles with at least one sufficiently large unit cell dimension can give rise to Bragg reflections in the small-angle scattering range. If the nanocrystals possess only a small number of unit cells along these particular crystallographic directions, the corresponding Bragg reflections will be broadened. In a previous study of phospholipid stabilized dispersions of β-tripalmitin platelets [Unruh, J. Appl. Crystallogr.JACGAR0021-889810.1107/S0021889807044378 40, 1008 (2007)], the x-ray powder pattern simulation analysis (XPPSA) was developed. The XPPSA method facilitates the interpretation of the rather complicated small-angle x-ray scattering (SAXS) curves of such dispersions of nanocrystals. The XPPSA method yields the distribution function of the platelet thicknesses and facilitates a structural characterization of the phospholipid stabilizer layer at the solid-liquid interface between the nanocrystals and the dispersion medium from the shape of the broadened 001 Bragg reflection. In this contribution an improved and extended version of the XPPSA method is presented. The SAXS and small-angle neutron scattering patterns of dilute phospholipid stabilized tripalmitin dispersions can be reproduced on the basis of a consistent simulation model for the particles and their phospholipid stabilizer layer on an absolute scale. The results indicate a surprisingly flat arrangement of the phospholipid molecules in the stabilizer layer with a total thickness of only 12 Å. The stabilizer layer can be modeled by an inner shell for the fatty acid chains and an outer shell including the head groups and additional water. The experiments support a dense packing of the phospholipid molecules on the nanocrystal surfaces rather than isolated phospholipid domains.

Anomalous Electron Spectrum and Its Relation to Peak Structure of Electron Scattering Rate in Cuprate Superconductors

NASA Astrophysics Data System (ADS)

Gao, Deheng; Mou, Yingping; Feng, Shiping

2018-02-01

The recent discovery of a direct link between the sharp peak in the electron quasiparticle scattering rate of cuprate superconductors and the well-known peak-dip-hump structure in the electron quasiparticle excitation spectrum is calling for an explanation. Within the framework of the kinetic-energy-driven superconducting mechanism, the complicated line-shape in the electron quasiparticle excitation spectrum of cuprate superconductors is investigated. It is shown that the interaction between electrons by the exchange of spin excitations generates a notable peak structure in the electron quasiparticle scattering rate around the antinodal and nodal regions. However, this peak structure disappears at the hot spots, which leads to that the striking peak-dip-hump structure is developed around the antinodal and nodal regions, and vanishes at the hot spots. The theory also confirms that the sharp peak observed in the electron quasiparticle scattering rate is directly responsible for the remarkable peak-dip-hump structure in the electron quasiparticle excitation spectrum of cuprate superconductors.

Effects of multiple scattering on time- and depth-resolved signals in airborne lidar systems

NASA Technical Reports Server (NTRS)

Punjabi, A.; Venable, D. D.

1986-01-01

A semianalytic Monte Carlo radiative transfer model (SALMON) is employed to probe the effects of multiple-scattering events on the time- and depth-resolved lidar signals from homogeneous aqueous media. The effective total attenuation coefficients in the single-scattering approximation are determined as functions of dimensionless parameters characterizing the lidar system and the medium. Results show that single-scattering events dominate when these parameters are close to their lower bounds and that when their values exceed unity multiple-scattering events dominate.

Theory of Parabolic Arcs in Interstellar Scintillation Spectra

NASA Astrophysics Data System (ADS)

Cordes, James M.; Rickett, Barney J.; Stinebring, Daniel R.; Coles, William A.

2006-01-01

Interstellar scintillation (ISS), observed as time variation in the intensity of a compact radio source, is caused by small-scale structure in the electron density of the interstellar plasma. Dynamic spectra of ISS show modulation in radio frequency and time. Here we relate the (two-dimensional) power spectrum of the dynamic spectrum-the secondary spectrum-to the scattered image of the source. Recent work has identified remarkable parabolic arcs in secondary spectra. Each point in a secondary spectrum corresponds to interference between points in the scattered image with a certain Doppler shift and a certain delay. The parabolic arc corresponds to the quadratic relation between differential Doppler shift and delay through their common dependence on scattering angle. We show that arcs will occur in all media that scatter significant power at angles larger than the rms angle. Thus, effects such as source diameter, steep spectra, and dissipation scales, which truncate high angle scattering, also truncate arcs. Arcs are equally visible in simulations of nondispersive scattering. They are enhanced by anisotropic scattering when the spatial structure is elongated perpendicular to the velocity. In weak scattering the secondary spectrum is directly mapped from the scattered image, and this mapping can be inverted. We discuss additional observed phenomena including multiple arcs and reverse arclets oriented oppositely to the main arc. These phenomena persist for many refractive scattering times, suggesting that they are due to large-scale density structures, rather than low-frequency components of Kolmogorov turbulence.

Convergent close-coupling calculations of positron-magnesium scattering

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

Savage, Jeremy S.; Fursa, Dmitry V.; Bray, Igor

2011-06-15

The single-center convergent close-coupling method has been applied to positron-magnesium scattering at incident energies from 0.01 to 100 eV. Cross sections are presented for elastic scattering and excitation of 3 {sup 1}P, as well as for the total ionization and total scattering processes. We also provide an estimate of the positronium formation cross section. The results agree very well with the measurements of the total cross section by Stein et al. [Nucl. Instrum. Methods Phys. Res. Sect. B 143, 68 (1998)], and consistent with the positronium formation measurements of Surdutovich et al. [Phys. Rev. A 68, 022709 (2003)] for positronmore » energies above the ionization threshold. For energies below the positronium formation threshold (0.8 eV) we find a large P-wave resonance at 0.17 eV. A similar resonance behavior was found by Mitroy and Bromley [Phys. Rev. Lett. 98, 173001 (2007)] at an energy of 0.1 eV.« less

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

PubMed Central

Anfinrud, Philip

2010-01-01

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

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

PubMed

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

2010-04-20

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

Single crystal to polycrystal neutron transmission simulation

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

Dessieux, Luc Lucius; Stoica, Alexandru Dan; Bingham, Philip R.

A collection of routines for calculation of the total cross section that determines the attenuation of neutrons by crystalline solids is presented. The total cross section is calculated semi-empirically as a function of crystal structure, neutron energy, temperature, and crystal orientation. The semi-empirical formula includes the contribution of parasitic Bragg scattering to the total cross section using both the crystal’s mosaic spread value and its orientation with respect to the neutron beam direction as parameters. These routines allow users to enter a distribution of crystal orientations for calculation of total cross sections of user defined powder or pseudo powder distributions,more » which enables simulation of non-uniformities such as texture and strain. In conclusion, the spectra for neutron transmission simulations in the neutron thermal energy range (2 meV–100 meV) are presented for single crystal and polycrystal samples and compared to measurements.« less

Single crystal to polycrystal neutron transmission simulation

DOE PAGES

Dessieux, Luc Lucius; Stoica, Alexandru Dan; Bingham, Philip R.

2018-02-02

A collection of routines for calculation of the total cross section that determines the attenuation of neutrons by crystalline solids is presented. The total cross section is calculated semi-empirically as a function of crystal structure, neutron energy, temperature, and crystal orientation. The semi-empirical formula includes the contribution of parasitic Bragg scattering to the total cross section using both the crystal’s mosaic spread value and its orientation with respect to the neutron beam direction as parameters. These routines allow users to enter a distribution of crystal orientations for calculation of total cross sections of user defined powder or pseudo powder distributions,more » which enables simulation of non-uniformities such as texture and strain. In conclusion, the spectra for neutron transmission simulations in the neutron thermal energy range (2 meV–100 meV) are presented for single crystal and polycrystal samples and compared to measurements.« less

SU-E-I-44: Some Preliminary Analysis of Angular Distribution of X-Ray Scattered On Soft Tissues

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

Ganezer, K; Krmar, M; Cvejic, Z

2015-06-15

Purpose: The angular distribution of x-radiation scattered at small angles (up to 16 degrees) from several different animal soft tissue (skin, fat, muscle, retina, etc) were measured using standard equipment devoted to study of crystal structure which provides excellent geometry conditions of measurements. showed measurable differences for different tissues. In the simplest possible case when measured samples do not differ in structure (different concentration solutions) it can be seen that intensity of scattered radiation is decreasing function of the concentration and the peak of the maximum of scattering distribution depends on the concentration as well. Methods: An x-ray scattering profilemore » usually consists of sharp diffraction peak; however some properties of the spatial profiles of scattered radiation as intensity, the peak position, height, area, FWHM, the ratio of peak heights, etc. Results: The data contained measurable differences for different tissues. In the simplest possible case when measured samples do not differ in structure (different concentration solutions) it can be seen that intensity of scattered radiation is decreasing function of the concentration and the peak of the maximum of scattering distribution depends on the concentration as well. Measurements of different samples in the very preliminary phase showed that simple biological material used in study showed slightly different scattering pattern, especially at higher angles (around 10degrees). Intensity of radiation scattered from same tissue type is very dependent on water content and several more parameters. Conclusion: This preliminary study using animal soft tissues on the angular distributions of scattered x-rays suggests that angular distributions of X-rays scattered off of soft tissues might be useful in distinguishing healthy tissue from malignant soft tissue.« less

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

PubMed Central

Van Benschoten, Andrew H.; Afonine, Pavel V.; Terwilliger, Thomas C.; Wall, Michael E.; Jackson, Colin J.; Sauter, Nicholas K.; Adams, Paul D.; Urzhumtsev, Alexandre; Fraser, James S.

2015-01-01

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. PMID:26249347

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

DOE PAGES

Van Benschoten, Andrew H.; Afonine, Pavel V.; Terwilliger, Thomas C.; ...

2015-07-28

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'smore » 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. In addition, these methods demonstrate how, in principle, X-ray diffuse scattering could extend macromolecular structural refinement, validation and analysis.« less

The k-space origins of scattering in Bi2Sr2CaCu2O8+x

NASA Astrophysics Data System (ADS)

Alldredge, Jacob W.; Calleja, Eduardo M.; Dai, Jixia; Eisaki, H.; Uchida, S.; McElroy, Kyle

2013-08-01

We demonstrate a general, computer automated procedure that inverts the reciprocal space scattering data (q-space) that are measured by spectroscopic imaging scanning tunnelling microscopy (SI-STM) in order to determine the momentum space (k-space) scattering structure. This allows a detailed examination of the k-space origins of the quasiparticle interference (QPI) pattern in Bi2Sr2CaCu2O8+x within the theoretical constraints of the joint density of states (JDOS). Our new method allows measurement of the differences between the positive and negative energy dispersions, the gap structure and an energy dependent scattering length scale. Furthermore, it resolves the transition between the dispersive QPI and the checkerboard ({q}_{1}^{\\ast } excitation). We have measured the k-space scattering structure over a wide range of doping (p ˜ 0.22-0.08), including regions where the octet model is not applicable. Our technique allows the complete mapping of the k-space scattering origins of the spatial excitations in Bi2Sr2CaCu2O8+x, which allows for better comparisons between SI-STM and other experimental probes of the band structure. By applying our new technique to such a heavily studied compound, we can validate our new general approach for determining the k-space scattering origins from SI-STM data.

The k-space origins of scattering in Bi2Sr2CaCu2O8+x.

PubMed

Alldredge, Jacob W; Calleja, Eduardo M; Dai, Jixia; Eisaki, H; Uchida, S; McElroy, Kyle

2013-08-21

We demonstrate a general, computer automated procedure that inverts the reciprocal space scattering data (q-space) that are measured by spectroscopic imaging scanning tunnelling microscopy (SI-STM) in order to determine the momentum space (k-space) scattering structure. This allows a detailed examination of the k-space origins of the quasiparticle interference (QPI) pattern in Bi2Sr2CaCu2O8+x within the theoretical constraints of the joint density of states (JDOS). Our new method allows measurement of the differences between the positive and negative energy dispersions, the gap structure and an energy dependent scattering length scale. Furthermore, it resolves the transition between the dispersive QPI and the checkerboard ([Formula: see text] excitation). We have measured the k-space scattering structure over a wide range of doping (p ∼ 0.22-0.08), including regions where the octet model is not applicable. Our technique allows the complete mapping of the k-space scattering origins of the spatial excitations in Bi2Sr2CaCu2O8+x, which allows for better comparisons between SI-STM and other experimental probes of the band structure. By applying our new technique to such a heavily studied compound, we can validate our new general approach for determining the k-space scattering origins from SI-STM data.

A modified Lax-Phillips scattering theory for quantum mechanics

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

Strauss, Y., E-mail: ystrauss@cs.bgu.ac.il

The Lax-Phillips scattering theory is an appealing abstract framework for the analysis of scattering resonances. Quantum mechanical adaptations of the theory have been proposed. However, since these quantum adaptations essentially retain the original structure of the theory, assuming the existence of incoming and outgoing subspaces for the evolution and requiring the spectrum of the generator of evolution to be unbounded from below, their range of applications is rather limited. In this paper, it is shown that if we replace the assumption regarding the existence of incoming and outgoing subspaces by the assumption of the existence of Lyapunov operators for themore » quantum evolution (the existence of which has been proved for certain classes of quantum mechanical scattering problems), then it is possible to construct a structure analogous to the Lax-Phillips structure for scattering problems for which the spectrum of the generator of evolution is bounded from below.« less

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

DOEpatents

Atac, Muzaffer; McKay, Timothy

1999-01-01

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

Multipolar response of nonspherical silicon nanoparticles in the visible and near-infrared spectral ranges

NASA Astrophysics Data System (ADS)

Terekhov, Pavel D.; Baryshnikova, Kseniia V.; Artemyev, Yuriy A.; Karabchevsky, Alina; Shalin, Alexander S.; Evlyukhin, Andrey B.

2017-07-01

Spectral multipole resonances of parallelepiped-, pyramid-, and cone-like shaped silicon nanoparticles excited by linearly polarized light waves are theoretically investigated. The numerical finite element method is applied for the calculations of the scattering cross sections as a function of the nanoparticles geometrical parameters. The roles of multipole moments (up to the third order) in the scattering process are analyzed using the semianalytical multipole decomposition approach. The possibility of scattering pattern configuration due to the tuning of the multipole contributions to the total scattered waves is discussed and demonstrated. It is shown that cubic nanoparticles can provide a strong isotropic side scattering with minimization of the scattering in forward and backward directions. In the case of the pyramidal and conical nanoparticles the total suppression of the side scattering can be obtained. It was found that due to the shape factor of the pyramidal and conical nanoparticles their electric toroidal dipole resonance can be excited in the spectral region of the first electric and magnetic dipole resonances. The influence of the incident light directions on the optical response of the pyramidal and conical nanoparticles is discussed. The obtained results provide important information that can be used for the development of nanoantennas with improved functionality due to the directional scattering effects.

A Phase-Conjugate-Mirror Inspired Approach for Building Cloaking Structures with Left-handed Materials

PubMed Central

Zheng, Guoan; Heng, Xin; Yang, Changhuei

2009-01-01

A phase conjugate mirror (PCM) has a remarkable property of cancellation the back-scattering wave of the lossless scatterers. The similarity of a phase conjugate mirror to the interface of a matched RHM (right-handed material) and a LHM (left-handed material) prompts us to explore the potentials of using the RHM-LHM structure to achieve the anti-scattering property of the PCM. In this paper, we present two such structures. The first one is a RHM-LHM cloaking structure with a lossless arbitrary-shape scatterer imbedded in the RHM and its left-handed duplicate imbedded in the matched LHM. It is shown that such a structure is transparent to the incident electromagnetic (EM) field. As a special case of this structure, we proposed an EM tunnel that allows EM waves to spatially transport to another location in space without significant distortion and reflection. The second one is an RHM-PEC (perfect electric conductor)-LHM cloaking structure, which is composed of a symmetric conducting shell embedded in the interface junction of an RHM and the matched LHM layer. Such a structure presents an anomalously small scattering cross-section to an incident propagating EM field, and the interior of the shell can be used to shield small objects (size comparable to the wavelength) from interrogation. We report the results of 2D finite-element-method (FEM) simulations that were performed to verify our idea, and discuss the unique properties of the proposed structures as well as their limitations. PMID:20126415

Radiative entropy generation in a gray absorbing, emitting, and scattering planar medium at radiative equilibrium

NASA Astrophysics Data System (ADS)

Sadeghi, Pegah; Safavinejad, Ali

2017-11-01

Radiative entropy generation through a gray absorbing, emitting, and scattering planar medium at radiative equilibrium with diffuse-gray walls is investigated. The radiative transfer equation and radiative entropy generation equations are solved using discrete ordinates method. Components of the radiative entropy generation are considered for two different boundary conditions: two walls are at a prescribed temperature and mixed boundary conditions, which one wall is at a prescribed temperature and the other is at a prescribed heat flux. The effect of wall emissivities, optical thickness, single scattering albedo, and anisotropic-scattering factor on the entropy generation is attentively investigated. The results reveal that entropy generation in the system mainly arises from irreversible radiative transfer at wall with lower temperature. Total entropy generation rate for the system with prescribed temperature at walls remarkably increases as wall emissivity increases; conversely, for system with mixed boundary conditions, total entropy generation rate slightly decreases. Furthermore, as the optical thickness increases, total entropy generation rate remarkably decreases for the system with prescribed temperature at walls; nevertheless, for the system with mixed boundary conditions, total entropy generation rate increases. The variation of single scattering albedo does not considerably affect total entropy generation rate. This parametric analysis demonstrates that the optical thickness and wall emissivities have a significant effect on the entropy generation in the system at radiative equilibrium. Considering the parameters affecting radiative entropy generation significantly, provides an opportunity to optimally design or increase overall performance and efficiency by applying entropy minimization techniques for the systems at radiative equilibrium.

Scattering and Imaging of Nonlinearly Loaded Antenna Structures in Half-Space and Complex-Room Environments

DTIC Science & Technology

2014-09-01

ABSTRACT The electromagnetic scattering responses of nonlinearly loaded antenna structures excited by single- tone or multi- tone incident fields are...3  Fig. 2 Monostatic scattered electric field strength for center array element: a) Single- tone excitation at 300 MHz...three diode-loaded targets and b) Two- tone excitation at 300 MHz and 305 MHz; two varactor-loaded targets

Reliability analysis of composite structures

NASA Technical Reports Server (NTRS)

Kan, Han-Pin

1992-01-01

A probabilistic static stress analysis methodology has been developed to estimate the reliability of a composite structure. Closed form stress analysis methods are the primary analytical tools used in this methodology. These structural mechanics methods are used to identify independent variables whose variations significantly affect the performance of the structure. Once these variables are identified, scatter in their values is evaluated and statistically characterized. The scatter in applied loads and the structural parameters are then fitted to appropriate probabilistic distribution functions. Numerical integration techniques are applied to compute the structural reliability. The predicted reliability accounts for scatter due to variability in material strength, applied load, fabrication and assembly processes. The influence of structural geometry and mode of failure are also considerations in the evaluation. Example problems are given to illustrate various levels of analytical complexity.

Structural studies of RNA-protein complexes: A hybrid approach involving hydrodynamics, scattering, and computational methods.

PubMed

Patel, Trushar R; Chojnowski, Grzegorz; Astha; Koul, Amit; McKenna, Sean A; Bujnicki, Janusz M

2017-04-15

The diverse functional cellular roles played by ribonucleic acids (RNA) have emphasized the need to develop rapid and accurate methodologies to elucidate the relationship between the structure and function of RNA. Structural biology tools such as X-ray crystallography and Nuclear Magnetic Resonance are highly useful methods to obtain atomic-level resolution models of macromolecules. However, both methods have sample, time, and technical limitations that prevent their application to a number of macromolecules of interest. An emerging alternative to high-resolution structural techniques is to employ a hybrid approach that combines low-resolution shape information about macromolecules and their complexes from experimental hydrodynamic (e.g. analytical ultracentrifugation) and solution scattering measurements (e.g., solution X-ray or neutron scattering), with computational modeling to obtain atomic-level models. While promising, scattering methods rely on aggregation-free, monodispersed preparations and therefore the careful development of a quality control pipeline is fundamental to an unbiased and reliable structural determination. This review article describes hydrodynamic techniques that are highly valuable for homogeneity studies, scattering techniques useful to study the low-resolution shape, and strategies for computational modeling to obtain high-resolution 3D structural models of RNAs, proteins, and RNA-protein complexes. Copyright © 2016 The Author(s). Published by Elsevier Inc. All rights reserved.

A Verification of Aerosol Optical Depth Retrieval Using the Terra Satellite

DTIC Science & Technology

2012-06-01

of the signal which can be used to calculate total optical depth (from Vincent 2006).............................................................5... signals isolates the direct transmission component of the signal which can be used to calculate total optical depth (from Vincent 2006). 6 2...fully backscattered condition to fully forward scattered, respectively. Values fro the single scatter albedo and the asymmetry parameter can be

University of Maryland MRSEC - Research: IRG1

Science.gov Websites

structure based on fundamental interactions, to device preparation and characterization. Materials systems figure: Electrical current in nanoscale structure perturbed by scattering at atomic scale features on its surfaces. An electrical current in a nanoscale structure is perturbed by scattering at atomic scale

Tissue structure characterization of biotissue phantom by use of the speckle-correlometric technique

NASA Astrophysics Data System (ADS)

Isaeva, A. A.; Isaeva, E. A.; Zimnyakov, D. A.; Pantyukov, A. V.; Agapova, Y. V.; Macheyev, M. A.

2017-03-01

Speckle correlometry gives the possibilities to visualize tissue scattering structure analyzing the correlation characteristics of speckle-modulated images. In this work, the inhomogeneous multiple scattering medium with the "dynamic" long inclusions was investigated like a blood vessels in living tissue. The scattering media is 0.28% weight fraction of gelatin dissolved in water and 1 gram per liter (gL-1) and 100 mg per liter (gL-1) of TiO2 for optical scattering. The movement of fluid (distilled water) in the cylindrical hole with given radius simulate a blood motion in the vessel. It was shown the possibility to determinate the depth location of dynamic inhomogeneities inside a scattering medium.

The Structure of Ethylbenzene, Styrene and Phenylacetylene Determined by Total Neutron Scattering.

PubMed

Szala-Bilnik, Joanna; Falkowska, Marta; Bowron, Daniel T; Hardacre, Christopher; Youngs, Tristan G A

2017-09-20

Organic solvents such as phenylacetylene, styrene and ethylbenzene are widely used in industrial processes, especially in the production of rubber or thermoplastics. Despite their important applications detailed knowledge about their structure is limited. In this paper the structures of these three aromatic solvents were investigated using neutron diffraction. The results show that many of their structural characteristics are similar, although the structure of phenylacetylene is more ordered and has a smaller solvation sphere than either ethylbenzene or styrene. Two regions within the first coordination sphere, in which the surrounding molecules show different preferable orientations with respect to the central molecule, were found for each liquid. Additionally, the localisation of the aliphatic chains reveals that they tend to favour closer interactions with each other than to the aromatic rings of the adjacent molecules. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Novel method to control antenna currents based on theory of characteristic modes

NASA Astrophysics Data System (ADS)

Elghannai, Ezdeen Ahmed

Characteristic Mode Theory is one of the very few numerical methods that provide a great deal of physical insight because it allows us to determine the natural modes of the radiating structure. The key feature of these modes is that the total induced antenna current, input impedance/admittance and radiation pattern can be expressed as a linear weighted combination of individual modes. Using this decomposition method, it is possible to study the behavior of the individual modes, understand them and therefore control the antennas behavior; in other words, control the currents induced on the antenna structure. This dissertation advances the topic of antenna design by carefully controlling the antenna currents over the desired frequency band to achieve the desired performance specifications for a set of constraints. Here, a systematic method based on the Theory of Characteristic Modes (CM) and lumped reactive loading to achieve the goal of current control is developed. The lumped reactive loads are determined based on the desired behavior of the antenna currents. This technique can also be used to impedance match the antenna to the source/generator connected to it. The technique is much more general than the traditional impedance matching. Generally, the reactive loads that properly control the currents exhibit a combination of Foster and non-Foster behavior. The former can be implemented with lumped passive reactive components, while the latter can be implemented with lumped non-Foster circuits (NFC). The concept of current control is applied to design antennas with a wide band (impedance/pattern) behavior using reactive loads. We successfully applied this novel technique to design multi band and wide band antennas for wireless applications. The technique was developed to match the antenna to resistive and/or complex source impedance and control the radiation pattern at these frequency bands, considering size and volume constraints. A wide band patch antenna was achieved using the developed technique. In addition, the technique was applied to multi band wire less Universal Serial Bus (USB) dongle antenna that serves for WLAN IEEE 802.11 a/b/g/n band applications and Radio Frequency Identification (RFID) tag antenna for 915MHz band applications with superior performance compared to previous published results. This dissertation also discusses the total Q of an antenna from the CM standpoint. A new expression as well as additional physical information about each mode's individual contribution to the total antenna Q are provided. Finally, the theory is used to an analyze the antenna in both radiation and/or scattering modes. In the antenna scattering mode, the field scattered by an antenna contains a component that is the short circuit scattered field, and a second component that is proportional to the radiation field. In this dissertation, an analytical study of this phenomena from the CM standpoint is performed aiming to shed some light on antenna scattering phenomenon where additional physical insight is obtained and thus used to reach desire results.

Scattering properties of normal and cancerous tissues from human stomach based on phase-contrast microscope

NASA Astrophysics Data System (ADS)

Zhang, Hui; Li, Zhifang; Li, Hui

2012-12-01

In order to study scattering properties of normal and cancerous tissues from human stomach, we collect images for human gastric specimens by using phase-contrast microscope. The images were processed by the way of mathematics morphology. The equivalent particle size distribution of tissues can be obtained. Combining with Mie scattering theory, the scattering properties of tissues can be calculated. Assume scattering of light in biological tissue can be seen as separate scattering events by different particles, total scattering properties can be equivalent to as scattering sum of particles with different diameters. The results suggest that scattering coefficient of the cancerous tissue is significantly higher than that of normal tissue. The scattering phase function is different especially in the backscattering area. Those are significant clinical benefits to diagnosis cancerous tissue

Small-angle neutron scattering study of a monoclonal antibody using free-energy constraints.

PubMed

Clark, Nicholas J; Zhang, Hailiang; Krueger, Susan; Lee, Hyo Jin; Ketchem, Randal R; Kerwin, Bruce; Kanapuram, Sekhar R; Treuheit, Michael J; McAuley, Arnold; Curtis, Joseph E

2013-11-14

Monoclonal antibodies (mAbs) contain hinge-like regions that enable structural flexibility of globular domains that have a direct effect on biological function. A subclass of mAbs, IgG2, have several interchain disulfide bonds in the hinge region that could potentially limit structural flexibility of the globular domains and affect the overall configuration space available to the mAb. We have characterized human IgG2 mAb in solution via small-angle neutron scattering (SANS) and interpreted the scattering data using atomistic models. Molecular Monte Carlo combined with molecular dynamics simulations of a model mAb indicate that a wide range of structural configurations are plausible, spanning radius of gyration values from ∼39 to ∼55 Å. Structural ensembles and representative single structure solutions were derived by comparison of theoretical SANS profiles of mAb models to experimental SANS data. Additionally, molecular mechanical and solvation free-energy calculations were carried out on the ensemble of best-fitting mAb structures. The results of this study indicate that low-resolution techniques like small-angle scattering combined with atomistic molecular simulations with free-energy analysis may be helpful to determine the types of intramolecular interactions that influence function and could lead to deleterious changes to mAb structure. This methodology will be useful to analyze small-angle scattering data of many macromolecular systems.

PREFACE: The First Eighteen Years of Reverse Monte Carlo Modelling, a workshop held in Budapest, Hungary (28 30th September 2006)

NASA Astrophysics Data System (ADS)

Keen, David A.; Pusztai, László

2007-08-01

This Special Issue contains a collection of papers reflecting the content of the third workshop on reverse Monte Carlo (RMC) methods, held in a hotel on hills overlooking Budapest at the end of September 2006. Over forty participants gathered to hear talks and discuss a broad range of science based on the RMC technique in very convivial surroundings. Reverse Monte Carlo modelling is a method for producing three-dimensional disordered structural models in quantitative agreement with experimental data. The method was developed in the late 1980s and has since achieved wide acceptance within the scientific community [1]. It is particularly suitable for studies of the structures of liquid and amorphous materials, although it may also be applied effectively to the structural analysis of disordered crystalline systems. Since the previous RMC workshop in 2003 [2] there have been several developments in the technique, particularly as applied to crystals, and in the range of its application, most noticeable being the routine modelling of multiple data sets for a given problem; the latter growing through the increasing quality and availability of x-ray total scattering data from synchrotron x-ray sources. The RMC workshop was particularly beneficial, providing a forum for those workers in the field to take stock of past achievements and to look forward to future developments. It is our hope that the collection of papers within this Special Issue will also communicate this to the wider scientific community, providing a balance between papers that have more of an introductory review flavour and those that concentrate on current state of the art research opportunities using the RMC method. Furthermore, by including a small number of papers from colleagues working on similar disordered problems with complementary analysis techniques, we hope that the RMC method may be placed in a broader scientific context. The papers within this special issue have been arranged into four groups: those concerning liquids (1-8), amorphous (9-13) and crystalline materials (14-17) and those of a more general nature (18-23). Within these groupings, there are descriptions of RMCProfile (18) and RMCt (23), programs which use RMC methods to analyse total scattering from crystalline materials and to model inelastic neutron scattering data, respectively. There is also work using the related EPSR (6) and PDFfit (19) techniques, developments of the RMC method for analysis of single crystal electron diffraction (16) or polarised neutron diffraction (7), and examples of simultaneous RMC modelling of neutron and x-ray total scattering and XAS data (13, 10) . We are very grateful to IoP Publishing for their willingness to publish the proceedings of this meeting in a Special Issue of Journal of Physics: Condensed Matter. References [1] McGreevy R L 2001 J. Phys.: Cond. Matter 13 R877 [2] RMC-2 Workshop Proceedings 2005 J. Phys.: Cond. Matter 17 S1-S174

A comparison of the amorphization of zeolitic imidazolate frameworks (ZIFs) and aluminosilicate zeolites by ball-milling.

PubMed

Baxter, Emma F; Bennett, Thomas D; Cairns, Andrew B; Brownbill, Nick J; Goodwin, Andrew L; Keen, David A; Chater, Philip A; Blanc, Frédéric; Cheetham, Anthony K

2016-03-14

X-ray diffraction has been used to investigate the kinetics of amorphization through ball-milling at 20 Hz, for five zeolitic imidazolate frameworks (ZIFs) - ZIF-8, ZIF-4, ZIF-zni, BIF-1-Li and CdIF-1. We find that the rates of amorphization for the zinc-containing ZIFs increase with increasing solvent accessible volume (SAV) in the sequence ZIF-8 > ZIF-4 > ZIF-zni. The Li-B analogue of the dense ZIF-zni amorphizes more slowly than the corresponding zinc phase, with the behaviour showing a correlation with their relative bulk moduli and SAVs. The cadmium analogue of ZIF-8 (CdIF-1) amorphizes more rapidly than the zinc counterpart, which we ascribe primarily to its relatively weak M-N bonds as well as the higher SAV. The results for the ZIFs are compared to three classical zeolites - Na-X, Na-Y and ZSM-5 - with these taking up to four times longer to amorphize. The presence of adsorbed solvent in the pores is found to render both ZIF and zeolite frameworks more resistant to amorphization. X-ray total scattering measurements show that amorphous ZIF-zni is structurally indistinguishable from amorphous ZIF-4 with both structures retaining the same short-range order that is present in their crystalline precursors. By contrast, both X-ray total scattering measurements and (113)Cd NMR measurements point to changes in the local environment of amorphous CdIF-1 compared with its crystalline CdIF-1 precursor.

Infrared polarimetry of Mrk 231: scattering off hot dust grains in the central core

NASA Astrophysics Data System (ADS)

Lopez-Rodriguez, E.; Packham, C.; Jones, T. J.; Siebenmorgen, R.; Roche, P. F.; Levenson, N. A.; Alonso-Herrero, A.; Perlman, E.; Ichikawa, K.; Ramos Almeida, C.; González-Martín, O.; Nikutta, R.; Martinez-Paredez, M.; Shenoy, D.; Gordon, M. S.; Telesco, C. M.

2017-01-01

We present high-angular (0.17-0.35 arcsec) resolution imaging polarimetric observations of Mrk 231 in the 3.1 μm filter using MMT-Pol on the 6.5-m MMT, and in the 8.7, 10.3, and 11.6 μm filters using CanariCam on the 10.4-m Gran Telescopio CANARIAS. In combination with already published observations, we compile the 1-12 μm total and polarized nuclear spectral energy distribution (SED). The total flux SED in the central 400 pc is explained as the combination of (1) a hot (731 ± 4 K) dusty structure, directly irradiated by the central engine, which is at 1.6 ± 0.1 pc away and attributed to be in the pc-scale polar region, (2) an optically-thick, smooth and disc-like dusty structure (`torus') with an inclination of 48° ± 23° surrounding the central engine, and (3) an extinguished (AV = 36 ± 5 mag) starburst component. The polarized SED decreases from 0.77 ± 0.14 per cent at 1.2 μm to 0.31 ± 0.15 per cent at 11.6 μm and follows a power-law function, λ˜0.57. The polarization angle remains constant (˜108°) in the 1-12 μm wavelength range. The dominant polarization mechanism is explained as scattering-off hot dust grains in the pc-scale polar regions.

Quantitative and Isolated Measurement of Far-Field Light Scattering by a Single Nanostructure

NASA Astrophysics Data System (ADS)

Kim, Donghyeong; Jeong, Kwang-Yong; Kim, Jinhyung; Ee, Ho-Seok; Kang, Ju-Hyung; Park, Hong-Gyu; Seo, Min-Kyo

2017-11-01

Light scattering by nanostructures has facilitated research on various optical phenomena and applications by interfacing the near fields and free-propagating radiation. However, direct quantitative measurement of far-field scattering by a single nanostructure on the wavelength scale or less is highly challenging. Conventional back-focal-plane imaging covers only a limited solid angle determined by the numerical aperture of the objectives and suffers from optical aberration and distortion. Here, we present a quantitative measurement of the differential far-field scattering cross section of a single nanostructure over the full hemisphere. In goniometer-based far-field scanning with a high signal-to-noise ratio of approximately 27.4 dB, weak scattering signals are efficiently isolated and detected under total-internal-reflection illumination. Systematic measurements reveal that the total and differential scattering cross sections of a Au nanorod are determined by the plasmonic Fabry-Perot resonances and the phase-matching conditions to the free-propagating radiation, respectively. We believe that our angle-resolved far-field measurement scheme provides a way to investigate and evaluate the physical properties and performance of nano-optical materials and phenomena.

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

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

Van Benschoten, Andrew H.; Afonine, Pavel V.; Terwilliger, Thomas C.

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 andmore » 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.« less

Comparison between beamforming and super resolution imaging algorithms for non-destructive evaluation

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

Fan, Chengguang; Drinkwater, Bruce W.

In this paper the performance of total focusing method is compared with the widely used time-reversal MUSIC super resolution technique. The algorithms are tested with simulated and experimental ultrasonic array data, each containing different noise levels. The simulated time domain signals allow the effects of array geometry, frequency, scatterer location, scatterer size, scatterer separation and random noise to be carefully controlled. The performance of the imaging algorithms is evaluated in terms of resolution and sensitivity to random noise. It is shown that for the low noise situation, time-reversal MUSIC provides enhanced lateral resolution when compared to the total focusing method.more » However, for higher noise levels, the total focusing method shows robustness, whilst the performance of time-reversal MUSIC is significantly degraded.« less

Raman Scattering Study of the Soft Phonon Mode in the Hexagonal Ferroelectric Crystal KNiCl 3

NASA Astrophysics Data System (ADS)

Machida, Ken-ichi; Kato, Tetsuya; Chao, Peng; Iio, Katsunori

1997-10-01

Raman spectra of some phonon modes of the hexagonal ferroelectriccrystal KNiCl3are obtained in the temperature range between 290 K and 590 K, which includes the structural phase transition point T2(=561 K) at which previous measurements of dielectric constant and spontaneouspolarization as a function of temperature had shown that KNiCl3 undergoes a transition between polar phases II and III. An optical birefringence measurement carried outas a complement to the present Raman scattering revealed that this transition is of second order. Towards this transition point, the totally symmetric phonon mode with the lowest frequency observed in the room-temperature phasewas found to soften with increasing temperature.The present results provide new information on the phase-transitionmechanism and the space groups of thehigher (II)- and lower (III)-symmetric phases around T2.

2017 publication guidelines for structural modelling of small-angle scattering data from biomolecules in solution: an update

PubMed Central

Duff, Anthony P.; Durand, Dominique; Gabel, Frank; Hendrickson, Wayne A.; Hura, Greg L.; Jacques, David A.; Kirby, Nigel M.; Kwan, Ann H.; Pérez, Javier; Pollack, Lois; Ryan, Timothy M.; Sali, Andrej; Schneidman-Duhovny, Dina; Vachette, Patrice; Westbrook, John

2017-01-01

In 2012, preliminary guidelines were published addressing sample quality, data acquisition and reduction, presentation of scattering data and validation, and modelling for biomolecular small-angle scattering (SAS) experiments. Bio­molecular SAS has since continued to grow and authors have increasingly adopted the preliminary guidelines. In parallel, integrative/hybrid determination of biomolecular structures is a rapidly growing field that is expanding the scope of structural biology. For SAS to contribute maximally to this field, it is essential to ensure open access to the information required for evaluation of the quality of SAS samples and data, as well as the validity of SAS-based structural models. To this end, the preliminary guidelines for data presentation in a publication are reviewed and updated, and the deposition of data and associated models in a public archive is recommended. These guidelines and recommendations have been prepared in consultation with the members of the International Union of Crystallography (IUCr) Small-Angle Scattering and Journals Commissions, the Worldwide Protein Data Bank (wwPDB) Small-Angle Scattering Validation Task Force and additional experts in the field. PMID:28876235

Small Angle X-Ray Scattering from Lipid-Bound Myelin Basic Protein in Solution

PubMed Central

Haas, H.; Oliveira, C. L. P.; Torriani, I. L.; Polverini, E.; Fasano, A.; Carlone, G.; Cavatorta, P.; Riccio, P.

2004-01-01

The structure of myelin basic protein (MBP), purified from the myelin sheath in both lipid-free (LF-MBP) and lipid-bound (LB-MBP) forms, was investigated in solution by small angle x-ray scattering. The water-soluble LF-MBP, extracted at pH < 3.0 from defatted brain, is the classical preparation of MBP, commonly regarded as an intrinsically unfolded protein. LB-MBP is a lipoprotein-detergent complex extracted from myelin with its native lipidic environment at pH > 7.0. Under all conditions, the scattering from the two protein forms was different, indicating different molecular shapes. For the LB-MBP, well-defined scattering curves were obtained, suggesting that the protein had a unique, compact (but not globular) structure. Furthermore, these data were compatible with earlier results from molecular modeling calculations on the MBP structure which have been refined by us. In contrast, the LF-MBP data were in accordance with the expected open-coil conformation. The results represent the first direct structural information from x-ray scattering measurements on MBP in its native lipidic environment in solution. PMID:14695288

The generalized scattering coefficient method for plane wave scattering in layered structures

NASA Astrophysics Data System (ADS)

Liu, Yu; Li, Chao; Wang, Huai-Yu; Zhou, Yun-Song

2017-02-01

The generalized scattering coefficient (GSC) method is pedagogically derived and employed to study the scattering of plane waves in homogeneous and inhomogeneous layered structures. The numerical stabilities and accuracies of this method and other commonly used numerical methods are discussed and compared. For homogeneous layered structures, concise scattering formulas with clear physical interpretations and strong numerical stability are obtained by introducing the GSCs. For inhomogeneous layered structures, three numerical methods are employed: the staircase approximation method, the power series expansion method, and the differential equation based on the GSCs. We investigate the accuracies and convergence behaviors of these methods by comparing their predictions to the exact results. The conclusions are as follows. The staircase approximation method has a slow convergence in spite of its simple and intuitive implementation, and a fine stratification within the inhomogeneous layer is required for obtaining accurate results. The expansion method results are sensitive to the expansion order, and the treatment becomes very complicated for relatively complex configurations, which restricts its applicability. By contrast, the GSC-based differential equation possesses a simple implementation while providing fast and accurate results.

Structural dynamics of surfaces by ultrafast electron crystallography: experimental and multiple scattering theory.

PubMed

Schäfer, Sascha; Liang, Wenxi; Zewail, Ahmed H

2011-12-07

Recent studies in ultrafast electron crystallography (UEC) using a reflection diffraction geometry have enabled the investigation of a wide range of phenomena on the femtosecond and picosecond time scales. In all these studies, the analysis of the diffraction patterns and their temporal change after excitation was performed within the kinematical scattering theory. In this contribution, we address the question, to what extent dynamical scattering effects have to be included in order to obtain quantitative information about structural dynamics. We discuss different scattering regimes and provide diffraction maps that describe all essential features of scatterings and observables. The effects are quantified by dynamical scattering simulations and examined by direct comparison to the results of ultrafast electron diffraction experiments on an in situ prepared Ni(100) surface, for which structural dynamics can be well described by a two-temperature model. We also report calculations for graphite surfaces. The theoretical framework provided here allows for further UEC studies of surfaces especially at larger penetration depths and for those of heavy-atom materials. © 2011 American Institute of Physics

Determination of scattering structures from spatial coherence measurements.

PubMed

Zarubin, A M

1996-03-01

A new method of structure determination and microscopic imaging with short-wavelength radiations (charged particles, X-rays, neutrons), based on measurements of the modulus and the phase of the degree of spatial coherence of the scattered radiation, is developed. The underlying principle of the method--transfer of structural information about the scattering potential via spatial coherence of the secondary (scattering) source of radiation formed by this potential--is expressed by the generalization of the van Cittert-Zernike theorem to wave and particle scattering [A.M. Zarubin, Opt. Commun. 100 (1993) 491; Opt. Commun. 102 (1993) 543]. Shearing interferometric techniques are proposed for implementing the above measurements; the limits of spatial resolution attainable by reconstruction of the absolute square of a 3D scattering potential and its 2D projections from the measurements are analyzed. It is shown theoretically that 3D imaging with atomic resolution can be realized in a "synthetic aperture" electron or ion microscope and that a 3D resolution of about 6 nm can be obtained with a "synthetic aperture" X-ray microscope. A proof-of-principle optical experiment is presented.

Depolarization and Scattering of Electromagnetic Waves. Appendices.

DTIC Science & Technology

1986-06-30

for both specular point scattering and Bragg scattering in a self-consistent manner is used to express the total cross section of the flake as a...by Arbitrarily Oriented Composite Rough Surfaces. In this work the full wave approach is used to determine the modu- lations of the like and cross...analyze multiple scattering using the equation of radiative transfer with the general Stokes’ parameters. Our ultimate goal is to develop codes which will

Measurement of the proton structure function F2 and σγ*ptot at low Q2 and very low x at HERA

NASA Astrophysics Data System (ADS)

Breitweg, J.; Derrick, M.; Krakauer, D.; Magill, S.; Mikunas, D.; Musgrave, B.; Repond, J.; Stanek, R.; Talaga, R. L.; Yoshida, R.; Zhang, H.; Mattingly, M. C. K.; Anselmo, F.; Antonioli, P.; Bari, G.; Basile, M.; Bellagamba, L.; Boscherini, D.; Bruni, A.; Bruni, G.; Romeo, G. Cara; Castellini, G.; Cifarelli, L.; Cindolo, F.; Contin, A.; Corradi, M.; de Pasquale, S.; Gialas, I.; Giusti, P.; Iacobucci, G.; Laurenti, G.; Levi, G.; Margotti, A.; Massam, T.; Nania, R.; Palmonari, F.; Pesci, A.; Polini, A.; Ricci, F.; Sartorelli, G.; Garcia, Y. Zamora; Zichichi, A.; Amelung, C.; Bornheim, A.; Brock, I.; Coböken, K.; Crittenden, J.; Deffner, R.; Eckert, M.; Grothe, M.; Hartmann, H.; Heinloth, K.; Heinz, L.; Hilger, E.; Jakob, H.-P.; Katz, U. F.; Kerger, R.; Paul, E.; Pfeiffer, M.; Rembser, Ch.; Stamm, J.; Wedemeyer, R.; Wieber, H.; Bailey, D. S.; Campbell-Robson, S.; Cottingham, W. N.; Foster, B.; Hall-Wilton, R.; Hayes, M. E.; Heath, G. P.; Heath, H. F.; Piccioni, D.; Roff, D. G.; Tapper, R. J.; Arneodo, M.; Ayad, R.; Capua, M.; Garfagnini, A.; Iannotti, L.; Schioppa, M.; Susinno, G.; Kim, J. Y.; Lee, J. H.; Lim, I. T.; Pac, M. Y.; Caldwell, A.; Cartiglia, N.; Jing, Z.; Liu, W.; Mellado, B.; Parsons, J. A.; Ritz, S.; Sampson, S.; Sciulli, F.; Straub, P. B.; Zhu, Q.; Borzemski, P.; Chwastowski, J.; Eskreys, A.; Jakubowski, Z.; Przybycień, M. B.; Zachara, M.; Zawiejski, L.; Adamczyk, L.; Bednarek, B.; Jeleń, J.; Kisielewska, D.; Kowalski, T.; Przybycień, M.; Rulikowska-Zarȩbska, E.; Suszycki, L.; Zajac, J.; Duliński, Z.; Kotański, A.; Abbiendi, G.; Bauerdick, L. A. T.; Behrens, U.; Beier, H.; Bienlein, J. K.; Cases, G.; Deppe, O.; Desler, K.; Drews, G.; Fricke, U.; Gilkinson, D. J.; Glasman, C.; Göttlicher, P.; Große-Knetter, J.; Haas, T.; Hain, W.; Hasell, D.; Johnson, K. F.; Kasemann, M.; Koch, W.; Kötz, U.; Kowalski, H.; Labs, J.; Lindemann, L.; Löhr, B.; Löwe, M.; Mańczak, O.; Milewski, J.; Monteiro, T.; Ng, J. S. T.; Notz, D.; Ohrenberg, K.; Park, I. H.; Pellegrino, A.; Pelucchi, F.; Piotrzkowski, K.; Roco, M.; Rohde, M.; Roldán, J.; Ryan, J. J.; Savin, A. A.; Schneekloth, U.; Selonke, F.; Surrow, B.; Tassi, E.; Voß, T.; Westphal, D.; Wolf, G.; Wollmer, U.; Youngman, C.; Żarnecki, A. F.; Zeuner, W.; Burow, B. D.; Grabosch, H. J.; Meyer, A.; Schlenstedt, S.; Barbagli, G.; Gallo, E.; Pelfer, P.; Maccarrone, G.; Votano, L.; Bamberger, A.; Eisenhardt, S.; Markun, P.; Trefzger, T.; Wölfle, S.; Bromley, J. T.; Brook, N. H.; Bussey, P. J.; Doyle, A. T.; Saxon, D. H.; Sinclair, L. E.; Strickland, E.; Utley, M. L.; Waugh, R.; Wilson, A. S.; Bohnet, I.; Gendner, N.; Holm, U.; Meyer-Larsen, A.; Salehi, H.; Wick, K.; Gladilin, L. K.; Horstmann, D.; Kçira, D.; Klanner, R.; Lohrmann, E.; Poelz, G.; Schott, W.; Zetsche, F.; Bacon, T. C.; Butterworth, I.; Cole, J. E.; Harris, V. L.; Howell, G.; Hung, B. H. Y.; Lamberti, L.; Long, K. R.; Miller, D. B.; Pavel, N.; Prinias, A.; Sedgbeer, J. K.; Sideris, D.; Whitfield, A. F.; Mallik, U.; Wang, S. M.; Wu, J. T.; Cloth, P.; Filges, D.; Fleck, J. I.; Ishii, T.; Kuze, M.; Nakao, M.; Tokushuku, K.; Yamada, S.; Yamazaki, Y.; An, S. H.; Lee, S. B.; Nam, S. W.; Park, H. S.; Park, S. K.; Barreiro, F.; Fernández, J. P.; García, G.; Graciani, R.; Hernández, J. M.; Hervás, L.; Labarga, L.; Martínez, M.; del Peso, J.; Puga, J.; Terrón, J.; de Trocóniz, J. F.; Corriveau, F.; Hanna, D. S.; Hartmann, J.; Hung, L. W.; Lim, J. N.; Murray, W. N.; Ochs, A.; Riveline, M.; Stairs, D. G.; St-Laurent, M.; Ullmann, R.; Tsurugai, T.; Bashkirov, V.; Dolgoshein, B. A.; Stifutkin, A.; Bashindzhagyan, G. L.; Ermolov, P. F.; Golubkov, Yu. A.; Khein, L. A.; Korotkova, N. A.; Korzhavina, I. A.; Kuzmin, V. A.; Lukina, O. Yu.; Proskuryakov, A. S.; Shcheglova, L. M.; Solomin, A. N.; Zotkin, S. A.; Bokel, C.; Botje, M.; Brümmer, N.; Chlebana, F.; Engelen, J.; Kooijman, P.; van Sighem, A.; Tiecke, H.; Tuning, N.; Verkerke, W.; Vossebeld, J.; Vreeswijk, M.; Wiggers, L.; de Wolf, E.; Acosta, D.; Bylsma, B.; Durkin, L. S.; Gilmore, J.; Ginsburg, C. M.; Kim, C. L.; Ling, T. Y.; Nylander, P.; Romanowski, T. A.; Blaikley, H. E.; Cashmore, R. J.; Cooper-Sarkar, A. M.; Devenish, R. C. E.; Edmonds, J. K.; Harnew, N.; Lancaster, M.; McFall, J. D.; Nath, C.; Noyes, V. A.; Quadt, A.; Ruske, O.; Tickner, J. R.; Uijterwaal, H.; Walczak, R.; Waters, D. S.; Bertolin, A.; Brugnera, R.; Carlin, R.; dal Corso, F.; Dosselli, U.; Limentani, S.; Morandin, M.; Posocco, M.; Stanco, L.; Stroili, R.; Voci, C.; Bulmahn, J.; Feild, R. G.; Oh, B. Y.; Okrasiński, J. R.; Whitmore, J. J.; Iga, Y.; D'Agostini, G.; Marini, G.; Nigro, A.; Raso, M.; Hart, J. C.; McCubbin, N. A.; Shah, T. P.; Epperson, D.; Heusch, C.; Rahn, J. T.; Sadrozinski, H. F.-W.; Seiden, A.; Williams, D. C.; Schwarzer, O.; Walenta, A. H.; Abramowicz, H.; Briskin, G.; Dagan, S.; Doeker, T.; Kananov, S.; Levy, A.; Abe, T.; Fusayasu, T.; Inuzuka, M.; Nagano, K.; Suzuki, I.; Umemori, K.; Yamashita, T.; Hamatsu, R.; Hirose, T.; Homma, K.; Kitamura, S.; Matsushita, T.; Yamauchi, K.; Cirio, R.; Costa, M.; Ferrero, M. I.; Maselli, S.; Monaco, V.; Peroni, C.; Petrucci, M. C.; Sacchi, R.; Solano, A.; Staiano, A.; Dardo, M.; Bailey, D. C.; Brkic, M.; Fagerstroem, C.-P.; Hartner, G. F.; Joo, K. K.; Levman, G. M.; Martin, J. F.; Orr, R. S.; Polenz, S.; Sampson, C. R.; Simmons, D.; Teuscher, R. J.; Butterworth, J. M.; Catterall, C. D.; Jones, T. W.; Kaziewicz, P. B.; Lane, J. B.; Saunders, R. L.; Shulman, J.; Sutton, M. R.; Lu, B.; Mo, L. W.; Ciborowski, J.; Grzelak, G.; Kasprzak, M.; Muchorowski, K.; Nowak, R. J.; Pawlak, J. M.; Pawlak, R.; Tymieniecka, T.; Wróblewski, A. K.; Zakrzewski, J. A.; Adamus, M.; Coldewey, C.; Eisenberg, Y.; Hochman, D.; Karshon, U.; Revel, D.; Badgett, W. F.; Chapin, D.; Cross, R.; Dasu, S.; Foudas, C.; Loveless, R. J.; Mattingly, S.; Reeder, D. D.; Smith, W. H.; Vaiciulis, A.; Wodarczyk, M.; Bhadra, S.; Frisken, W. R.; Khakzad, M.; Schmidke, W. B.

1997-02-01

A small electromagnetic sampling calorimeter, installed in the ZEUS experiment in 1995, significantly enhanced the acceptance for very low x and low Q2 inelastic neutral current scattering, e+p -> e+X, at HERA. A measurement of the proton structure function F2 and the total virtual photon-proton (γ*p) cross-section is presented for 0.11 <= Q2 <= 0.65 GeV2 and 2 × 10-6 <= x <= 6 × 10-5, corresponding to a range in the γ*p c.m. energy of 100 <= W <= 230 GeV. Comparisons with various models are also presented.

The structure and appearance of winds from supercritical accretion disks. II - Dynamical theory of supercritical winds

NASA Technical Reports Server (NTRS)

Meier, D. L.

1982-01-01

A general analytic theory is presented of winds driven by super-Eddington luminosities. The relevant parameters are the mass of the central object, the radius at which the luminosity and matter are injected, the ratio of the free-fall time to the heating time at this radius, and the total luminosity injected at the radius. Several different regimes of dynamical wind structure are identified, and the analytic expressions are shown to agree with the numerical results in Meier (1979) in the appropriate case. It is noted that, in its general form, the theory is the optically thick (to electron scattering) counterpart to optically thin radiation pressure-driven stellar winds.

Neutron Transmission of Single-crystal Sapphire Filters

NASA Astrophysics Data System (ADS)

Adib, M.; Kilany, M.; Habib, N.; Fathallah, M.

2005-05-01

An additive formula is given that permits the calculation of the nuclear capture, thermal diffuse and Bragg scattering cross-sections as a function of sapphire temperature and crystal parameters. We have developed a computer program that allows calculations of the thermal neutron transmission for the sapphire rhombohedral structure and its equivalent trigonal structure. The calculated total cross-section values and effective attenuation coefficient for single-crystalline sapphire at different temperatures are compared with measured values. Overall agreement is indicated between the formula and experimental data. We discuss the use of sapphire single crystal as a thermal neutron filter in terms of the optimum cystal thickness, mosaic spread, temperature, cutting plane and tuning for efficient transmission of thermal-reactor neutrons.

Effects of macromolecular crowding on the structure of a protein complex: A small-angle scattering study of superoxide dismutase

DOE PAGES

Rajapaksha, Ajith; Stanley, Christopher B.; Todd, Brian A.

2015-02-17

Macromolecular crowding can alter the structure and function of biological macromolecules. We used small angle scattering (SAS) to measure the change in size of a protein complex, superoxide dismutase (SOD), induced by macromolecular crowding. Crowding was induced using 400 MW polyethylene glycol (PEG), triethylene glycol (TEG), methyl- -glucoside ( -MG) and trimethylamine N-oxide (TMAO). Parallel small angle neutron scattering (SANS) and small angle x-ray scattering (SAXS) allowed us to unambiguously attribute apparent changes in radius of gyration to changes in the structure of SOD. For a 40% PEG solution, we find that the volume of SOD was reduced by 9%.more » Considering the osmotic pressure due to PEG, this deformation corresponds to a highly compressible structure. SAXS done in the presence of TEG suggests that for further deformation beyond a 9% decrease in volume the resistance to deformation may increase dramatically.« less

Low-energy and very-low energy total cross sections for electron collisions with N2

NASA Astrophysics Data System (ADS)

Kitajima, Masashi; Kishino, Takaya; Okumura, Takuma; Kobayashi, Naomasa; Sayama, Atsushi; Mori, Yuma; Hosaka, Kouichi; Odagiri, Takeshi; Hoshino, Masamitsu; Tanaka, Hiroshi

2017-06-01

Absolute grand total cross sections for electron scattering from N2 are obtained in the energy range from 20 eV down to 5 meV with very narrow electron energy width of 9 meV using the threshold-photoelectron source. Total cross sections obtained in the present study are compared with the previous experimentally obtained results. At the very-low energy region below 50 meV, the present total cross sections are somewhat smaller than those reported by the Aarhus group [S.V. Hoffmann et al., Rev. Sci. Instrum. 73, 4157 (2002)], which has been the only experimental work that provided the total cross sections in the very-low energy region. The energy positions of the peaks in the total cross sections due to the 2Πg shape resonance are obtained with higher accuracy, due to the improved uncertainty of the energy position in the present measurement compared to the previous works. The resonance structure in the total cross sections due to the Feshbach resonances of N2 at around 11.5 eV are also observed. Analysis of the resonant structure was carried out in order to determine the values of resonance width of Feshbach resonances of N2. Contribution to the Topical Issue: "Atomic and Molecular Data and their Applications", edited by Gordon W.F. Drake, Jung-Sik Yoon, Daiji Kato, Grzegorz Karwasz.

Small Angle X-ray Scattering for Nanoparticle Research

DOE PAGES

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

2016-04-07

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

Small Angle X-ray Scattering for Nanoparticle Research

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

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

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

Convergent close-coupling approach to positron scattering on He+★

NASA Astrophysics Data System (ADS)

Rawlins, Charlie M.; Kadyrov, Alisher S.; Bray, Igor

2018-05-01

A close-coupling method is used to generate electron-loss and total scattering cross sections for the first three partial waves with both a single-centre and two-centre expansion of the scattering wave function for positron scattering on He +. The two expansions are consistent with each other above the ionisation threshold verifying newly-developed positronium-formation matrix elements. Below the positronium-formation threshold both the single- and two-centre results agree with the elastic-scattering cross sections generated from the phase shifts reported in previous calculations.

Two-component scattering model and the electron density spectrum

NASA Astrophysics Data System (ADS)

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

2010-02-01

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

Cations Modulate Actin Bundle Mechanics, Assembly Dynamics, and Structure.

PubMed

Castaneda, Nicholas; Zheng, Tianyu; Rivera-Jacquez, Hector J; Lee, Hyun-Ju; Hyun, Jaekyung; Balaeff, Alexander; Huo, Qun; Kang, Hyeran

2018-04-12

Actin bundles are key factors in the mechanical support and dynamic reorganization of the cytoskeleton. High concentrations of multivalent counterions promote bundle formation through electrostatic attraction between actin filaments that are negatively charged polyelectrolytes. In this study, we evaluate how physiologically relevant divalent cations affect the mechanical, dynamic, and structural properties of actin bundles. Using a combination of total internal reflection fluorescence microscopy, transmission electron microscopy, and dynamic light scattering, we demonstrate that divalent cations modulate bundle stiffness, length distribution, and lateral growth. Molecular dynamics simulations of an all-atom model of the actin bundle reveal specific actin residues coordinate cation-binding sites that promote the bundle formation. Our work suggests that specific cation interactions may play a fundamental role in the assembly, structure, and mechanical properties of actin bundles.

Bright-White Beetle Scales Optimise Multiple Scattering of Light

NASA Astrophysics Data System (ADS)

Burresi, Matteo; Cortese, Lorenzo; Pattelli, Lorenzo; Kolle, Mathias; Vukusic, Peter; Wiersma, Diederik S.; Steiner, Ullrich; Vignolini, Silvia

2014-08-01

Whiteness arises from diffuse and broadband reflection of light typically achieved through optical scattering in randomly structured media. In contrast to structural colour due to coherent scattering, white appearance generally requires a relatively thick system comprising randomly positioned high refractive-index scattering centres. Here, we show that the exceptionally bright white appearance of Cyphochilus and Lepidiota stigma beetles arises from a remarkably optimised anisotropy of intra-scale chitin networks, which act as a dense scattering media. Using time-resolved measurements, we show that light propagating in the scales of the beetles undergoes pronounced multiple scattering that is associated with the lowest transport mean free path reported to date for low-refractive-index systems. Our light transport investigation unveil high level of optimisation that achieves high-brightness white in a thin low-mass-per-unit-area anisotropic disordered nanostructure.

Resonant soft X-ray scattering for polymer materials

DOE PAGES

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

2016-04-16

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

Clinical skin imaging using color spatial frequency domain imaging (Conference Presentation)

NASA Astrophysics Data System (ADS)

Yang, Bin; Lesicko, John; Moy, Austin J.; Reichenberg, Jason; Tunnell, James W.

2016-02-01

Skin diseases are typically associated with underlying biochemical and structural changes compared with normal tissues, which alter the optical properties of the skin lesions, such as tissue absorption and scattering. Although widely used in dermatology clinics, conventional dermatoscopes don't have the ability to selectively image tissue absorption and scattering, which may limit its diagnostic power. Here we report a novel clinical skin imaging technique called color spatial frequency domain imaging (cSFDI) which enhances contrast by rendering color spatial frequency domain (SFD) image at high spatial frequency. Moreover, by tuning spatial frequency, we can obtain both absorption weighted and scattering weighted images. We developed a handheld imaging system specifically for clinical skin imaging. The flexible configuration of the system allows for better access to skin lesions in hard-to-reach regions. A total of 48 lesions from 31 patients were imaged under 470nm, 530nm and 655nm illumination at a spatial frequency of 0.6mm^(-1). The SFD reflectance images at 470nm, 530nm and 655nm were assigned to blue (B), green (G) and red (R) channels to render a color SFD image. Our results indicated that color SFD images at f=0.6mm-1 revealed properties that were not seen in standard color images. Structural features were enhanced and absorption features were reduced, which helped to identify the sources of the contrast. This imaging technique provides additional insights into skin lesions and may better assist clinical diagnosis.

Spin-dependent electron scattering at graphene edges on Ni(111).

PubMed

Garcia-Lekue, A; Balashov, T; Olle, M; Ceballos, G; Arnau, A; Gambardella, P; Sanchez-Portal, D; Mugarza, A

2014-02-14

We investigate the scattering of surface electrons by the edges of graphene islands grown on Ni(111). By combining local tunneling spectroscopy and ab initio electronic structure calculations we find that the hybridization between graphene and Ni states results in strongly reflecting graphene edges. Quantum interference patterns formed around the islands reveal a spin-dependent scattering of the Shockley bands of Ni, which we attribute to their distinct coupling to bulk states. Moreover, we find a strong dependence of the scattering amplitude on the atomic structure of the edges, depending on the orbital character and energy of the surface states.

Scattering rings in optically anisotropic porous silicon

NASA Astrophysics Data System (ADS)

Oton, C. J.; Gaburro, Z.; Ghulinyan, M.; Pancheri, L.; Bettotti, P.; Negro, L. Dal; Pavesi, L.

2002-12-01

We report the observation of strongly anisotropic scattering of laser light at oblique incidence on a (100)-oriented porous silicon layer. The scattered light forms cones tangent to the incident and reflected beams. The conical pattern is caused by scattering on the vertical walls of pores, which are straight along the layer thickness. The light cone defines structured light rings onto a screen normal to the cone axis. We explain the various structures by optical anisotropy of porous silicon. For the sample under analysis, we directly measure from the ring patterns a value of Δn/nord=8% of positive birefringence.

Polarization simulations of stellar wind bow-shock nebulae - I. The case of electron scattering

NASA Astrophysics Data System (ADS)

Shrestha, Manisha; Neilson, Hilding R.; Hoffman, Jennifer L.; Ignace, Richard

2018-06-01

Bow shocks and related density enhancements produced by the winds of massive stars moving through the interstellar medium provide important information regarding the motions of the stars, the properties of their stellar winds, and the characteristics of the local medium. Since bow-shock nebulae are aspherical structures, light scattering within them produces a net polarization signal even if the region is spatially unresolved. Scattering opacity arising from free electrons and dust leads to a distribution of polarized intensity across the bow-shock structure. That polarization encodes information about the shape, composition, opacity, density, and ionization state of the material within the structure. In this paper, we use the Monte Carlo radiative transfer code SLIP to investigate the polarization created when photons scatter in a bow-shock-shaped region of enhanced density surrounding a stellar source. We present results for electron scattering, and investigate the polarization behaviour as a function of optical depth, temperature, and source of photons for two different cases: pure scattering and scattering with absorption. In both regimes, we consider resolved and unresolved cases. We discuss the implications of these results as well as their possible use along with observational data to constrain the properties of observed bow-shock systems. In different situations and under certain assumptions, our simulations can constrain viewing angle, optical depth and temperature of the scattering region, and the relative luminosities of the star and shock.

Tunable multiband directional electromagnetic scattering from spoof Mie resonant structure.

PubMed

Wu, Hong-Wei; Chen, Hua-Jun; Xu, Hua-Feng; Fan, Ren-Hao; Li, Yang

2018-06-11

We demonstrate that directional electromagnetic scattering can be realized in an artificial Mie resonant structure that supports electric and magnetic dipole modes simultaneously. The directivity of the far-field radiation pattern can be switched by changing wavelength of the incident light as well as tailoring the geometric parameters of the structure. In addition, we further design a quasiperiodic spoof Mie resonant structure by alternately inserting two materials into the slits. The results show that multi-band directional light scattering is realized by exciting multiple electric and magnetic dipole modes with different frequencies in the quasiperiodic structure. The presented design concept is suitable for microwave to terahertz region and can be applied to various advanced optical devices, such as antenna, metamaterial and metasurface.

Structural convergence properties of amorphous InGaZnO4 from simulated liquid-quench methods.

PubMed

Buchanan, Jacob C; Fast, Dylan B; Hanken, Benjamin E; Mustard, Thomas J L; Laurita, Geneva; Chiang, Tsung-Han; Keszler, Douglas A; Subramanian, Mas A; Wager, John F; Dolgos, Michelle R; Rustad, James R; Cheong, Paul Ha-Yeon

2017-11-14

The study of structural properties of amorphous structures is complicated by the lack of long-range order and necessitates the use of both cutting-edge computer modeling and experimental techniques. With regards to the computer modeling, many questions on convergence arise when trying to assess the accuracy of a simulated system. What cell size maximizes the accuracy while remaining computationally efficient? More importantly, does averaging multiple smaller cells adequately describe features found in bulk amorphous materials? How small is too small? The aims of this work are: (1) to report a newly developed set of pair potentials for InGaZnO 4 and (2) to explore the effects of structural parameters such as simulation cell size and numbers on the structural convergence of amorphous InGaZnO 4 . The total number of formula units considered over all runs is found to be the critical factor in convergence as long as the cell considered contains a minimum of circa fifteen formula units. There is qualitative agreement between these simulations and X-ray total scattering data - peak trends and locations are consistently reproduced while intensities are weaker. These new IGZO pair potentials are a valuable starting point for future structural refinement efforts.

Complex Correlation Kohn-T Method of Calculating Total and Elastic Cross Sections. Part 1; Electron-Hydrogen Elastic Scattering

NASA Technical Reports Server (NTRS)

Bhatia, A. K.; Temkin, A.; Fisher, Richard R. (Technical Monitor)

2001-01-01

We report on the first part of a study of electron-hydrogen scattering, using a method which allows for the ab initio calculation of total and elastic cross sections at higher energies. In its general form the method uses complex 'radial' correlation functions, in a (Kohn) T-matrix formalism. The titled method, abbreviated Complex Correlation Kohn T (CCKT) method, is reviewed, in the context of electron-hydrogen scattering, including the derivation of the equation for the (complex) scattering function, and the extraction of the scattering information from the latter. The calculation reported here is restricted to S-waves in the elastic region, where the correlation functions can be taken, without loss of generality, to be real. Phase shifts are calculated using Hylleraas-type correlation functions with up to 95 terms. Results are rigorous lower bounds; they are in general agreement with those of Schwartz, but they are more accurate and outside his error bounds at a couple of energies,

Adiabatic-nuclei calculations of positron scattering from molecular hydrogen

DOE PAGES

Zammit, Mark Christian; Fursa, Dmitry V.; Savage, Jeremy S.; ...

2017-02-06

The single-center adiabatic-nuclei convergent close-coupling method is used to investigate positron collisions with molecular hydrogen (H 2) in the ground and first vibrationally excited states. Cross sections are presented over the energy range from 1 to 1000 eV for elastic scattering, vibrational excitation, total ionization, and the grand total cross section. The present adiabatic-nuclei positron- H 2 scattering length is calculated as A = $-$ 2.70 a 0 for the ground state and A = $-$ 3.16 a 0 for the first vibrationally excited state. The present elastic differential cross sections are also used to “correct” the low-energy grand totalmore » cross-section measurements of the Trento group [A. Zecca et al., Phys. Rev. A 80, 032702 (2009)] for the forward-angle-scattering effect. In general, the comparison with experiment is good. In conclusion, by performing convergence studies, we estimate that our R m = 1.448 a 0 fixed-nuclei results are converged to within ± 5 % for the major scattering integrated cross sections.« less

A novel scatter separation method for multi-energy x-ray imaging

NASA Astrophysics Data System (ADS)

Sossin, A.; Rebuffel, V.; Tabary, J.; Létang, J. M.; Freud, N.; Verger, L.

2016-06-01

X-ray imaging coupled with recently emerged energy-resolved photon counting detectors provides the ability to differentiate material components and to estimate their respective thicknesses. However, such techniques require highly accurate images. The presence of scattered radiation leads to a loss of spatial contrast and, more importantly, a bias in radiographic material imaging and artefacts in computed tomography (CT). The aim of the present study was to introduce and evaluate a partial attenuation spectral scatter separation approach (PASSSA) adapted for multi-energy imaging. This evaluation was carried out with the aid of numerical simulations provided by an internal simulation tool, Sindbad-SFFD. A simplified numerical thorax phantom placed in a CT geometry was used. The attenuation images and CT slices obtained from corrected data showed a remarkable increase in local contrast and internal structure detectability when compared to uncorrected images. Scatter induced bias was also substantially decreased. In terms of quantitative performance, the developed approach proved to be quite accurate as well. The average normalized root-mean-square error between the uncorrected projections and the reference primary projections was around 23%. The application of PASSSA reduced this error to around 5%. Finally, in terms of voxel value accuracy, an increase by a factor  >10 was observed for most inspected volumes-of-interest, when comparing the corrected and uncorrected total volumes.

Measurements of Positronium Formation Cross Sections for Positron-Kr, Xe Scattering

NASA Astrophysics Data System (ADS)

Kauppila, W. E.; Kwan, C. K.; Li, H.; Stein, T. S.; Zhou, S.

1997-04-01

Our experimental approach(S. Zhou et al., Phys. Rev. Lett. 73, 236 (1994).) for measuring Ps formation cross sections (Q_Ps) involves passing a variable energy positron beam through a gas scattering cell and detecting the 511 keV annihilation gamma rays resulting from the decay of para-Ps and from the interaction of ortho-Ps with the walls of the scattering cell. It is found that the Q_Ps curves for both Kr and Xe rise rapidly from their formation threshold energies of 7.2 and 5.3 eV, reach maxima within about 10 eV of their thresholds and then decrease to become rather small (less than 10% of the peak heights) above 100 eV. At the maxima Q_Ps accounts for more than 50% of the total scattering cross sections. There is some evidence of possible small scale structure in the Q_Ps curves between 10 and 100 eV. The present results are consistent with the prior measurements of Diana et al.( L.M. Diana et al., in "Atomic Physics with Positrons", edited by J.W. Humberston and E.A.G. Armour (Plenum, New York and London, 1987), p. 55; and in "Positron Annihilation", edited by L. Dorikens-Vanpraet et al. (World Scientific, Singapore, 1989), p. 311.) from near threshold to 70 eV for Kr and from 15 to 100 eV for Xe.

Single-coil properties and concentration effects for polyelectrolyte-like wormlike micelles: a Monte Carlo study

NASA Astrophysics Data System (ADS)

Cannavacciuolo, Luigi; Skov Pedersen, Jan; Schurtenberger, Peter

2002-03-01

Results of an extensive Monte Carlo (MC) study on both single and many semiflexible charged chains with excluded volume (EV) are summarized. The model employed has been tailored to mimic wormlike micelles in solution. Simulations have been performed at different ionic strengths of added salt, charge densities, chain lengths and volume fractions Φ, covering the dilute to concentrated regime. At infinite dilution the scattering functions can be fitted by the same fitting functions as for uncharged semiflexible chains with EV, provided that an electrostatic contribution bel is added to the bare Kuhn length. The scaling of bel is found to be more complex than the Odijk-Skolnick-Fixman predictions, and qualitatively compatible with more recent variational calculations. Universality in the scaling of the radius of gyration is found if all lengths are rescaled by the total Kuhn length. At finite concentrations, the simple model used is able to reproduce the structural peak in the scattering function S(q) observed in many experiments, as well as other properties of polyelectrolytes (PELs) in solution. Universal behaviour of the forward scattering S(0) is established after a rescaling of Φ. MC data are found to be in very good agreement with experimental scattering measurements with equilibrium PELs, which are giant wormlike micelles formed in mixtures of nonionic and ionic surfactants in dilute aqueous solution, with added salt.

Structural Color Model Based on Surface Morphology of MORPHO Butterfly Wing Scale

NASA Astrophysics Data System (ADS)

Huang, Zhongjia; Cai, Congcong; Wang, Gang; Zhang, Hui; Huttula, Marko; Cao, Wei

2016-05-01

Color production through structural coloration is created by micrometer and sub-micrometer surface textures which interfere with visible light. The shiny blue of morpho menelaus is a typical example of structural coloring. Modified from morphology of the morpho scale, a structure of regular windows with two side offsets was constructed on glass substrates. Optical properties of the bioinspired structure were studied through numerical simulations of light scattering. Results show that the structure can generate monochromatic light scattering. Wavelength of scattered light is tunable via changing the spacing between window shelves. Compared to original butterfly model, the modified one possesses larger illumination scopes in azimuthal distributions despite being less in polar directions. Present bionic structure is periodically repeated and is easy to fabricate. It is hoped that the computational materials design work can inspire future experimental realizations of such a structure in photonics applications.

PREFACE: The first 21 years of reverse Monte Carlo modelling—a workshop held in Budapest, Hungary (1-3 October 2009) The first 21 years of reverse Monte Carlo modelling—a workshop held in Budapest, Hungary (1-3 October 2009)

NASA Astrophysics Data System (ADS)

Keen, David A.; Pusztai, László

2010-10-01

This special issue contains a collection of papers reflecting the content of the fourth workshop on reverse Monte Carlo (RMC) methods, held in a hotel on hills overlooking Budapest at the start of October 2009. At this meeting around sixty participants gathered to hear talks and discuss a broad range of science based on the RMC technique in very convivial surroundings. Reverse Monte Carlo modelling is a method for producing three-dimensional disordered structural models in quantitative agreement with experimental data. The method was developed in the late 1980s and has since achieved wide acceptance within the scientific community [1], producing on average over seventy papers and 1000 citations per year in the last five years. It is particularly suitable for studies of the structures of liquid and amorphous materials, as well as the structural analysis of disordered crystalline systems. The principal experimental data that are modelled are obtained from total x-ray or neutron scattering experiments, using the reciprocal space structure factor and/or the real space pair distribution function (PDF). Additional data might be included from extended x-ray absorption fine structure (EXAFS) spectroscopy, Bragg peak intensities or indeed any measured data that can be calculated from a three-dimensional atomistic model. It is this use of total scattering (diffuse and Bragg), rather than just the Bragg peak intensities more commonly used for crystalline structure analysis, which enables RMC modelling to probe the often important deviations from the average crystal structure, to probe the structures of poorly crystalline materials, and the local structures of non-crystalline materials where only diffuse scattering is observed. This flexibility across various condensed matter structure-types has made the RMC method very attractive in a wide range of disciplines, as borne out in the contents of this special issue. It is, however, important to point out that since the method is akin to a structural refinement method (albeit with some inbuilt Monte Carlo 'randomness') high-quality data are needed to yield the best structural models. In this regard it is particularly pleasing to see the recent (planned and actual) growth in diffractometers at neutron and synchrotron x-ray facilities that have been designed with total scattering in mind. Since the previous RMC workshop in 2006 [2] (and indeed the earlier workshop in 2003 [3]) there have been several developments in the technique and in the range of its application. On the technical side, the method has been used in conjunction with 'standard' Monte Carlo [4] and molecular dynamics [5] simulations and lattice dynamical calculations [6]; bond valence functionality [7] has been built into the {\\tt RMCProfile} code as well as more general calculations of molecular geometry constraints. Furthermore, existing RMC modelling codes have been updated and improved and made more 'user-friendly' [8]. Although the majority of RMC applications are still concerned with the structures of liquid and amorphous materials (see, for example, [9])—where atomistic modelling is the main method for obtaining three-dimensional structural information—there are now a significant number of papers each year which use RMC to investigate disorder within crystalline materials, to understand the structure of nano-materials and thin films, to characterize magnetic structure and to use RMC analysis of small-angle scattering data to investigate longer-range structural fluctuations. The RMC workshop was particularly beneficial, providing a forum for those workers in the field to take stock of past achievements and to look forward to future developments. It also enabled students and other young researchers to gain a deeper understanding of the RMC method at the start of their scientific careers. It is our hope that the collection of research papers within this special issue will communicate the vibrancy of this field to the wider scientific community by showing the current state-of-the-art research opportunities using the RMC method. Furthermore, by including a small number of papers from colleagues working on similar disordered problems with complementary analysis techniques, we hope that the RMC method may be placed in a broader scientific context. The papers have been arranged in order of increasing structural disorder, starting with studies of crystalline systems, through to amorphous materials and liquids, and ending with RMC developments using small-angle scattering. We are very grateful to IOP Publishing for their willingness to publish this collection of papers which celebrates the 21st anniversary of the first RMC publication in a special issue of Journal of Physics: Condensed Matter and for their co-ordination of the refereeing process. References [1] McGreevy R L 2001 J. Phys.: Condens. Matter 13 R877 [2] Keen D A and Pusztai L (ed) 2007 Proc. of RMC-3 (Budapest, Sept. 2006) J. Phys.: Condens. Matter 19 330301-335223 [3] Keen D A, Pusztai L and Dove M T (ed) 2005 Proc. of RMC-2 (Budapest, Oct. 2003) J. Phys.: Condens. Matter 17 S1-S174 [4] Nguyen T X, Cohaut N, Bae J-S and Bhatia S K 2008 Langmuir 24 7912 [5] Zhang H, Chen B and Banfield J F 2008 Phys. Rev. B 78 214106 [6] Goodwin A L, Calleja M, Conterio M J, Dove M T, Evans J S O, Keen D A, Peters L and Tucker M G 2008 Science 319 794 [7] Norberg S T, Tucker M G and Hull S 2009 J. Appl. Cryst. 42 179 [8] See www.RMCProfile.org, www.RMC-forum.org or www.szfki.hu/~nphys/rmc++/opening.html [9] Haines J, Levelut C, Isambert A, Hébert P, Kohara S, Keen D A, Hammouda T and Andrault D 2009 J. Am. Chem. Soc. 131 12333

Nucleon and heavy-ion total and absorption cross section for selected nuclei

NASA Technical Reports Server (NTRS)

Wilson, J. W.; Costner, C. M.

1975-01-01

Approximate solutions of the coupled-channel equations for high-energy composite particle scattering are obtained and are applied to the nuclear scattering problem. Relationships between several approximation procedures are established and discussed. The eikonal formalism is used with a small-angle approximation to calculate the coherent elastic scattered amplitude from which total and absorption cross sections are derived. Detailed comparisons with nucleon-nucleus experiments show agreement within 5 percent except at lower energies where the eikonal approximation is of questionable accuracy. Even at these lower energies, agreement is within 15 percent. Tables of cross sections required for cosmic heavy-ion transport and shielding studies are presented.

Visualization of hemodynamics and light scattering in exposed brain of rat using multispectral image reconstruction based on Wiener estimation method

NASA Astrophysics Data System (ADS)

Nishidate, Izumi; Ishizuka, Tomohiro; Yoshida, Keiichiro; Kawauchi, Satoko; Sato, Shunichi; Sato, Manabu

2015-07-01

We investigate a method to estimate the spectral images of reduced scattering coefficients and the absorption coefficients of in vivo exposed brain tissues in the range from visible to near-infrared wavelength (500-760 nm) based on diffuse reflectance spectroscopy using a digital RGB camera. In the proposed method, the multi-spectral reflectance images of in vivo exposed brain are reconstructed from the digital red, green, blue images using the Wiener estimation algorithm. The Monte Carlo simulation-based multiple regression analysis for the absorbance spectra is then used to specify the absorption and scattering parameters of brain tissue. In this analysis, the concentration of oxygenated hemoglobin and that of deoxygenated hemoglobin are estimated as the absorption parameters whereas the scattering amplitude a and the scattering power b in the expression of μs'=aλ-b as the scattering parameters, respectively. The spectra of absorption and reduced scattering coefficients are reconstructed from the absorption and scattering parameters, and finally, the spectral images of absorption and reduced scattering coefficients are estimated. We performed simultaneous recordings of spectral diffuse reflectance images and of the electrophysiological signals for in vivo exposed rat brain during the cortical spreading depression evoked by the topical application of KCl. Changes in the total hemoglobin concentration and the tissue oxygen saturation imply the temporary change in cerebral blood flow during CSD. Change in the reduced scattering coefficient was observed before the profound increase in the total hemoglobin concentration, and its occurrence was synchronized with the negative dc shift of the local field potential.

A multiple scattering theory for EM wave propagation in a dense random medium

NASA Technical Reports Server (NTRS)

Karam, M. A.; Fung, A. K.; Wong, K. W.

1985-01-01

For a dense medium of randomly distributed scatterers an integral formulation for the total coherent field has been developed. This formulation accounts for the multiple scattering of electromagnetic waves including both the twoand three-particle terms. It is shown that under the Markovian assumption the total coherent field and the effective field have the same effective wave number. As an illustration of this theory, the effective wave number and the extinction coefficient are derived in terms of the polarizability tensor and the pair distribution function for randomly distributed small spherical scatterers. It is found that the contribution of the three-particle term increases with the particle size, the volume fraction, the frequency and the permittivity of the particle. This increase is more significant with frequency and particle size than with other parameters.

Anisotropy enhanced X-ray scattering from solvated transition metal complexes

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

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

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

Anisotropy enhanced X-ray scattering from solvated transition metal complexes

DOE PAGES

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

2018-02-13

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

Electron impact scattering study of hypohalous acids HOX (X = F, Cl, Br, I)

NASA Astrophysics Data System (ADS)

Yadav, Hitesh; Bhutadia, Harshad; Prajapati, Dinesh; Desai, Hardik; Vinodkumar, Minaxi; Vinodkumar, P. C.

2018-05-01

In this article we aim to report total cross sections (TCS) QT, total elastic cross sections (Qel), total inelastic cross sections (Qinel) i.e. (total ionizations cross sections (Qion)+total electronic excitation cross sections (Qexc)) from threshold of the target to 5000 eV energy range. We have used a well-defined theoretical methodology Spherical Complex Optical Potential (SCOP) to compute QT, Qel and Qinel and Complex Scattering Potential - ionization contribution (CSP - ic) method to report the (Qion). The cross-sectional data reported here for the Hypohalous Acids is for the first time and the present data can become a guideline for the experimentalist to study these targets.

Structural hierarchy of chromatin in chicken erythrocyte nuclei based on small-angle neutron scattering: Fractal nature of the large-scale chromatin organization

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

Lebedev, D. V., E-mail: isaev@omrb.pnpi.spb.ru; Filatov, M. V.; Kuklin, A. I.

The chromatin organization in chicken erythrocyte nuclei was studied by small-angle neutron scattering in the scattering-vector range from 1.5 x 10{sup -1} to 10{sup -4} A{sup -1} with the use of the contrast-variation technique. This scattering-vector range corresponds to linear dimensions from 4 nm to 6 {mu}m and covers the whole hierarchy of chromatin structures, from the nucleosomal structure to the entire nucleus. The results of the present study allowed the following conclusions to be drawn: (1) both the chromatin-protein structure and the structure of the nucleic acid component in chicken erythrocyte nuclei have mass-fractal properties, (2) the structure ofmore » the protein component of chromatin exhibits a fractal behavior on scales extending over two orders of magnitude, from the nucleosomal size to the size of an entire nucleus, and (3) the structure of the nucleic acid component of chromatin in chicken erythrocyte nuclei is likewise of a fractal nature and has two levels of organization or two phases with the crossover point at about 300-400 nm.« less

Feasibility of Rayleigh Scattering Flow Diagnostics in the National Transonic Facility

NASA Technical Reports Server (NTRS)

Herring, Gregory C.; Lee, Joseph W.; Goad, William K.

2015-01-01

Laser-based Rayleigh light scattering (RLS) was performed in the National Transonic Facility (NTF) at NASA Langley Research Center. The goal was to determine if the free-stream flow undergoes clustering (early stage of condensation from gas to liquid) or remains in a pure diatomic molecular phase. Data indicate that clusters are not observable down to levels of 10% of the total light scatter for a variety of total pressures at one N2 cryogenic-mode total temperature (Tt = -50 F = 227 K) and one air-mode temperature (Tt = +130 F = 327 K). Thus RLS appears viable as a qualitative or quantitative diagnostic for flow density in NTF in the future. Particles are distinguished from optically unresolvable clusters because they are much larger and individually resolvable in the laser beam image with Mie scattering. The same RLS apparatus was also used, without modification, to visualize naturally occurring particles entrained in the flow for both cryogenic and air-modes. Estimates of the free-stream particle flux are presented, which may be important for interpretation of laminar-to-turbulent boundary-layer transition studies. 1

Small-angle neutron scattering study of specific interaction and coordination structure formed by mono-acetyl-substituted dibenzo-20-crown-6-ether and cesium ions

DOE PAGES

Motokawa, Ryuhei; Kobayashi, Tohru; Endo, Hitoshi; ...

2015-10-26

This study uses small-angle neutron scattering (SANS) to elucidate the coordination structure of the complex of mono-acetyl-substituted dibenzo-20-crown-6-ether (ace-DB20C6) with cesium ions (Cs +). SANS profiles obtained for the complex of ace-DB20C6 and Cs + (ace-DB20C6/Cs) in deuterated dimethyl sulfoxide indicated that Cs + coordination resulted in a more compact structure than the free ace-DB20C6. The data were fitted well with SANS profiles calculated using Debye function for scattering on an absolute scattering intensity scale. For this theoretical calculation of the scattering profiles, the coordination structure proposed based on density functional theory calculation was used. Furthermore, we conclude that themore » SANS analysis experimentally supports the proposed coordination structure of ace-DB20C6/Cs and suggests the following: (1) the complex of ace-DB20C6 and Cs + is formed with an ace-DB20C6/Cs molar ratio of 1/1 and (2) the two benzene rings of ace-DB20C6 fold around Cs + above the center of the crown ether ring of ace-DB20C6.« less

Small-angle neutron scattering study of specific interaction and coordination structure formed by mono-acetyl-substituted dibenzo-20-crown-6-ether and cesium ions

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

Motokawa, Ryuhei; Kobayashi, Tohru; Endo, Hitoshi

This study uses small-angle neutron scattering (SANS) to elucidate the coordination structure of the complex of mono-acetyl-substituted dibenzo-20-crown-6-ether (ace-DB20C6) with cesium ions (Cs +). SANS profiles obtained for the complex of ace-DB20C6 and Cs + (ace-DB20C6/Cs) in deuterated dimethyl sulfoxide indicated that Cs + coordination resulted in a more compact structure than the free ace-DB20C6. The data were fitted well with SANS profiles calculated using Debye function for scattering on an absolute scattering intensity scale. For this theoretical calculation of the scattering profiles, the coordination structure proposed based on density functional theory calculation was used. Furthermore, we conclude that themore » SANS analysis experimentally supports the proposed coordination structure of ace-DB20C6/Cs and suggests the following: (1) the complex of ace-DB20C6 and Cs + is formed with an ace-DB20C6/Cs molar ratio of 1/1 and (2) the two benzene rings of ace-DB20C6 fold around Cs + above the center of the crown ether ring of ace-DB20C6.« less

BIM-Sim: Interactive Simulation of Broadband Imaging Using Mie Theory

NASA Astrophysics Data System (ADS)

Berisha, Sebastian; van Dijk, Thomas; Bhargava, Rohit; Carney, P. Scott; Mayerich, David

2017-02-01

Understanding the structure of a scattered electromagnetic (EM) field is critical to improving the imaging process. Mechanisms such as diffraction, scattering, and interference affect an image, limiting the resolution and potentially introducing artifacts. Simulation and visualization of scattered fields thus plays an important role in imaging science. However, the calculation of scattered fields is extremely time-consuming on desktop systems and computationally challenging on task-parallel systems such as supercomputers and cluster systems. In addition, EM fields are high-dimensional, making them difficult to visualize. In this paper, we present a framework for interactively computing and visualizing EM fields scattered by micro and nano-particles. Our software uses graphics hardware for evaluating the field both inside and outside of these particles. We then use Monte-Carlo sampling to reconstruct and visualize the three-dimensional structure of the field, spectral profiles at individual points, the structure of the field at the surface of the particle, and the resulting image produced by an optical system.

Electromagnetic scattering and emission by a fixed multi-particle object in local thermal equilibrium: General formalism.

PubMed

Mishchenko, Michael I

2017-10-01

The majority of previous studies of the interaction of individual particles and multi-particle groups with electromagnetic field have focused on either elastic scattering in the presence of an external field or self-emission of electromagnetic radiation. In this paper we apply semi-classical fluctuational electrodynamics to address the ubiquitous scenario wherein a fixed particle or a fixed multi-particle group is exposed to an external quasi-polychromatic electromagnetic field as well as thermally emits its own electromagnetic radiation. We summarize the main relevant axioms of fluctuational electrodynamics, formulate in maximally rigorous mathematical terms the general scattering-emission problem for a fixed object, and derive such fundamental corollaries as the scattering-emission volume integral equation, the Lippmann-Schwinger equation for the dyadic transition operator, the multi-particle scattering-emission equations, and the far-field limit. We show that in the framework of fluctuational electrodynamics, the computation of the self-emitted component of the total field is completely separated from that of the elastically scattered field. The same is true of the computation of the emitted and elastically scattered components of quadratic/bilinear forms in the total electromagnetic field. These results pave the way to the practical computation of relevant optical observables.

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

NASA Astrophysics Data System (ADS)

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

1990-07-01

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

Target correlation effects on neutron-nucleus total, absorption, and abrasion cross sections

NASA Technical Reports Server (NTRS)

Cucinotta, Francis A.; Townsend, Lawrence W.; Wilson, John W.

1991-01-01

Second order optical model solutions to the elastic scattering amplitude were used to evaluate total, absorption, and abrasion cross sections for neutron nucleus scattering. Improved agreement with experimental data for total and absorption cross sections is found when compared with first order (coherent approximation) solutions, especially below several hundred MeV. At higher energies, the first and second order solutions are similar. There are also large differences in abrasion cross section calculations; these differences indicate a crucial role for cluster knockout in the abrasion step.

Fitting Data to Model: Structural Equation Modeling Diagnosis Using Two Scatter Plots

ERIC Educational Resources Information Center

Yuan, Ke-Hai; Hayashi, Kentaro

2010-01-01

This article introduces two simple scatter plots for model diagnosis in structural equation modeling. One plot contrasts a residual-based M-distance of the structural model with the M-distance for the factor score. It contains information on outliers, good leverage observations, bad leverage observations, and normal cases. The other plot contrasts…

SU-E-T-489: Quantum versus Classical Trajectory Monte Carlo Simulations of Low Energy Electron Transport.

PubMed

Thomson, R; Kawrakow, I

2012-06-01

Widely-used classical trajectory Monte Carlo simulations of low energy electron transport neglect the quantum nature of electrons; however, at sub-1 keV energies quantum effects have the potential to become significant. This work compares quantum and classical simulations within a simplified model of electron transport in water. Electron transport is modeled in water droplets using quantum mechanical (QM) and classical trajectory Monte Carlo (MC) methods. Water droplets are modeled as collections of point scatterers representing water molecules from which electrons may be isotropically scattered. The role of inelastic scattering is investigated by introducing absorption. QM calculations involve numerically solving a system of coupled equations for the electron wavefield incident on each scatterer. A minimum distance between scatterers is introduced to approximate structured water. The average QM water droplet incoherent cross section is compared with the MC cross section; a relative error (RE) on the MC results is computed. RE varies with electron energy, average and minimum distances between scatterers, and scattering amplitude. The mean free path is generally the relevant length scale for estimating RE. The introduction of a minimum distance between scatterers increases RE substantially (factors of 5 to 10), suggesting that the structure of water must be modeled for accurate simulations. Inelastic scattering does not improve agreement between QM and MC simulations: for the same magnitude of elastic scattering, the introduction of inelastic scattering increases RE. Droplet cross sections are sensitive to droplet size and shape; considerable variations in RE are observed with changing droplet size and shape. At sub-1 keV energies, quantum effects may become non-negligible for electron transport in condensed media. Electron transport is strongly affected by the structure of the medium. Inelastic scatter does not improve agreement between QM and MC simulations of low energy electron transport in condensed media. © 2012 American Association of Physicists in Medicine.

Local atomic and magnetic structure of dilute magnetic semiconductor (Ba ,K ) (Zn,Mn ) 2As2

NASA Astrophysics Data System (ADS)

Frandsen, Benjamin A.; Gong, Zizhou; Terban, Maxwell W.; Banerjee, Soham; Chen, Bijuan; Jin, Changqing; Feygenson, Mikhail; Uemura, Yasutomo J.; Billinge, Simon J. L.

2016-09-01

We have studied the atomic and magnetic structure of the dilute ferromagnetic semiconductor system (Ba ,K )(Zn ,Mn )2As2 through atomic and magnetic pair distribution function analysis of temperature-dependent x-ray and neutron total scattering data. We detected a change in curvature of the temperature-dependent unit cell volume of the average tetragonal crystallographic structure at a temperature coinciding with the onset of ferromagnetic order. We also observed the existence of a well-defined local orthorhombic structure on a short length scale of ≲5 Å , resulting in a rather asymmetrical local environment of the Mn and As ions. Finally, the magnetic PDF revealed ferromagnetic alignment of Mn spins along the crystallographic c axis, with robust nearest-neighbor ferromagnetic correlations that exist even above the ferromagnetic ordering temperature. We discuss these results in the context of other experiments and theoretical studies on this system.

Direct measurement of radiative scattering of surface plasmon polariton resonance from metallic arrays by polarization-resolved reflectivity spectroscopy

NASA Astrophysics Data System (ADS)

Lo, H. Y.; Chan, C. Y.; Ong, H. C.

2012-11-01

We have measured the radiative scattering from two-dimensional metallic arrays by using polarization-resolved reflectivity spectroscopy. We find the reflectivity spectra follow the Fano-like model that can be derived from temporal coupled mode theory and Jones matrix calculus. By orthogonally orienting the incident polarizer and the detection analyzer, reflectivity dips flip into peaks and the radiative scattering efficiency can be determined accordingly. The dependence of total radiative scattering efficiency on wavelength and hole diameter is found to agree well with Rayleigh scattering by single hole.

Achieving a strongly negative scattering asymmetry factor in random media composed of dual-dipolar particles

NASA Astrophysics Data System (ADS)

Wang, B. X.; Zhao, C. Y.

2018-02-01

Understanding radiative transfer in random media like micro- or nanoporous and particulate materials, allows people to manipulate the scattering and absorption of radiation, as well as opens new possibilities in applications such as imaging through turbid media, photovoltaics, and radiative cooling. A strong-backscattering phase function, i.e., a negative scattering asymmetry parameter g , is of great interest, which can possibly lead to unusual radiative transport phenomena, for instance, Anderson localization of light. Here we demonstrate that by utilizing the structural correlations and second Kerker condition for a disordered medium composed of randomly distributed silicon nanoparticles, a strongly negative scattering asymmetry factor (g ˜-0.5 ) for multiple light scattering can be realized in the near infrared. Based on the multipole expansion of Foldy-Lax equations and quasicrystalline approximation (QCA), we have rigorously derived analytical expressions for the effective propagation constant and scattering phase function for a random system containing spherical particles, by taking the effect of structural correlations into account. We show that as the concentration of scattering particles rises, the backscattering is also enhanced. Moreover, in this circumstance, the transport mean free path is largely reduced and even becomes smaller than that predicted by independent scattering approximation. We further explore the dependent scattering effects, including the modification of electric and magnetic dipole excitations and far-field interference effect, both induced and influenced by the structural correlations, for volume fraction of particles up to fv˜0.25 . Our results have profound implications in harnessing micro- or nanoscale radiative transfer through random media.

QCD analysis of neutrino charged current structure function F2 in deep inelastic scattering

NASA Technical Reports Server (NTRS)

Saleem, M.; Aleem, F.

1985-01-01

An analytic expression for the neutrino charged current structure function F sub 2 (x, Q sup 2) in deep inelastic scattering, consistent with quantum chromodynamics, is proposed. The calculated results are in good agreement with experiment.

Temperature-Dependent Second Shell Interference in the First Shell Analysis of Crystalline InP X-ray Absorption Spectroscopy Data

NASA Astrophysics Data System (ADS)

Schnohr, Claudia S.; Araujo, Leandro L.; Ridgway, Mark C.

2014-09-01

Analysing only the first nearest neighbour (NN) scattering signal is a commonly used and often successful way to treat extended X-ray absorption fine structure data. However, using temperature-dependent measurements of InP as an example, we demonstrate how this approach can lead to erroneous first NN structural parameters in systems with a weak first but strong second NN scatterer. In such cases, particularly low temperature data may suffer from an overlap of first and second NN scattering signals caused by the Fourier transformation (FT) even if the dominant peaks appear to be well separated. The first NN structural parameters then vary as a function of the FT settings if only the first NN scattering contribution is considered in the analysis. Although this variation is small, it can also lead to significant differences in other calculated properties such as the Einstein temperature. We demonstrate that these variations can be avoided either by choosing an appropriate FT window or by including the scattering contributions of higher shells in the analysis. The latter is achieved by a path fitting approach and yields structural parameters independent of the FT settings used.

Long Periodic Structure of a Room-Temperature Ionic Liquid by High-Pressure Small-Angle X-Ray Scattering and Wide-Angle X-Ray Scattering: 1-Decyl-3-Methylimidazolium Chloride.

PubMed

Abe, Hiroshi; Hamaya, Nozomu; Koyama, Yoshihiro; Kishimura, Hiroaki; Takekiyo, Takahiro; Yoshimura, Yukihiro; Wakabayashi, Daisuke; Funamori, Nobumasa; Matsuishi, Kiyoto

2018-04-23

The Bragg reflections of 1-decyl-3-methylimidazolium chloride ([C 10 mim][Cl]), a room-temperature ionic liquid, are observed in a lowly scattered wavevector (q) region using high-pressure (HP) small-angle X-ray scattering methods. The HP crystal of [C 10 mim][Cl] was characterized by an extremely long periodic structure. The peak position at the lowest q (1.4 nm -1 ) was different from that of the prepeak observed in the liquid state (2.3 nm -1 ). Simultaneously, Bragg reflections at high-q were detected using HP wide-angle X-ray scattering. The longest lattice constant was estimated to be 4.3 nm using structural analysis. The crystal structure of HP differed from that of the low-temperature (LT) crystal and the LT liquid crystal. With increasing pressure, Bragg reflections in the high-q component became much broader, and were accompanied by phase transition, although those in the low-q component were observed to be relatively sharp. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

NASA Astrophysics Data System (ADS)

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

2017-11-01

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

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

NASA Astrophysics Data System (ADS)

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

2012-01-01

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

Polarimetry and Interferometry Applications

DTIC Science & Technology

2005-02-01

contribution of the backscattering is occurring in the crown. Since for the traditional SAR interferometry only the total phase center of all scattering...double bounce scattering mechanism between the tree trunks and ground level. This contribution has its scattering phase center on the ground and is not...polarizations shows several differences. But addi- tionally to these amplitude images also the phase relations between the polarizations contain

Symmetry considerations in the scattering of identical composite bodies

NASA Technical Reports Server (NTRS)

Norbury, J. W.; Townsend, L. W.; Deutchman, P. A.

1986-01-01

Previous studies of the interactions between composite particles were extended to the case in which the composites are identical. The form of the total interaction potential matrix elements was obtained, and guidelines for their explicit evaluation were given. For the case of elastic scattering of identical composites, the matrix element approach was shown to be equivalent to the scattering amplitude method.

Positron-rubidium scattering

NASA Technical Reports Server (NTRS)

Mceachran, R. P.; Horbatsch, M.; Stauffer, A. D.

1990-01-01

A 5-state close-coupling calculation (5s-5p-4d-6s-6p) was carried out for positron-Rb scattering in the energy range 3.7 to 28.0 eV. In contrast to the results of similar close-coupling calculations for positron-Na and positron-K scattering the (effective) total integrated cross section has an energy dependence which is contrary to recent experimental measurements.

Structure of Immune Stimulating Complex Matrices and Immune Stimulating Complexes in Suspension Determined by Small-Angle X-Ray Scattering

PubMed Central

Pedersen, Jan Skov; Oliveira, Cristiano L.P.; Hübschmann, Henriette Baun; Arleth, Lise; Manniche, Søren; Kirkby, Nicolai; Nielsen, Hanne Mørck

2012-01-01

Immune stimulating complex (ISCOM) particles consisting of a mixture of Quil-A, cholesterol, and phospholipids were structurally characterized by small-angle x-ray scattering (SAXS). The ISCOM particles are perforated vesicles of very well-defined structures. We developed and implemented a novel (to our knowledge) modeling method based on Monte Carlo simulation integrations to describe the SAXS data. This approach is similar to the traditional modeling of SAXS data, in which a structure is assumed, the scattering intensity is calculated, and structural parameters are optimized by weighted least-squares methods when the model scattering intensity is fitted to the experimental data. SAXS data from plain ISCOM matrix particles in aqueous suspension, as well as those from complete ISCOMs (i.e., with an antigen (tetanus toxoid) incorporated) can be modeled as a polydisperse distribution of perforated bilayer vesicles with icosahedral, football, or tennis ball structures. The dominating structure is the tennis ball structure, with an outer diameter of 40 nm and with 20 holes 5–6 nm in diameter. The lipid bilayer membrane is 4.6 nm thick, with a low-electron-density, 2.0-nm-thick hydrocarbon core. Surprisingly, in the ISCOMs, the tetanus toxoid is located just below the membrane inside the particles. PMID:22677391

Use of dynamic light scattering and small-angle X-ray scattering to characterize new surfactants in solution conditions for membrane-protein crystallization

PubMed Central

Dahani, Mohamed; Barret, Laurie-Anne; Raynal, Simon; Jungas, Colette; Pernot, Pétra; Polidori, Ange; Bonneté, Françoise

2015-01-01

The structural and interactive properties of two novel hemifluorinated surfactants, F2H9-β-M and F4H5-β-M, the syntheses of which were based on the structure and hydrophobicity of the well known dodecyl-β-maltoside (DD-β-M), are described. The shape of their micellar assemblies was characterized by small-angle X-ray scattering and their intermicellar inter­actions in crystallizing conditions were measured by dynamic light scattering. Such information is essential for surfactant phase-diagram determination and membrane-protein crystallization. PMID:26144228

Exact Time-Dependent Exchange-Correlation Potential in Electron Scattering Processes

NASA Astrophysics Data System (ADS)

Suzuki, Yasumitsu; Lacombe, Lionel; Watanabe, Kazuyuki; Maitra, Neepa T.

2017-12-01

We identify peak and valley structures in the exact exchange-correlation potential of time-dependent density functional theory that are crucial for time-resolved electron scattering in a model one-dimensional system. These structures are completely missed by adiabatic approximations that, consequently, significantly underestimate the scattering probability. A recently proposed nonadiabatic approximation is shown to correctly capture the approach of the electron to the target when the initial Kohn-Sham state is chosen judiciously, and it is more accurate than standard adiabatic functionals but ultimately fails to accurately capture reflection. These results may explain the underestimation of scattering probabilities in some recent studies on molecules and surfaces.

Anisotropic Light Scattering from Ferrofluids

NASA Astrophysics Data System (ADS)

Rablau, Corneliu; Vaishnava, Prem; Naik, Ratna; Lawes, Gavin; Tackett, Ron; Sudakar, C.

2008-03-01

We have investigated the light scattering in DC magnetic fields from aqueous suspensions of Fe3O4 nanoparticles coated with tetra methyl ammonium hydroxide and γ-Fe2O3 nanoparticles embedded in alginate hydrogel. For Fe3O4 ferrofluid, anomalous light scattering behavior was observed when light propagated both parallel and perpendicular to the magnetic fields. This behavior is attributed to the alignment and aggregation of the nanoparticles in chain-like structures. A very different light scattering behavior was observed for γ-Fe2O3 alginate sample where, under the similar conditions, the application of the magnetic field produced no structured change in scattering. We attribute this difference to the absence of chain-like structures and constrained mobility of iron nanoparticles in the alginate sample. The observation is in agreement with our relaxation and dissipative heating results^1 where both samples exhibited Neel relaxation but only the Fe3O4 ferrofluid showed Brownian relaxation. The results suggest that Brownian relaxation and nanoparticle mobility are important for producing non-linear light scattering in such systems. ^1P.P. Vaishnava, R. Tackett, A. Dixit, C. Sudakar, R. Naik, and G. Lawes, J. Appl. Phys. 102, 063914 (2007).

Guided wave crack detection and size estimation in stiffened structures

NASA Astrophysics Data System (ADS)

Bhuiyan, Md Yeasin; Faisal Haider, Mohammad; Poddar, Banibrata; Giurgiutiu, Victor

2018-03-01

Structural health monitoring (SHM) and nondestructive evaluation (NDE) deals with the nondestructive inspection of defects, corrosion, leaks in engineering structures by using ultrasonic guided waves. In the past, simplistic structures were often considered for analyzing the guided wave interaction with the defects. In this study, we focused on more realistic and relatively complicated structure for detecting any defect by using a non-contact sensing approach. A plate with a stiffener was considered for analyzing the guided wave interactions. Piezoelectric wafer active transducers were used to produce excitation in the structures. The excitation generated the multimodal guided waves (aka Lamb waves) that propagate in the plate with stiffener. The presence of stiffener in the plate generated scattered waves. The direct wave and the additional scattered waves from the stiffener were experimentally recorded and studied. These waves were considered as a pristine case in this research. A fine horizontal semi-circular crack was manufactured by using electric discharge machining in the same stiffener. The presence of crack in the stiffener produces additional scattered waves as well as trapped waves. These scattered waves and trapped wave modes from the cracked stiffener were experimentally measured by using a scanning laser Doppler vibrometer (SLDV). These waves were analyzed and compared with that from the pristine case. The analyses suggested that both size and shape of the horizontal crack may be predicted from the pattern of the scattered waves. Different features (reflection, transmission, and mode-conversion) of the scattered wave signals are analyzed. We found direct transmission feature for incident A0 wave mode and modeconversion feature for incident S0 mode are most suitable for detecting the crack in the stiffener. The reflection feature may give a better idea of sizing the crack.

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

NASA Astrophysics Data System (ADS)

Zhu, Zheyuan; Pang, Shuo

2017-05-01

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

QCD Precision Measurements and Structure Function Extraction at a High Statistics, High Energy Neutrino Scattering Experiment:. NuSOnG

NASA Astrophysics Data System (ADS)

Adams, T.; Batra, P.; Bugel, L.; Camilleri, L.; Conrad, J. M.; de Gouvêa, A.; Fisher, P. H.; Formaggio, J. A.; Jenkins, J.; Karagiorgi, G.; Kobilarcik, T. R.; Kopp, S.; Kyle, G.; Loinaz, W. A.; Mason, D. A.; Milner, R.; Moore, R.; Morfín, J. G.; Nakamura, M.; Naples, D.; Nienaber, P.; Olness, F. I.; Owens, J. F.; Pate, S. F.; Pronin, A.; Seligman, W. G.; Shaevitz, M. H.; Schellman, H.; Schienbein, I.; Syphers, M. J.; Tait, T. M. P.; Takeuchi, T.; Tan, C. Y.; van de Water, R. G.; Yamamoto, R. K.; Yu, J. Y.

We extend the physics case for a new high-energy, ultra-high statistics neutrino scattering experiment, NuSOnG (Neutrino Scattering On Glass) to address a variety of issues including precision QCD measurements, extraction of structure functions, and the derived Parton Distribution Functions (PDF's). This experiment uses a Tevatron-based neutrino beam to obtain a sample of Deep Inelastic Scattering (DIS) events which is over two orders of magnitude larger than past samples. We outline an innovative method for fitting the structure functions using a parametrized energy shift which yields reduced systematic uncertainties. High statistics measurements, in combination with improved systematics, will enable NuSOnG to perform discerning tests of fundamental Standard Model parameters as we search for deviations which may hint of "Beyond the Standard Model" physics.

Preparing Monodisperse Macromolecular Samples for Successful Biological Small-Angle X-ray and Neutron Scattering Experiments

PubMed Central

Jeffries, Cy M.; Graewert, Melissa A.; Blanchet, Clément E.; Langley, David B.; Whitten, Andrew E.; Svergun, Dmitri I

2017-01-01

Small-angle X-ray and neutron scattering (SAXS and SANS) are techniques used to extract structural parameters and determine the overall structures and shapes of biological macromolecules, complexes and assemblies in solution. The scattering intensities measured from a sample contain contributions from all atoms within the illuminated sample volume including the solvent and buffer components as well as the macromolecules of interest. In order to obtain structural information, it is essential to prepare an exactly matched solvent blank so that background scattering contributions can be accurately subtracted from the sample scattering to obtain the net scattering from the macromolecules in the sample. In addition, sample heterogeneity caused by contaminants, aggregates, mismatched solvents, radiation damage or other factors can severely influence and complicate data analysis so it is essential that the samples are pure and monodisperse for the duration of the experiment. This Protocol outlines the basic physics of SAXS and SANS and reveals how the underlying conceptual principles of the techniques ultimately ‘translate’ into practical laboratory guidance for the production of samples of sufficiently high quality for scattering experiments. The procedure describes how to prepare and characterize protein and nucleic acid samples for both SAXS and SANS using gel electrophoresis, size exclusion chromatography and light scattering. Also included are procedures specific to X-rays (in-line size exclusion chromatography SAXS) and neutrons, specifically preparing samples for contrast matching/variation experiments and deuterium labeling of proteins. PMID:27711050

Quantitative 1D diffraction signatures during dual detector scatter VOI breast CBCT

NASA Astrophysics Data System (ADS)

LeClair, Robert J.

2017-03-01

Dual detector VOI scatter CBCT is similar to dual detector VOI CBCT except that during the high resolution scan, the low resolution flat panel detector is also used to capture the scattered photons. Simulations show a potential use of scatter to diagnose suspicious VOIs. Energy integrated signals due to scatter (EISs) were computed for a specific imaging task involving a malignant lesion and was labelled as a hypothetical experiment (expt) result. The signal was compared to predictions (pred) using benign and malignant lesions. The ΔEISs=EISs|expt - EISs|pred displayed eye catching diffraction structure when the prediction calculation used a benign lesion. The structure occurred even when the phantom compositions were different for prediction and experiment calculations. Since the diffraction structure has a circularly symmetric behaviour because the tissues are amorphous in nature, the 2D ΔEISs patterns were transformed to 1D signals. The 1D signals were obtained by calculating the mean ΔEISs signals in rings. The mean pixel values were a function of the momentum transfer argument q = 4π sin(θ/2)/λ which ranged from 12 to 46 nm-1. The 1D signals correlated well with the 2D profiles. Of particular interest were scatter signatures between q = 20 and 30 nm-1 where malignant tissue is predicted to scatter more than benign fibroglandular tissue. The 1D diffraction signatures could allow a better method to diagnose a suspicious lesion during dual detector scatter VOI CBCT.

X-ray scattering data and structural genomics

NASA Astrophysics Data System (ADS)

Doniach, Sebastian

2003-03-01

High throughput structural genomics has the ambitious goal of determining the structure of all, or a very large number of protein folds using the high-resolution techniques of protein crystallography and NMR. However, the program is facing significant bottlenecks in reaching this goal, which include problems of protein expression and crystallization. In this talk, some preliminary results on how the low-resolution technique of small-angle X-ray solution scattering (SAXS) can help ameliorate some of these bottlenecks will be presented. One of the most significant bottlenecks arises from the difficulty of crystallizing integral membrane proteins, where only a handful of structures are available compared to thousands of structures for soluble proteins. By 3-dimensional reconstruction from SAXS data, the size and shape of detergent-solubilized integral membrane proteins can be characterized. This information can then be used to classify membrane proteins which constitute some 25% of all genomes. SAXS may also be used to study the dependence of interparticle interference scattering on solvent conditions so that regions of the protein solution phase diagram which favor crystallization can be elucidated. As a further application, SAXS may be used to provide physical constraints on computational methods for protein structure prediction based on primary sequence information. This in turn can help in identifying structural homologs of a given protein, which can then give clues to its function. D. Walther, F. Cohen and S. Doniach. "Reconstruction of low resolution three-dimensional density maps from one-dimensional small angle x-ray scattering data for biomolecules." J. Appl. Cryst. 33(2):350-363 (2000). Protein structure prediction constrained by solution X-ray scattering data and structural homology identification Zheng WJ, Doniach S JOURNAL OF MOLECULAR BIOLOGY , v. 316(#1) pp. 173-187 FEB 8, 2002

Total cross sections for positrons scattered elastically from helium based on new measurements of total ionization cross sections

NASA Technical Reports Server (NTRS)

Diana, L. M.; Chaplin, R. L.; Brooks, D. L.; Adams, J. T.; Reyna, L. K.

1990-01-01

An improved technique is presented for employing the 2.3m spectrometer to measure total ionization cross sections, Q sub ion, for positrons incident on He. The new ionization cross section agree with the values reported earlier. Estimates are also presented of total elastic scattering cross section, Q sub el, obtained by subtracting from total scattering cross sections, Q sub tot, reported in the literature, the Q sub ion and Q sub Ps (total positronium formation cross sections) and total excitation cross sections, Q sub ex, published by another researcher. The Q sub ion and Q sub el measured with the 3m high resolution time-of-flight spectrometer for 54.9eV positrons are in accord with the results from the 2.3m spectrometer. The ionization cross sections are in fair agreement with theory tending for the most part to be higher, especially at 76.3 and 88.5eV. The elastic cross section agree quite well with theory to the vicinity of 50eV, but at 60eV and above the experimental elastic cross sections climb to and remain at about 0.30 pi a sub o sq while the theoretical values steadily decrease.

Instrumentation on Multi-Scaled Scattering of Bio-Macromolecular Solutions

PubMed Central

Chu, Benjamin; Fang, Dufei; Mao, Yimin

2015-01-01

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

Strategies for Multi-Modal Analysis

NASA Astrophysics Data System (ADS)

Hexemer, Alexander; Wang, Cheng; Pandolfi, Ronald; Kumar, Dinesh; Venkatakrishnan, Singanallur; Sethian, James; Camera Team

This section on soft materials will be dedicated to discuss the extraction of the chemical distribution and spatial arrangement of constituent elements and functional groups at multiple length scales and, thus, the examination of collective dynamics, transport, and electronic ordering phenomena. Traditional measures of structure in soft materials have relied heavily on scattering and imaging based techniques due to their capacity to measure nanoscale dimensions and their capacity to monitor structure under conditions of dynamic stress loading. Special attentions are planned to focus on the application of resonant x-ray scattering, contrast-varied neutron scattering, analytical transmission electron microscopy, and their combinations. This session aims to bring experts in both scattering and electron microscope fields to discuss recent advances in selectively characterizing structural architectures of complex soft materials, which have often multi-components with a wide range of length scales and multiple functionalities, and thus hopes to foster novel ideas to decipher a higher level of structural complexity in soft materials in future. CAMERA, Early Career Award.

Grazing-incidence small-angle X-ray scattering (GISAXS) on small periodic targets using large beams

PubMed Central

Soltwisch, Victor; Probst, Jürgen; Scholze, Frank; Krumrey, Michael

2017-01-01

Grazing-incidence small-angle X-ray scattering (GISAXS) is often used as a versatile tool for the contactless and destruction-free investigation of nano­structured surfaces. However, due to the shallow incidence angles, the footprint of the X-ray beam is significantly elongated, limiting GISAXS to samples with typical target lengths of several millimetres. For many potential applications, the production of large target areas is impractical, and the targets are surrounded by structured areas. Because the beam footprint is larger than the targets, the surrounding structures contribute parasitic scattering, burying the target signal. In this paper, GISAXS measurements of isolated as well as surrounded grating targets in Si substrates with line lengths from 50 µm down to 4 µm are presented. For the isolated grating targets, the changes in the scattering patterns due to the reduced target length are explained. For the surrounded grating targets, the scattering signal of a 15 µm × 15 µm target grating structure is separated from the scattering signal of 100 µm × 100 µm nanostructured surroundings by producing the target with a different orientation with respect to the predominant direction of the surrounding structures. As virtually all litho­graphically produced nanostructures have a predominant direction, the described technique allows GISAXS to be applied in a range of applications, e.g. for characterization of metrology fields in the semiconductor industry, where up to now it has been considered impossible to use this method due to the large beam footprint. PMID:28875030

Grazing-incidence small-angle X-ray scattering (GISAXS) on small periodic targets using large beams.

PubMed

Pflüger, Mika; Soltwisch, Victor; Probst, Jürgen; Scholze, Frank; Krumrey, Michael

2017-07-01

Grazing-incidence small-angle X-ray scattering (GISAXS) is often used as a versatile tool for the contactless and destruction-free investigation of nano-structured surfaces. However, due to the shallow incidence angles, the footprint of the X-ray beam is significantly elongated, limiting GISAXS to samples with typical target lengths of several millimetres. For many potential applications, the production of large target areas is impractical, and the targets are surrounded by structured areas. Because the beam footprint is larger than the targets, the surrounding structures contribute parasitic scattering, burying the target signal. In this paper, GISAXS measurements of isolated as well as surrounded grating targets in Si substrates with line lengths from 50 µm down to 4 µm are presented. For the isolated grating targets, the changes in the scattering patterns due to the reduced target length are explained. For the surrounded grating targets, the scattering signal of a 15 µm × 15 µm target grating structure is separated from the scattering signal of 100 µm × 100 µm nanostructured surroundings by producing the target with a different orientation with respect to the predominant direction of the surrounding structures. As virtually all litho-graphically produced nanostructures have a predominant direction, the described technique allows GISAXS to be applied in a range of applications, e.g.  for characterization of metrology fields in the semiconductor industry, where up to now it has been considered impossible to use this method due to the large beam footprint.

The structure of epitaxial V2O3 films and their surfaces: A medium energy ion scattering study

NASA Astrophysics Data System (ADS)

Window, A. J.; Hentz, A.; Sheppard, D. C.; Parkinson, G. S.; Woodruff, D. P.; Unterberger, W.; Noakes, T. C. Q.; Bailey, P.; Ganduglia-Pirovano, M. V.; Sauer, J.

2012-11-01

Medium energy ion scattering, using 100 keV H+ incident ions, has been used to investigate the growth of epitaxial films, up to thicknesses of ~ 200 Å, of V2O3 on both Pd(111) and Au(111). Scattered-ion energy spectra provide a measure of the average film thickness and the variations in this thickness, and show that, with suitable annealing, the crystalline quality is good. Plots of the scattering yield as a function of scattering angle, so-called blocking curves, have been measured for two different incidence directions and have been used to determine the surface structure. Specifically, scattering simulations for a range of different model structures show poor agreement with experiment for half-metal (….V'O3V) and vanadyl (….V'O3V=O) terminations, with and without surface interlayer relaxations. However, good agreement with experiment is found for the modified oxygen-termination structure, first proposed by Kresse et al., in which a subsurface V half-metal layer is moved up into the outermost V buckled metal layer to produce a VO2 overlayer on the underlying V2O3, with an associated layer structure of ….O3VV''V 'O3. This result is consistent with the predictions of thermodynamic equilibrium at the surface under the surface preparation conditions, but is at variance with the conclusions of earlier studies of this system that have favoured the vanadyl termination. The results of these previous studies are re-evaluated in the light of the new result.

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

Anderson, Brian B.; Kirkegaard, Marie C.; Miskowiec, Andrew J.

Uranyl fluoride (UO 2F 2) is a hygroscopic powder with two main structural phases: an anhydrous crystal and a partially hydrated crystal of the same R¯3m symmetry. The formally closed-shell electron structure of anhydrous UO 2F 2 is amenable to density functional theory calculations. We use density functional perturbation theory (DFPT) to calculate the vibrational frequencies of the anhydrous crystal structure and employ complementary inelastic neutron scattering and temperature-dependent Raman scattering to validate those frequencies. As a model closed-shell actinide, we investigated the effect of LDA, GGA, and non-local vdW functionals as well as the spherically-averaged Hubbard +U correction onmore » vibrational frequencies, electronic structure, and geometry of anhydrous UO 2F 2. A particular choice of U eff = 5.5 eV yields the correct U Oyl bond distance and vibrational frequencies for the characteristic Eg and A1g modes that are within the resolution of experiment. Inelastic neutron scattering and Raman scattering suggest a degree of water coupling to the lattice vibrations in the more experimentally accessible partially hydrated UO 2F 2 system, with the symmetric O-U-O stretching vibration shifted approximately 47 cm -1 lower in energy compared to the anhydrous structure. Evidence of water interaction with the uranyl ion is present from a two-peak decomposition of the uranyl stretching vibration in the Raman spectra and anion hydrogen stretching vibrations in the inelastic neutron scattering spectra. A first-order dehydration phase transition temperature is definitively identified to be 125 °C using temperature-dependent Raman scattering.« less

Vibrational Properties of Anhydrous and Partially Hydrated Uranyl Fluoride

DOE PAGES

Anderson, Brian B.; Kirkegaard, Marie C.; Miskowiec, Andrew J.; ...

2017-01-01

Uranyl fluoride (UO 2F 2) is a hygroscopic powder with two main structural phases: an anhydrous crystal and a partially hydrated crystal of the same R¯3m symmetry. The formally closed-shell electron structure of anhydrous UO 2F 2 is amenable to density functional theory calculations. We use density functional perturbation theory (DFPT) to calculate the vibrational frequencies of the anhydrous crystal structure and employ complementary inelastic neutron scattering and temperature-dependent Raman scattering to validate those frequencies. As a model closed-shell actinide, we investigated the effect of LDA, GGA, and non-local vdW functionals as well as the spherically-averaged Hubbard +U correction onmore » vibrational frequencies, electronic structure, and geometry of anhydrous UO 2F 2. A particular choice of U eff = 5.5 eV yields the correct U Oyl bond distance and vibrational frequencies for the characteristic Eg and A1g modes that are within the resolution of experiment. Inelastic neutron scattering and Raman scattering suggest a degree of water coupling to the lattice vibrations in the more experimentally accessible partially hydrated UO 2F 2 system, with the symmetric O-U-O stretching vibration shifted approximately 47 cm -1 lower in energy compared to the anhydrous structure. Evidence of water interaction with the uranyl ion is present from a two-peak decomposition of the uranyl stretching vibration in the Raman spectra and anion hydrogen stretching vibrations in the inelastic neutron scattering spectra. A first-order dehydration phase transition temperature is definitively identified to be 125 °C using temperature-dependent Raman scattering.« less

Quantization of an electromagnetic field in two-dimensional photonic structures based on the scattering matrix formalism ( S-quantization)

NASA Astrophysics Data System (ADS)

Ivanov, K. A.; Nikolaev, V. V.; Gubaydullin, A. R.; Kaliteevski, M. A.

2017-10-01

Based on the scattering matrix formalism, we have developed a method of quantization of an electromagnetic field in two-dimensional photonic nanostructures ( S-quantization in the two-dimensional case). In this method, the fields at the boundaries of the quantization box are expanded into a Fourier series and are related with each other by the scattering matrix of the system, which is the product of matrices describing the propagation of plane waves in empty regions of the quantization box and the scattering matrix of the photonic structure (or an arbitrary inhomogeneity). The quantization condition (similarly to the onedimensional case) is formulated as follows: the eigenvalues of the scattering matrix are equal to unity, which corresponds to the fact that the set of waves that are incident on the structure (components of the expansion into the Fourier series) is equal to the set of waves that travel away from the structure (outgoing waves). The coefficients of the matrix of scattering through the inhomogeneous structure have been calculated using the following procedure: the structure is divided into parallel layers such that the permittivity in each layer varies only along the axis that is perpendicular to the layers. Using the Fourier transform, the Maxwell equations have been written in the form of a matrix that relates the Fourier components of the electric field at the boundaries of neighboring layers. The product of these matrices is the transfer matrix in the basis of the Fourier components of the electric field. Represented in a block form, it is composed by matrices that contain the reflection and transmission coefficients for the Fourier components of the field, which, in turn, constitute the scattering matrix. The developed method considerably simplifies the calculation scheme for the analysis of the behavior of the electromagnetic field in structures with a two-dimensional inhomogeneity. In addition, this method makes it possible to obviate difficulties that arise in the analysis of the Purcell effect because of the divergence of the integral describing the effective volume of the mode in open systems.

Using Lattice Topology Information to Investigate Persistent Scatterers at Facades in Urban Areas

NASA Astrophysics Data System (ADS)

Schack, L.; Soergel, U.

2013-05-01

Modern spaceborne SAR sensors like TerraSAR-X offer ground resolution of up to one meter in range and azimuth direction. Buildings, roads, bridges, and other man-made structures appear in such data often as regular patterns of strong and temporally stable points (Persistent Scatterer, PS). As one step in the process of unveiling what object structure actually causes the PS (i.e., physical nature) we compare those regular structures in SAR data to their correspondences in optical imagery. We use lattices as a common data representation for visible facades. By exploiting the topology information given by the lattices we can complete gaps in the structures which is one step towards the understanding of the complex scattering characteristics of distinct facade objects.

Extinction and Scattering Properties of Soot Emitted from Buoyant Turbulent Diffusion Flames. Appendix F

NASA Technical Reports Server (NTRS)

Krishnan, S. S.; Lin, K.-C.; Faeth, G. M.; Yuan, Z.-G. (Technical Monitor); Urban, D. L. (Technical Monitor); Yuan, Z.-G. (Technical Monitor)

2001-01-01

Extinction and scattering properties at wavelengths of 250-5200 nm were studied for soot emitted from buoyant turbulent diffusion flames in the long residence time regime where soot properties are independent of position in the overfire region and characteristic flame residence times. Flames burning in still air and fueled with gas (acetylene, ethylene, propane, and propylene) and liquid (benzene, toluene, cyclohexane, and n-heptane) hydrocarbon fuels were considered. Measured scattering patterns and ratios of total scattering/absorption cross sections were in good agreement with predictions based on the Rayleigh-Debye-Gans (RDG) scattering approximation in the visible. Measured depolarization ratios were roughly correlated by primary particle size parameter, suggesting potential for completing RDG methodology needed to make soot scattering predictions as well as providing a nonintrusive way to measure primary soot particle diameters. Measurements of dimensionless extinction coefficients were in good agreement with earlier measurements for similar soot populations and were independent of fuel type and wavelength except for reduced values as the near ultraviolet was approached. The ratios of the scattering/absorption refractive index functions were independent of fuel type within experimental uncertainties and were in good agreement with earlier measurements. The refractive index junction for absorption was similarly independent of fuel type but was larger than earlier reflectometry measurements in the infrared. Ratios of total scattering/absorption cross sections were relatively large in the visible and near infrared, with maximum values as large as 0.9 and with values as large as 0.2 at 2000 nm, suggesting greater potential for scattering from soot particles to affect flame radiation properties than previously thought.

Extinction and Scattering Properties of Soot Emitted from Buoyant Turbulent Diffusion Flames. Appendix D

NASA Technical Reports Server (NTRS)

Krishnan, S. S.; Lin, K.-C.; Faeth, G. M.; Urban, D. L. (Technical Monitor); Yuan, Z.-G. (Technical Monitor)

2001-01-01

Extinction and scattering properties at wavelengths of 250-5200 nm were studied for soot emitted from buoyant turbulent diffusion flames in the long residence time regime where soot properties are independent of position in the overfire region and characteristic flame residence times. Flames burning in still air and fueled with gas (acetylene, ethylene, propane, and propylene) and liquid (benzene, toluene, cyclohexane, and n-heptane) hydrocarbon fuels were considered Measured scattering patterns and ratios of total scattering/absorption cross sections were in good agreement with predictions based on the Rayleigh-Debye-Gans (RDG) scattering approximation in the visible. Measured depolarization ratios were roughly correlated by primary particle size parameter, suggesting potential for completing RDG methodology needed to make soot scattering predictions as well as providing a nonintrusive way to measure primary soot particle diameters. Measurements of dimensionless extinction coefficients were in good agreement with earlier measurements for similar soot populations and were independent of fuel type and wavelength except for reduced values as the near ultraviolet was approached. The ratios of the scattering/absorption refractive index functions were independent of fuel type within experimental uncertainties and were in good agreement with earlier measurements. The refractive index function for absorption was similarly independent of fuel type but was larger than earlier reflectometry measurements in the infrared. Ratios of total scattering/absorption cross sections were relatively large in the visible and near infrared, with maximum values as large as 0.9 and with values as large as 0.2 at 2000 nm, suggesting greater potential for scattering from soot particles to affect flame radiation properties than previously thought.

Light scattering by dust and anthropogenic aerosol at a remote site in the Negev desert, Israel

NASA Astrophysics Data System (ADS)

Andreae, Tracey W.; Andreae, Meinrat O.; Ichoku, Charles; Maenhaut, Willy; Cafmeyer, Jan; Karnieli, Arnon; Orlovsky, Leah

2002-01-01

We investigated aerosol optical properties, mass concentration, and chemical composition over a 2 year period at a remote site in the Negev desert, Israel (Sde Boker, 30° 51'N, 34° 47'E, 470 m above sea level). Light-scattering measurements were made at three wavelengths (450, 550, and 700 nm), using an integrating nephelometer, and included the separate determination of the backscatter fraction. Aerosol coarse and fine fractions were collected with stacked filter units; mass concentrations were determined by weighing, and the chemical composition by proton-induced X-ray emission and instrumental neutron activation analysis. The total scattering coefficient at 550 nm showed a median of 66.7 Mm-1(mean value 75.2 Mm-1, standard deviation 41.7 Mm-1) typical of moderately polluted continental air masses. Values of 1000 Mm-1and higher were encountered during severe dust storm events. During the study period, 31 such dust events were detected. In addition to high scattering levels, they were characterized by a sharp drop in the Ångström coefficient (i.e., the spectral dispersion of the light scattering) to values near zero. Mass-scattering efficiencies were obtained by a multivariate regression of the scattering coefficients on dust, sulfate, and residual components. An analysis of the contributions of these components to the total scattering observed showed that anthropogenic aerosol accounted for about 70% of scattering. The rest was dominated by the effect of the large dust events mentioned above and of small dust episodes typically occurring during midafternoon.

Spectroscopic analysis of transition state energy levels - Bending-rotational spectrum and lifetime analysis of H3 quasibound states

NASA Technical Reports Server (NTRS)

Zhao, Meishan; Mladenovic, Mirjana; Truhlar, Donald G.; Schwenke, David W.; Sharafeddin, Omar

1989-01-01

Converged quantum mechanical calculations of scattering matrices and transition probabilities are reported for the reaction of H with H2 with total angular momentum 0, 1, and 4 as functions of total energy in the range 0.85-1.15 eV on an accurate potential energy surface. The resonance structure is illustrated with Argand diagrams. State-to-state reactive collision delay times and lifetimes are presented. For J = 0, 1, and 4, the lowest-energy H3 resonance is at total energies of 0.983, 0.985, and 1.01 eV, respectively, with lifetimes of about 16-17 fs. For J = 1 and 4 there is a higher-energy resonance at 1.10-1.11 eV. For J = 1 the lifetime is about 4 fs and for J = 4 it is about 1 fs.

Magnetic Snell's law and spin-wave fiber with Dzyaloshinskii-Moriya interaction

NASA Astrophysics Data System (ADS)

Yu, Weichao; Lan, Jin; Wu, Ruqian; Xiao, Jiang

2016-10-01

Spin waves are collective excitations propagating in the magnetic medium with ordered magnetizations. Magnonics, utilizing the spin wave (magnon) as an information carrier, is a promising candidate for low-dissipation computation and communication technologies. We discover that, due to the Dzyaloshinskii-Moriya interaction, the scattering behavior of the spin wave at a magnetic domain wall follows a generalized Snell's law, where two magnetic domains work as two different mediums. Similar to optical total reflection that occurs at water-air interfaces, spin waves may experience total reflection at the magnetic domain walls when their incident angle is larger than a critical value. We design a spin-wave fiber using a magnetic domain structure with two domain walls, and demonstrate that such a spin-wave fiber can transmit spin waves over long distances by total internal reflections, in analogy to an optical fiber.

Evaluation of simulation-based scatter correction for 3-D PET cardiac imaging

NASA Astrophysics Data System (ADS)

Watson, C. C.; Newport, D.; Casey, M. E.; deKemp, R. A.; Beanlands, R. S.; Schmand, M.

1997-02-01

Quantitative imaging of the human thorax poses one of the most difficult challenges for three-dimensional (3-D) (septaless) positron emission tomography (PET), due to the strong attenuation of the annihilation radiation and the large contribution of scattered photons to the data. In [/sup 18/F] fluorodeoxyglucose (FDG) studies of the heart with the patient's arms in the field of view, the contribution of scattered events can exceed 50% of the total detected coincidences. Accurate correction for this scatter component is necessary for meaningful quantitative image analysis and tracer kinetic modeling. For this reason, the authors have implemented a single-scatter simulation technique for scatter correction in positron volume imaging. Here, they describe this algorithm and present scatter correction results from human and chest phantom studies.

Calculation of far-field scattering from nonspherical particles using a geometrical optics approach

NASA Technical Reports Server (NTRS)

Hovenac, Edward A.

1991-01-01

A numerical method was developed using geometrical optics to predict far-field optical scattering from particles that are symmetric about the optic axis. The diffractive component of scattering is calculated and combined with the reflective and refractive components to give the total scattering pattern. The phase terms of the scattered light are calculated as well. Verification of the method was achieved by assuming a spherical particle and comparing the results to Mie scattering theory. Agreement with the Mie theory was excellent in the forward-scattering direction. However, small-amplitude oscillations near the rainbow regions were not observed using the numerical method. Numerical data from spheroidal particles and hemispherical particles are also presented. The use of hemispherical particles as a calibration standard for intensity-type optical particle-sizing instruments is discussed.

Interpretation of small-angle diffraction experiments on opal-like photonic crystals

NASA Astrophysics Data System (ADS)

Marlow, F.; Muldarisnur, M.; Sharifi, P.; Zabel, H.

2011-08-01

Comprehensive structural information on artificial opals involving the deviations from the strongly dominating face-centered cubic structure is still missing. Recent structure investigations with neutrons and synchrotron sources have shown a high degree of order but also a number of unexpected scattering features. Here, we point out that the exclusion of the allowed 002-type diffraction peaks by a small atomic form factor is not obvious and that surface scattering has to be included as a possible source for the diffraction peaks. Our neutron diffraction data indicate that surface scattering is the main reason for the smallest-angle peaks in the diffraction patterns.

Quark-hadron duality in lepton scattering off nucleons

NASA Astrophysics Data System (ADS)

Graczyk, Krzysztof M.

2010-03-01

Quark-hadron (QH) duality in lepton scattering off nucleons is studied with the resonance quark model. It is shown that in the case of neutrino scattering off an isoscalar target the duality is simultaneously observed for charged and neutral currents xF1νN, F2νN, and xF3νN weak structure functions. We demonstrate that the QH duality can be a useful property for modeling structure functions in the so-called resonance region. As an example it is shown that combining relativistic quark model predictions with duality arguments allows a construction of the inclusive resonance F2ep structure function.

Coupled NASTRAN/boundary element formulation for acoustic scattering

NASA Technical Reports Server (NTRS)

Everstine, Gordon C.; Henderson, Francis M.; Schuetz, Luise S.

1987-01-01

A coupled finite element/boundary element capability is described for calculating the sound pressure field scattered by an arbitrary submerged 3-D elastic structure. Structural and fluid impedances are calculated with no approximation other than discretization. The surface fluid pressures and normal velocities are first calculated by coupling a NASTRAN finite element model of the structure with a discretized form of the Helmholtz surface integral equation for the exterior field. Far field pressures are then evaluated from the surface solution using the Helmholtz exterior integral equation. The overall approach is illustrated and validated using a known analytic solution for scattering from submerged spherical shells.

Insights from soft X-rays: the chlorine and sulfur sub-structures of a CK2alpha/DRB complex.

PubMed

Raaf, Jennifer; Issinger, Olaf-Georg; Niefind, Karsten

2008-09-01

The diffraction pattern of a protein crystal is normally a product of the interference of electromagnetic waves scattered by electrons of the crystalline sample. The diffraction pattern undergoes systematic changes in case additionally X-ray absorption occurs, meaning if the wavelength of the primary X-ray beam is relatively close to the absorption edge of selected elements of the sample. The resulting effects are summarized as "anomalous dispersion" and can be always observed with "soft" X-rays (wavelength around 2 A) since they match the absorption edges of sulfur and chlorine. A particularly useful application of this phenomenon is the experimental detection of the sub-structures of the anomalous scatterers in protein crystals. We demonstrate this here with a crystal of a C-terminally truncated variant of human CK2alpha to which two molecules of the inhibitor 5,6-dichloro-1-beta-D-ribo-furanosyl-benzimidazole (DRB) are bound. The structure of this co-crystal has been solved recently. For this study we measured an additional diffraction data set at a wavelength of 2 A which showed strong anomalous dispersion effects. On the basis of these effects we detected all sulfur atoms of the protein, the two liganded DRB molecules and a total of 16 additional chloride ions some of them emerging at positions filled with water molecules in previous structure determinations. A number of chloride ions are bound to structural and functional important locations fitting to the constitutive activity and the acidophilic substrate specificity of the enzyme.

Scattering of an electronic wave packet by a one-dimensional electron-phonon-coupled structure

NASA Astrophysics Data System (ADS)

Brockt, C.; Jeckelmann, E.

2017-02-01

We investigate the scattering of an electron by phonons in a small structure between two one-dimensional tight-binding leads. This model mimics the quantum electron transport through atomic wires or molecular junctions coupled to metallic leads. The electron-phonon-coupled structure is represented by the Holstein model. We observe permanent energy transfer from the electron to the phonon system (dissipation), transient self-trapping of the electron in the electron-phonon-coupled structure (due to polaron formation and multiple reflections at the structure edges), and transmission resonances that depend strongly on the strength of the electron-phonon coupling and the adiabaticity ratio. A recently developed TEBD algorithm, optimized for bosonic degrees of freedom, is used to simulate the quantum dynamics of a wave packet launched against the electron-phonon-coupled structure. Exact results are calculated for a single electron-phonon site using scattering theory and analytical approximations are obtained for limiting cases.

Chemical complexity induced local structural distortion in NiCoFeMnCr high-entropy alloy

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

Zhang, Fuxiang; Tong, Yang; Jin, Ke

In order to study chemical complexity-induced lattice distortion in high-entropy alloys, the static Debye–Waller (D-W) factor of NiCoFeMnCr solid solution alloy is measured with low temperature neutron diffraction, ambient X-ray diffraction, and total scattering methods. Here, the static atomic displacement parameter of the multi-element component alloy at 0 K is 0.035–0.041 Å, which is obvious larger than that of element Ni (~0 Å). The atomic pair distance between individual atoms in the alloy investigated with extended X-ray absorption fine structure (EXAFS) measurements indicates that Mn has a slightly larger bond distance (~0.4%) with neighbor atoms than that of others.

Chemical complexity induced local structural distortion in NiCoFeMnCr high-entropy alloy

DOE PAGES

Zhang, Fuxiang; Tong, Yang; Jin, Ke; ...

2018-06-16

In order to study chemical complexity-induced lattice distortion in high-entropy alloys, the static Debye–Waller (D-W) factor of NiCoFeMnCr solid solution alloy is measured with low temperature neutron diffraction, ambient X-ray diffraction, and total scattering methods. Here, the static atomic displacement parameter of the multi-element component alloy at 0 K is 0.035–0.041 Å, which is obvious larger than that of element Ni (~0 Å). The atomic pair distance between individual atoms in the alloy investigated with extended X-ray absorption fine structure (EXAFS) measurements indicates that Mn has a slightly larger bond distance (~0.4%) with neighbor atoms than that of others.

Structural evolution of photocrosslinked silk fibroin and silk fibroin-based hybrid hydrogels: A small angle and ultra-small angle scattering investigation.

PubMed

Whittaker, Jasmin L; Balu, Rajkamal; Knott, Robert; de Campo, Liliana; Mata, Jitendra P; Rehm, Christine; Hill, Anita J; Dutta, Naba K; Roy Choudhury, Namita

2018-07-15

Regenerated Bombyx mori silk fibroin (RSF) is a widely recognized protein for biomedical applications; however, its hierarchical gel structure is poorly understood. In this paper, the hierarchical structure of photocrosslinked RSF and RSF-based hybrid hydrogel systems: (i) RSF/Rec1-resilin and (ii) RSF/poly(N-vinylcaprolactam (PVCL) is reported for the first time using small-angle scattering (SAS) techniques. The structure of RSF in dilute to concentrated solution to fabricated hydrogels were characterized using small angle X-ray scattering (SAXS), small angle neutron scattering (SANS) and ultra-small angle neutron scattering (USANS) techniques. The RSF hydrogel exhibited three distinctive structural characteristics: (i) a Porod region in the length scale of 2 to 3nm due to hydrophobic domains (containing β-sheets) which exhibits sharp interfaces with the amorphous matrix of the hydrogel and the solvent, (ii) a Guinier region in the length scale of 4 to 20nm due to hydrophilic domains (containing turns and random coil), and (iii) a Porod-like region in the length scale of few micrometers due to water pores/channels exhibiting fractal-like characteristics. Addition of Rec1-resilin or PVCL to RSF and subsequent crosslinking systematically increased the nanoscale size of hydrophobic and hydrophilic domains, whereas decreased the homogeneity of pore size distribution in the microscale. The presented results have implications on the fundamental understanding of the structure-property relationship of RSF-based hydrogels. Copyright © 2018. Published by Elsevier B.V.

Surface wave scattering from sharp lateral discontinuities

NASA Astrophysics Data System (ADS)

Pollitz, Fred F.

1994-11-01

The problem of surface wave scattering is re-explored, with quasi-degenerate normal mode coupling as the starting point. For coupling among specified spheroidal and toroidal mode dispersion branches, a set of coupled wave equations is derived in the frequency domain for first-arriving Rayleigh and Love waves. The solutions to these coupled wave equations using linear perturbation theory are surface integrals over the unit sphere covering the lateral distribution of perturbations in Earth structure. For isotropic structural perturbations and surface topographic perturbations, these solutions agree with the Born scattering theory previously obtained by Snieder and Romanowicz. By transforming these surface integrals into line integrals along the boundaries of the heterogeneous regions in the case of sharp discontinuities, and by using uniformly valid Green's functions, it is possible to extend the solution to the case of multiple scattering interactions. The proposed method allows the relatively rapid calculation of exact second order scattered wavefield potentials for scattering by sharp discontinuities, and it has many advantages not realized in earlier treatments. It employs a spherical Earth geometry, uses no far field approximation, and implicitly contains backward as well as forward scattering. Comparisons of asymptotic scattering and an exact solution with single scattering and multiple scattering integral formulations show that the phase perturbation predicted by geometrical optics breaks down for scatterers less than about six wavelengths in diameter, and second-order scattering predicts well both the amplitude and phase pattern of the exact wavefield for sufficiently small scatterers, less than about three wavelengths in diameter for anomalies of a few percent.

A study on scattering correction for γ-photon 3D imaging test method

NASA Astrophysics Data System (ADS)

Xiao, Hui; Zhao, Min; Liu, Jiantang; Chen, Hao

2018-03-01

A pair of 511KeV γ-photons is generated during a positron annihilation. Their directions differ by 180°. The moving path and energy information can be utilized to form the 3D imaging test method in industrial domain. However, the scattered γ-photons are the major factors influencing the imaging precision of the test method. This study proposes a γ-photon single scattering correction method from the perspective of spatial geometry. The method first determines possible scattering points when the scattered γ-photon pair hits the detector pair. The range of scattering angle can then be calculated according to the energy window. Finally, the number of scattered γ-photons denotes the attenuation of the total scattered γ-photons along its moving path. The corrected γ-photons are obtained by deducting the scattered γ-photons from the original ones. Two experiments are conducted to verify the effectiveness of the proposed scattering correction method. The results concluded that the proposed scattering correction method can efficiently correct scattered γ-photons and improve the test accuracy.

Nondestructive prediction of pork freshness parameters using multispectral scattering images

NASA Astrophysics Data System (ADS)

Tang, Xiuying; Li, Cuiling; Peng, Yankun; Chao, Kuanglin; Wang, Mingwu

2012-05-01

Optical technology is an important and immerging technology for non-destructive and rapid detection of pork freshness. This paper studied on the possibility of using multispectral imaging technique and scattering characteristics to predict the freshness parameters of pork meat. The pork freshness parameters selected for prediction included total volatile basic nitrogen (TVB-N), color parameters (L *, a *, b *), and pH value. Multispectral scattering images were obtained from pork sample surface by a multispectral imaging system developed by ourselves; they were acquired at the selected narrow wavebands whose center wavelengths were 517,550, 560, 580, 600, 760, 810 and 910nm. In order to extract scattering characteristics from multispectral images at multiple wavelengths, a Lorentzian distribution (LD) function with four parameters (a: scattering asymptotic value; b: scattering peak; c: scattering width; d: scattering slope) was used to fit the scattering curves at the selected wavelengths. The results show that the multispectral imaging technique combined with scattering characteristics is promising for predicting the freshness parameters of pork meat.

New insight into the properties of proton conducting oxides from neutron total scattering

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

Proffen, Thomas E; Kim, Hyunjeong; Malavasi, Lorenzo

In recent years there has been a growing interest in searching for new proton conducting materials that could be successfully used in medium temperature solid oxide fuel cells (SOFC). In particular, proton conducting oxides have been the subject of a massive research activity. Among the most promising oxide the acceptor doped cerates appears to be those most appealing in view of practical applications. A relevant aspect of these materials is the investigation of the local distortion of the structure arising from water incorporation. This kind of study is of great help in defining how the structure changes in order tomore » accommodate the proton which is usually thought to enter the structure in form of hydroxyl group where the oxygen vacancy results from the acceptor doping on the Ce site. Atomistic simulation work confirmed that the preferential location of dopant ions is on the Ce site. To the best of our knowledge the only experimental work addressing the role of dopant and water incorporation on the local structure of V-doped cerates is a X-ray absorption spectroscopy (XAS) work carried out by Longo and coworkers at the Y K-edge. The main conclusion of that work was the observation that Y-doping induces a distortion of the parent BaCe0{sub 3} structure resulting in a significantly distorted Y local environment. However, local structure information derived from XAS study does not provide a direct structural information and depends strongly upon the model used to calcualte theoretical {chi}(k) which is not unique. Moreover, the XAS analysis usually provide significant information only up to the second shell. As a consequence, a more reliable and useful technique to investigate the local arrangement in these proton conducting oxides appears to be the Pair Distribution Function (PDF) analysis derived from total neutron scattering measurements. In the present work we investigated the pure BaCeO{sub 3} and the acceptor doped BaCe{sub 0.90}Y{sub 0.10}O{sub 2.85} compounds. In both cases the samples have been measured at room temperature and after being exposed to dry and wet air (humidification attained through bubbling air in D{sub 2}O). Aim of this work is to look at the effect of Y-doping and water doping on the local structure of the above mentioned samples.« less

In vivo imaging of tissue scattering parameter and cerebral hemodynamics in rat brain with a digital red-green-blue camera

NASA Astrophysics Data System (ADS)

Nishidate, Izumi; Mustari, Afrina; Kawauchi, Satoko; Sato, Shunichi; Sato, Manabu; Kokubo, Yasuaki

2017-02-01

We propose a rapid imaging method to monitor the spatial distribution of total hemoglobin concentration (CHbT), the tissue oxygen saturation, and the scattering power b in the expression of μs'=aλ-b as the scattering parameters in cerebral cortex using a digital red-green-blue camera. In the method, the RGB-values are converted into the tristimulus values in CIEXYZ color space which is compatible with the common RGB working spaces. Monte Carlo simulation (MCS) for light transport in tissue is used to specify a relation among the tristimulus XYZ-values and the concentration of oxygenated hemoglobin, that of deoxygenated hemoglobin, and the scattering power b. In the present study, we performed sequential recordings of RGB images of in vivo exposed rat brain during the cortical spreading depolarization evoked by the topical application of KCl. Changes in the total hemoglobin concentration and the tissue oxygen saturation imply the temporary change in cerebral blood flow during CSD. Decrease in the scattering power b was observed before the profound increase in the total hemoglobin concentration, which is indicative of the reversible morphological changes in brain tissue during CSD. The results in this study indicate potential of the method to evaluate the pathophysiological conditions in brain tissue with a digital red-green-blue camera.

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

NASA Astrophysics Data System (ADS)

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

2017-07-01

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

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

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

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

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

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

DOE PAGES

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

2017-07-31

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

A high rigor temperature, not sarcomere length, determines light scattering properties and muscle colour in beef M. sternomandibularis meat and muscle fibres.

PubMed

Hughes, J; Clarke, F; Purslow, P; Warner, R

2018-05-18

Beef meat colour is impacted by both myoglobin status and the light scattering properties of the muscle, and the specific causative scattering elements of the latter are still unknown. We hypothesize that stretching muscles during rigor will generate a structure which favours light scattering, by increasing the length of the I-band (longer sarcomeres) and that a high rigor temperature will cause protein reconfiguration, changing the muscle structure and promoting light scattering. Muscle fibre fragments were isolated from four beef M. sternomandibularis and subjected to stretching (plus, minus) and three incubation temperatures (5, 15, 35 °C). Reflectance confocal laser scanning microscopy (rCLSM) revealed sarcomere stretching alone was not solely responsible for light scattering development. A high rigor temperature (35 °C) was more favourable for light scattering. Stretching and taking muscle into rigor at 35 °C promoted transverse shrinkage of muscle fibres and increased light scattering and could be applied post-mortem (PM) to reduce the occurrence of problematic dark meat. Crown Copyright © 2018. Published by Elsevier Ltd. All rights reserved.

Nondestructive Method For Measuring The Scattering Coefficient Of Bulk Material

NASA Astrophysics Data System (ADS)

Groenhuis, R. A. J.; ten Bosch, J. J.

1981-05-01

During demineralization and remineralization of dental enamel its structure changes resulting in a change of the absorption and scattering coefficients of the enamel. By measuring these coefficients during demineralization and remineralization these processes can be monitored in a non-destructive way. For this purpose an experimental arrangement was made: a fibre illuminates a spot on the sample with monochromatic light with a wave-length between 400 nm and 700 nm; a photomultiplier measures the luminance of the light back-scattered by the sample as a function of the distance from the measuring snot to the spot of illumination. In a Monte Carlo-model this luminance is simulated using the same geometry given the scattering and absorption coefficients in a sample. Then the scattering and absorption coefficients in the sample are determined by selecting the theoretical curve fitting the experimental one. Scattering coefficients below 10 mm-1 and absorption coefficients obtained with this method on calibration samples correspond well with those obtained with another method. Scattering coefficients above 10 mm-1 (paper samples) were measured ton low. This perhaps is caused by the anisotropic structure of paper sheets. The method is very suitable to measure the scattering and absorption coefficients of bulk materials.

Polarization of the Radiation Reflected and Transmitted by the Earth's Atmosphere.

PubMed

Plass, G N; Kattawar, G W

1970-05-01

The polarization of the reflected and transmitted radiation is calculated for a realistic model of the earth's atmosphere at five wavelengths ranging from 0.27 micro to 1.67 micro. The single scattering matrix is calculated from the Mie theory for an aerosol size distribution appropriate for our atmosphere. The solar photons are followed through multiple collisions with the aerosols and the Rayleigh scattering centers in the atmosphere by a Monte Carlo method. The aerosol number density as well as the ratio of aerosol to Rayleigh scattering varies with height. The proportion of aerosol to Rayleigh scattering is adjusted for each wavelength; ozone absorption is included where appropriate. The polarization is presented as a function of the zenith and azimuthal angle for six values of the earth's albedo, two values of the solar zenith angle, and four values of the total aerosol concentration. In general the polarization decreases as the wavelength increases and as the total aerosol concentration increases (because of the increasing importance of aerosol scattering). In most situations the polarization is much more sensitive than the radiance to changes in the parameters which specify the atmosphere.

Resonant scattering of light from a glass/Ag/MgF2/air system with rough interfaces and supporting guided modes in attenuated total reflection.

PubMed

Ramírez-Duverger, Aldo S; Gaspar-Armenta, Jorge A; García-Llamas, Raúl

2003-08-01

We report experimental results of the resonant scattering of light from a prism-glass/Ag/MgF2/air system with use of the attenuated total reflection technique for p and s polarized light. Two MgF2 film thicknesses were used. The system with the thinner dielectric layer supports two transverse magnetic (TM) and two transverse electric (TE) guided modes at a wavelength of 632.8 nm, and the system with the thicker dielectric layer supports three TM and three TE guided modes. In both cases we found dips in the specular reflection as a function of incident angle that is due to excitation of guided modes in the MgF2 film. The scattered light shows peaks at angles corresponding to the measured excitation of the guided modes. These peaks are due to single-order scattering and occur for any angle of the incident light. All features in the scattering response are enhanced in resonance conditions, and the efficiency of injecting light into the guide is reduced.

Label-free and live cell imaging by interferometric scattering microscopy.

PubMed

Park, Jin-Sung; Lee, Il-Buem; Moon, Hyeon-Min; Joo, Jong-Hyeon; Kim, Kyoung-Hoon; Hong, Seok-Cheol; Cho, Minhaeng

2018-03-14

Despite recent remarkable advances in microscopic techniques, it still remains very challenging to directly observe the complex structure of cytoplasmic organelles in live cells without a fluorescent label. Here we report label-free and live-cell imaging of mammalian cell, Escherischia coli , and yeast, using interferometric scattering microscopy, which reveals the underlying structures of a variety of cytoplasmic organelles as well as the underside structure of the cells. The contact areas of the cells attached onto a glass substrate, e.g. , focal adhesions and filopodia, are clearly discernible. We also found a variety of fringe-like features in the cytoplasmic area, which may reflect the folded structures of cytoplasmic organelles. We thus anticipate that the label-free interferometric scattering microscopy can be used as a powerful tool to shed interferometric light on in vivo structures and dynamics of various intracellular phenomena.

X-Ray Form Factor, Attenuation and Scattering Tables

National Institute of Standards and Technology Data Gateway

SRD 66 X-Ray Form Factor, Attenuation and Scattering Tables (Web, free access)   This database collects tables and graphs of the form factors, the photoabsorption cross section, and the total attenuation coefficient for any element (Z <= 92).

Light scattering by a nematic liquid crystal droplet: Wentzel–Kramers–Brillouin approximation

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

Loiko, V. A., E-mail: loiko@dragon.bas-net.by; Konkolovich, A. V.; Miskevich, A. A.

2016-01-15

Light scattering by an optically anisotropic liquid crystal (LC) droplet of a nematic in an isotropic polymer matrix is considered in the Wentzel–Kramers–Brillouin (WKB) approximation. General relations are obtained for elements of the amplitude matrix of light scattering by a droplet of arbitrary shape and for the structure of the director field. Analytic expressions for the amplitude matrices are derived for spherical LC droplets with a uniformly oriented structure of local optical axes for strictly forward and strictly backward scattering. The efficiency factors of extinction and backward scattering for a spherical nonabsorbing LC droplet depending on the LC optical anisotropy,more » refractive index of the polymer, illumination conditions, and orientation of the optical axis of the droplet are analyzed. Verification of the obtained solutions has been performed.« less

Total cross sections of electron scattering by molecules NF3, PF3, N(CH3)3, P(CH3)3, NH(CH3)2, PH(CH3)2, NH2CH3 and PH2CH3 at 30-5000 eV

NASA Astrophysics Data System (ADS)

Shi, D. H.; Sun, J. F.; Zhu, Z. L.; Liu, Y. F.

2010-04-01

Total cross sections of electron scattering by eight molecules NF3, PF3, N(CH3)3, P(CH3)3, NH(CH3)2, PH(CH3)2, NH2CH3 and PH2CH3, which have some structural similarities, are calculated at the Hartree-Fork level by the modified additivity rule approach [D.H. Shi, J.F. Sun, Z.L. Zhu, H. Ma, Y.F. Liu, Eur. Phys. J. D 45, 253 (2007); D.H. Shi, J.F. Sun, Y.F. Liu, Z.L. Zhu, X.D. Yang, Chin. Opt. Lett. 4, 192 (2006)]. The modified additivity rule approach takes into considerations that the contributions of the geometric shielding effect vary as the energy of incident electrons, the dimension of target molecule, the number of electrons in the molecule and the number of atoms constituting the molecule. The present investigations cover the impact energy range from 30 to 5000 eV. The quantitative total cross sections are compared with those obtained by experiments and other theories. Excellent agreement is observed even at energies of several tens of eV. It shows that the modified additivity rule approach is applicable to carry out the total cross section calculations of electron scattering by these molecules at intermediate and high energies, in particular over the energy range above 80 eV or so. It proves that the microscopic molecular properties, such as the geometrical size of the target and the number of atoms constituting the molecule, are of crucial importance in the TCS calculations. The new results for PH(CH3)2 and PH2CH3 are also presented at energies from 30 to 5000 eV, although no experimental and theoretical data are available for comparison. In the present calculations, the atoms are still represented by the spherical complex optical potential, which is composed of static, exchange, polarization and absorption terms.

Fatigue and damage tolerance scatter models

NASA Astrophysics Data System (ADS)

Raikher, Veniamin L.

1994-09-01

Effective Total Fatigue Life and Crack Growth Scatter Models are proposed. The first of them is based on the power form of the Wohler curve, fatigue scatter dependence on mean life value, cycle stress ratio influence on fatigue scatter, and validated description of the mean stress influence on the mean fatigue life. The second uses in addition are fracture mechanics approach, assumption of initial damage existence, and Paris equation. Simple formulas are derived for configurations of models. A preliminary identification of the parameters of the models is fulfilled on the basis of experimental data. Some new and important results for fatigue and crack growth scatter characteristics are obtained.

BIM-Sim: Interactive Simulation of Broadband Imaging Using Mie Theory

PubMed Central

Berisha, Sebastian; van Dijk, Thomas; Bhargava, Rohit; Carney, P. Scott; Mayerich, David

2017-01-01

Understanding the structure of a scattered electromagnetic (EM) field is critical to improving the imaging process. Mechanisms such as diffraction, scattering, and interference affect an image, limiting the resolution, and potentially introducing artifacts. Simulation and visualization of scattered fields thus plays an important role in imaging science. However, EM fields are high-dimensional, making them time-consuming to simulate, and difficult to visualize. In this paper, we present a framework for interactively computing and visualizing EM fields scattered by micro and nano-particles. Our software uses graphics hardware for evaluating the field both inside and outside of these particles. We then use Monte-Carlo sampling to reconstruct and visualize the three-dimensional structure of the field, spectral profiles at individual points, the structure of the field at the surface of the particle, and the resulting image produced by an optical system. PMID:29170738

Studying the local structure of liquid in chloro- and alkyl-substituted benzene derivatives via the molecular scattering of light

NASA Astrophysics Data System (ADS)

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.

Fano resonance in anodic aluminum oxide based photonic crystals.

PubMed

Shang, Guo Liang; Fei, Guang Tao; Zhang, Yao; Yan, Peng; Xu, Shao Hui; Ouyang, Hao Miao; Zhang, Li De

2014-01-08

Anodic aluminum oxide based photonic crystals with periodic porous structure have been prepared using voltage compensation method. The as-prepared sample showed an ultra-narrow photonic bandgap. Asymmetric line-shape profiles of the photonic bandgaps have been observed, which is attributed to Fano resonance between the photonic bandgap state of photonic crystal and continuum scattering state of porous structure. And the exhibited Fano resonance shows more clearly when the sample is saturated ethanol gas than air-filled. Further theoretical analysis by transfer matrix method verified these results. These findings provide a better understanding on the nature of photonic bandgaps of photonic crystals made up of porous materials, in which the porous structures not only exist as layers of effective-refractive-index material providing Bragg scattering, but also provide a continuum light scattering state to interact with Bragg scattering state to show an asymmetric line-shape profile.

Experimental Report: ORNL Proposal ID IPTS 8937

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

Mirmelstein, A.

2014-02-03

Neutron scattering experiment was performed using fine-resolution Fermi chopper spectrometer “SEQUOIA” installed at the Spallation Neutron Source, ORNL. Although this spectrometer is designed to measure inelastic neutron scattering spectra, during experiments a signal of elastic scattering is also recorded. The coherent nuclear component of this elastic scattering provides Bragg diffraction pattern of a sample, i.e., CeNi single crystal in our case. Therefore, it is possible to follow the CeNi structural variations as a function of pressure and to register structural phase transition. Measurements were performed at the temperature of 15 K under pressure of zero (ambient pressure at 15 K),more » 400, 800, and 2200 bars.« less

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

PubMed

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

2015-07-01

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

Incoherent Diffractive Imaging via Intensity Correlations of Hard X Rays

NASA Astrophysics Data System (ADS)

Classen, Anton; Ayyer, Kartik; Chapman, Henry N.; Röhlsberger, Ralf; von Zanthier, Joachim

2017-08-01

Established x-ray diffraction methods allow for high-resolution structure determination of crystals, crystallized protein structures, or even single molecules. While these techniques rely on coherent scattering, incoherent processes like fluorescence emission—often the predominant scattering mechanism—are generally considered detrimental for imaging applications. Here, we show that intensity correlations of incoherently scattered x-ray radiation can be used to image the full 3D arrangement of the scattering atoms with significantly higher resolution compared to conventional coherent diffraction imaging and crystallography, including additional three-dimensional information in Fourier space for a single sample orientation. We present a number of properties of incoherent diffractive imaging that are conceptually superior to those of coherent methods.

Diffraction scattering computed tomography: a window into the structures of complex nanomaterials

PubMed Central

Birkbak, M. E.; Leemreize, H.; Frølich, S.; Stock, S. R.

2015-01-01

Modern functional nanomaterials and devices are increasingly composed of multiple phases arranged in three dimensions over several length scales. Therefore there is a pressing demand for improved methods for structural characterization of such complex materials. An excellent emerging technique that addresses this problem is diffraction/scattering computed tomography (DSCT). DSCT combines the merits of diffraction and/or small angle scattering with computed tomography to allow imaging the interior of materials based on the diffraction or small angle scattering signals. This allows, e.g., one to distinguish the distributions of polymorphs in complex mixtures. Here we review this technique and give examples of how it can shed light on modern nanoscale materials. PMID:26505175

Backscattering from a Gaussian distributed, perfectly conducting, rough surface

NASA Technical Reports Server (NTRS)

Brown, G. S.

1977-01-01

The problem of scattering by random surfaces possessing many scales of roughness is analyzed. The approach is applicable to bistatic scattering from dielectric surfaces, however, this specific analysis is restricted to backscattering from a perfectly conducting surface in order to more clearly illustrate the method. The surface is assumed to be Gaussian distributed so that the surface height can be split into large and small scale components, relative to the electromagnetic wavelength. A first order perturbation approach is employed wherein the scattering solution for the large scale structure is perturbed by the small scale diffraction effects. The scattering from the large scale structure is treated via geometrical optics techniques. The effect of the large scale surface structure is shown to be equivalent to a convolution in k-space of the height spectrum with the following: the shadowing function, a polarization and surface slope dependent function, and a Gaussian factor resulting from the unperturbed geometrical optics solution. This solution provides a continuous transition between the near normal incidence geometrical optics and wide angle Bragg scattering results.

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

NASA Astrophysics Data System (ADS)

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

2010-10-01

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

Joint small-angle X-ray and neutron scattering data analysis of asymmetric lipid vesicles

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

Eicher, Barbara; Heberle, Frederick A.; Marquardt, Drew T.

2017-02-28

Low- and high-resolution models describing the internal transbilayer structure of asymmetric lipid vesicles have been developed. These models can be used for the joint analysis of small-angle neutron and X-ray scattering data. The models describe the underlying scattering length density/electron density profiles either in terms of slabs or through the so-called scattering density profile, previously applied to symmetric lipid vesicles. Both models yield structural details of asymmetric membranes, such as the individual area per lipid, and the hydrocarbon thickness of the inner and outer bilayer leaflets. The scattering density profile model, however, comes at a cost of increased computational effortmore » but results in greater structural resolution, showing a slightly lower packing of lipids in the outer bilayer leaflet of ~120 nm diameter palmitoyloleoyl phosphatidylcholine (POPC) vesicles, compared to the inner leaflet. Here, analysis of asymmetric dipalmitoyl phosphatidylcholine/POPC vesicles did not reveal evidence of transbilayer coupling between the inner and outer leaflets at 323 K, i.e.above the melting transition temperature of the two lipids.« less

Intrinsic and scattering attenuation of high-frequency S-waves in the central part of the External Dinarides

NASA Astrophysics Data System (ADS)

Majstorović, Josipa; Belinić, Tena; Namjesnik, Dalija; Dasović, Iva; Herak, Davorka; Herak, Marijan

2017-09-01

The central part of the External Dinarides (CED) is a geologically and tectonically complex region formed in the collision between the Adriatic microplate and the European plate. In this study, the contributions of intrinsic and scattering attenuation ( Q i - 1 and Q sc - 1 , respectively) to the total S-wave attenuation were calculated for the first time. The multiple lapse-time window analysis (MLTWA method), based on the assumptions of multiple isotropic scattering in a homogeneous medium with uniformly distributed scatterers, was applied to seismograms of 450 earthquakes recorded at six seismic stations. Selected events have hypocentral distances between 40 and 90 km with local magnitudes between 1.5 and 4.7. The analysis was performed over 11 frequency bands with central frequencies between 1.5 and 16 Hz. Results show that the seismic albedo of the studied area is less than 0.5 and Q i - 1 > Q sc - 1 at all central frequencies and for all stations. These imply that the intrinsic attenuation dominates over scattering attenuation in the whole study area. Calculated total S-wave and expected coda wave attenuation for CED are in a very good agreement with the ones measured in previous studies using the coda normalization and the coda-Q methods. All estimated attenuation factors decrease with increasing frequency. The intrinsic attenuation for CED is among the highest observed elsewhere, which could be due to the highly fractured and fluid-filled carbonates in the upper crust. The scattering and the total S-wave attenuation for CED are close to the average values obtained in other studies performed worldwide. In particular, good agreement of frequency dependence of total attenuation in CED and in the regions that contributed most strong-motion records for ground motion prediction equations used in PSHA in Croatia indicates that those were well chosen and applicable to this area as far as their attenuation properties are concerned.

A daytime measurement of the lunar contribution to the night sky brightness in LSST's ugrizy bands-initial results

NASA Astrophysics Data System (ADS)

Coughlin, Michael; Stubbs, Christopher; Claver, Chuck

2016-06-01

We report measurements from which we determine the spatial structure of the lunar contribution to night sky brightness, taken at the LSST site on Cerro Pachon in Chile. We use an array of six photodiodes with filters that approximate the Large Synoptic Survey Telescope's u, g, r, i, z, and y bands. We use the sun as a proxy for the moon, and measure sky brightness as a function of zenith angle of the point on sky, zenith angle of the sun, and angular distance between the sun and the point on sky. We make a correction for the difference between the illumination spectrum of the sun and the moon. Since scattered sunlight totally dominates the daytime sky brightness, this technique allows us to cleanly determine the contribution to the (cloudless) night sky from backscattered moonlight, without contamination from other sources of night sky brightness. We estimate our uncertainty in the relative lunar night sky brightness vs. zenith and lunar angle to be between 0.3-0.7 mags depending on the passband. This information is useful in planning the optimal execution of the LSST survey, and perhaps for other astronomical observations as well. Although our primary objective is to map out the angular structure and spectrum of the scattered light from the atmosphere and particulates, we also make an estimate of the expected number of scattered lunar photons per pixel per second in LSST, and find values that are in overall agreement with previous estimates.

Spin structure of the 'Forward' nucleon charge-exchange reaction n + p {yields} p + n and the deuteron charge-exchange breakup

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

Lyuboshitz, V. L., E-mail: Valery.Lyuboshitz@jinr.ru; Lyuboshitz, V. V.

2011-02-15

The structure of the nucleon charge-exchange process n + p {yields} p + n is investigated basing on the isotopic invariance of the nucleon-nucleon scattering. Using the operator of permutation of the spin projections of the neutron and proton, the connection between the spin matrices, describing the amplitude of the nucleon charge-exchange process at zero angle and the amplitude of the elastic scattering of the neutron on the proton in the 'backward' direction, has been considered. Due to the optical theorem, the spin-independent part of the differential cross section of the process n + p {yields} p + n atmore » zero angle for unpolarized particles is expressed through the difference of total cross sections of unpolarized proton-proton and neutron-proton scattering. Meantime, the spin-dependent part of this cross section is proportional to the differential cross section of the deuteron charge-exchange breakup d + p {yields} (pp) + n at zero angle at the deuteron momentum k{sub d} = 2 k{sub n} (k{sub n} is the initial neutron momentum). Analysis shows that, assuming the real part of the spin-independent term of the 'forward' amplitude of the process n + p {yields} p + n to be smaller or of the same order as compared with the imaginary part, in the wide range of neutron laboratory momenta k{sub n} > 700 MeV/c the main contribution into the differential cross section of the process n + p {yields} p + n at zero angle is provided namely by the spin-dependent term.« less

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

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

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

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

Mie and debye scattering in dusty plasmas

PubMed

Guerra; Mendonca

2000-07-01

We calculate the total field scattered by a charged sphere immersed in a plasma using a unified treatment that includes the usual Mie scattering and the scattering by the Debye cloud around the particle. This is accomplished by use of the Dyadic Green function to determine the field radiated by the electrons of the Debye cloud, which is then obtained as a series of spherical vector wave functions similar to that of the Mie field. Thus we treat the Debye-Mie field as a whole and study its properties. The main results of this study are (1) the Mie (Debye) field dominates at small (large) wavelengths and in the Rayleigh limit the Debye field is constant; (2) the total cross section has an interference term between the Debye and Mie fields, important in some regimes; (3) this term is negative for negative charge of the grain, implying a total cross section smaller than previously thought; (4) a method is proposed to determine the charge of the grain (divided by a certain suppression factor) and the Debye length of the plasma; (5) a correction to the dispersion relation of an electromagnetic wave propagating in a plasma is derived.

Structured water in polyelectrolyte dendrimers: Understanding small angle neutron scattering results through atomistic simulation

NASA Astrophysics Data System (ADS)

Wu, Bin; Kerkeni, Boutheïna; Egami, Takeshi; Do, Changwoo; Liu, Yun; Wang, Yongmei; Porcar, Lionel; Hong, Kunlun; Smith, Sean C.; Liu, Emily L.; Smith, Gregory S.; Chen, Wei-Ren

2012-04-01

Based on atomistic molecular dynamics (MD) simulations, the small angle neutron scattering (SANS) intensity behavior of a single generation-4 polyelectrolyte polyamidoamine starburst dendrimer is investigated at different levels of molecular protonation. The SANS form factor, P(Q), and Debye autocorrelation function, γ(r), are calculated from the equilibrium MD trajectory based on a mathematical approach proposed in this work. The consistency found in comparison against previously published experimental findings (W.-R. Chen, L. Porcar, Y. Liu, P. D. Butler, and L. J. Magid, Macromolecules 40, 5887 (2007)) leads to a link between the neutron scattering experiment and MD computation, and fresh perspectives. The simulations enable scattering calculations of not only the hydrocarbons but also the contribution from the scattering length density fluctuations caused by structured, confined water within the dendrimer. Based on our computational results, we explore the validity of using radius of gyration RG for microstructure characterization of a polyelectrolyte dendrimer from the scattering perspective.

Polarization recovery through scattering media.

PubMed

de Aguiar, Hilton B; Gigan, Sylvain; Brasselet, Sophie

2017-09-01

The control and use of light polarization in optical sciences and engineering are widespread. Despite remarkable developments in polarization-resolved imaging for life sciences, their transposition to strongly scattering media is currently not possible, because of the inherent depolarization effects arising from multiple scattering. We show an unprecedented phenomenon that opens new possibilities for polarization-resolved microscopy in strongly scattering media: polarization recovery via broadband wavefront shaping. We demonstrate focusing and recovery of the original injected polarization state without using any polarizing optics at the detection. To enable molecular-level structural imaging, an arbitrary rotation of the input polarization does not degrade the quality of the focus. We further exploit the robustness of polarization recovery for structural imaging of biological tissues through scattering media. We retrieve molecular-level organization information of collagen fibers by polarization-resolved second harmonic generation, a topic of wide interest for diagnosis in biomedical optics. Ultimately, the observation of this new phenomenon paves the way for extending current polarization-based methods to strongly scattering environments.

Resolving the structure of Ti 3C 2T x MXenes through multilevel structural modeling of the atomic pair distribution function

DOE PAGES

Wesolowski, David J.; Wang, Hsiu -Wen; Page, Katharine L.; ...

2015-12-08

MXenes are a recently discovered family of two-dimensional (2D) early transition metal carbides and carbonitrides, which have already shown many attractive properties and great promise in energy storage and many other applications. But, a complex surface chemistry and small coherence length have been obstacles in some applications of MXenes, also limiting the accuracy of predictions of their properties. In this study, we describe and benchmark a novel way of modeling layered materials with real interfaces (diverse surface functional groups and stacking order between the adjacent monolayers) against experimental data. The structures of three kinds of Ti 3C 2T x MXenesmore » (T stands for surface terminating species, including O, OH, and F) produced under different synthesis conditions were resolved for the first time using atomic pair distribution function obtained by high-quality neutron total scattering. We present the true nature of the material can be easily captured with the sensitivity of neutron scattering to the surface species of interest and the detailed “third-generation” structure model. The modeling approach leads to new understanding of MXene structural properties and can replace the currently used idealized models in predictions of a variety of physical, chemical, and functional properties of Ti 3C 2-based MXenes. Moreover, the developed models can be employed to guide the design of new MXene materials with selected surface termination and controlled contact angle, catalytic, optical, electrochemical, and other properties. Finally, we suggest that the multilevel structural modeling should form the basis for a generalized methodology on modeling diffraction and pair distribution function data for 2D and layered materials.« less

H-bonding in liquid acetamide as studied by x-ray scattering

NASA Astrophysics Data System (ADS)

Nasr, Salah; Ghédira, Mounir; Cortès, Robert

1999-06-01

A structural investigation of liquid acetamide was performed at 346 K using x-ray scattering. The data are analyzed to yield the molecular structure factor and the distinct pair correlation function. Two H-bonds per molecule are found on average. The mean N⋯O distance is about 3.03 Å. The liquid structure can be described by some structural units similar to the ones existing either in the rhombohedral or in the orthorhombic crystalline form.

Low-angle X-ray scattering properties of irradiated spices

NASA Astrophysics Data System (ADS)

Almeida, A. P. G.; Braz, D.; Barroso, R. C.; Lopes, R. T.

2007-09-01

The scattering of X-rays at low angles (LAXS) is a technique dominated by the coherent scattering process. One characteristic observation of low-angle coherent scattering is the so-called molecular interference effect, being characterized by the presence of one or more peaks in the forward direction of scattering. In the present study, LAXS profiles from five different spices are carefully measured in order to establish characteristic scattering signatures. Samples of Ceylon cinnamon, cumin, nutmeg, paprika and black pepper were bought in local market in Rio de Janeiro, Brazil. The LAXS patterns were obtained using a Shimadzu DRX 6000 diffractometer in reflection geometry. Coherent scattering patterns are measured for the samples for θ=5-35°. The data were collected in 0.05° increments every 3 s. In order to evaluate the possible molecular structure changes caused to the irradiation procedure, the signatures obtained for control (non-irradiated) spices were compared with spice samples irradiated with different doses varying from 3 to 40 kGy. The LAXS patterns of all samples were obtained after 30, 60, 90, 120 days to evaluate the effect of storage period. Scattering profiles from spices irradiated with different irradiation doses were obtained and the results compared. For each spice, there is no considerable deviation in shape in function of the irradiation dose. It indicates that the molecular structure of each analyzed spices is preserved considering the dose range chosen. The results show that the molecular structure was found to be stable during storage at the ambient temperature for up to 4 months.

S-to-P Conversions from Mid-mantle Slow Scatterers in Slab Regions: Observations of Deep/Stagnated Oceanic Crust?

NASA Astrophysics Data System (ADS)

He, Xiaobo; Zheng, Yixian

2018-02-01

The fate of a subducted slab is a key ingredient in the context of plate tectonics, yet it remains enigmatic especially in terms of its crustal component. In this study, our efforts are devoted to resolve slab-related structures in the mid-mantle below eastern Indonesia, the Izu-Bonin region, and the Peru area by employing seismic array analysing techniques on high-frequency waveform data from F-net in Japan and the Alaska regional network and the USArray in North America. A pronounced arrival after the direct P wave is observed in the recordings of four deep earthquakes (depths greater than 400 km) from three subduction systems including the Philippines, the Izu-Bonin, and the Peru. This later arrival displays a slightly lower slowness compared to the direct P wave and its back-azimuth deviates somewhat from the great-circle direction. We explain it as an S-to-P conversion at a deep scatterer below the sources in the source region. In total, five scatterers are seen at depths ranging from 930 to 1500 km. Those scatterers appear to be characterised by an 7 km-thick low-velocity layer compared to the ambient mantle. Combined evidence from published mineral physical analysis suggests that past subducted oceanic crust, possibly fragmented, is most likely responsible for these thin-layer compositional heterogeneities trapped in the mid-mantle beneath the study regions. Our observations give a clue to the potential fate of subducted oceanic crust.

Effects of magnetic field on electron-electron intersubband scattering rates in quantum wells.

NASA Astrophysics Data System (ADS)

Kempa, K.; Zhou, Y.; Engelbrecht, J.; Bakshi, P.

2001-03-01

Electron-electron scattering dominates the physics of carrier relaxation in quantum nano-structures used as active regions of THz radiation sources. This is the limiting mechanism in achieving population inversion, and reducing its deleterious effects could clear the way to a THz laser. We study here the inter-subband relaxation processes due to the electron-electron scattering in quantum well structures, in a magnetic field. We obtain the scattering rate from the imaginary part of the electron self-energy in the random phase approximation, extending our earlier studies [1] to nonzero magnetic fields. We find that the scattering rate is peaked at two possible sets of arrangements of the Landau levels (LL) of the two subbands of interest. The first set occurs when the LL of both subbands align, and the other when the LL misalign, so that the LL of one subband lie exactly in the middle between those of the other subband. Experiments on various quantum cascade structures show that the misaligned set of transitions is completely suppressed. >From our calculations this implies that there is no population inversion in those structures. Work supported by US Army Research Office. [1] K. Kempa, P. Bakshi, J. R. Engelbrecht, and Y. Zhou, Phys. Rev. B61, 11083 (2000).

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

PubMed

Castellanos, Maria Monica; McAuley, Arnold; Curtis, Joseph E

2017-01-01

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.

SASSIE: A program to study intrinsically disordered biological molecules and macromolecular ensembles using experimental scattering restraints

NASA Astrophysics Data System (ADS)

Curtis, Joseph E.; Raghunandan, Sindhu; Nanda, Hirsh; Krueger, Susan

2012-02-01

A program to construct ensembles of biomolecular structures that are consistent with experimental scattering data are described. Specifically, we generate an ensemble of biomolecular structures by varying sets of backbone dihedral angles that are then filtered using experimentally determined restraints to rapidly determine structures that have scattering profiles that are consistent with scattering data. We discuss an application of these tools to predict a set of structures for the HIV-1 Gag protein, an intrinsically disordered protein, that are consistent with small-angle neutron scattering experimental data. We have assembled these algorithms into a program called SASSIE for structure generation, visualization, and analysis of intrinsically disordered proteins and other macromolecular ensembles using neutron and X-ray scattering restraints. Program summaryProgram title: SASSIE Catalogue identifier: AEKL_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEKL_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License v3 No. of lines in distributed program, including test data, etc.: 3 991 624 No. of bytes in distributed program, including test data, etc.: 826 Distribution format: tar.gz Programming language: Python, C/C++, Fortran Computer: PC/Mac Operating system: 32- and 64-bit Linux (Ubuntu 10.04, Centos 5.6) and Mac OS X (10.6.6) RAM: 1 GB Classification: 3 External routines: Python 2.6.5, numpy 1.4.0, swig 1.3.40, scipy 0.8.0, Gnuplot-py-1.8, Tcl 8.5, Tk 8.5, Mac installation requires aquaterm 1.0 (or X window system) and Xcode 3 development tools. Nature of problem: Open source software to generate structures of disordered biological molecules that subsequently allow for the comparison of computational and experimental results is limiting the use of scattering resources. Solution method: Starting with an all atom model of a protein, for example, users can input regions to vary dihedral angles, ensembles of structures can be generated. Additionally, simple two-body rigid-body rotations are supported with and without disordered regions. Generated structures can then be used to calculate small-angle scattering profiles which can then be filtered against experimentally determined data. Filtered structures can be visualized individually or as an ensemble using density plots. In the modular and expandable program framework the user can easily access our subroutines and structural coordinates can be easily obtained for study using other computational physics methods. Additional comments: The distribution file for this program is over 159 Mbytes and therefore is not delivered directly when download or Email is requested. Instead an html file giving details of how the program can be obtained is sent. Running time: Varies depending on application. Typically 10 minutes to 24 hours depending on the number of generated structures.

Interpretation of solution scattering data from lipid nanodiscs

DOE PAGES

Graziano, Vito; Miller, Lisa; Yang, Lin

2018-02-01

The structural information contained in solution scattering data from empty lipid nanodiscs is examined in the context of a multi-component geometric model. X-ray scattering data were collected on nanodiscs of different compositions at scattering vector magnitudes up to 2.0 Å −1 . Through the calculation of the partial form factor for each of the nanodisc components before the isotropic average, structural parameters in the model were correlated to the features observed in the X-ray scattering data and to the corresponding distance distribution function. It is shown that, in general, the features at ∼0.3–0.6 Å −1 in the scattering data correlate to themore » bilayer structure. The data also support the argument that the elliptical shape of nanodiscs found in model fitting is physical, rather than an artefact due to the nanodisc size distribution. The lipid chain packing peak at ∼1.5 Å −1 is visible in the data and reflects the lipid bilayer phase transition. The shape change in the distance distribution function across the phase transition suggests that the nanodiscs are more circular in the fluid phase. The implication of these findings for model fitting of empty and protein-loaded nanodiscs is discussed.« less

Visible near-infrared light scattering of single silver split-ring structure made by nanosphere lithography.

PubMed

Okamoto, Toshihiro; Fukuta, Tetsuya; Sato, Shuji; Haraguchi, Masanobu; Fukui, Masuo

2011-04-11

We succeeded in making a silver split-ring (SR) structure of approximately 130 nm in diameter on a glass substrate using a nanosphere lithography technique. The light scattering spectrum in visible near-infrared region of a single, isolated SR was measured using a microscope spectroscopy optical system. The electromagnetic field enhancement spectrum and distribution of the SR structure were simulated by the finite-difference time-domain method, and the excitation modes were clarified. The long wavelength peak in the light scattering spectra corresponded to a fundamental LC resonance mode excited by an incident electric field. It was shown that a single SR structure fabricated as abovementioned can operate as a resonator and generate a magnetic dipole. © 2011 Optical Society of America

Inclusive neutrino scattering off the deuteron from threshold to GeV energies

NASA Astrophysics Data System (ADS)

Shen, G.; Marcucci, L. E.; Carlson, J.; Gandolfi, S.; Schiavilla, R.

2012-09-01

Background: Neutrino-nucleus quasi-elastic scattering is crucial to interpret the neutrino oscillation results in long baseline neutrino experiments. There are rather large uncertainties in the cross section, due to insufficient knowledge on the role of two-body weak currents.Purpose: Determine the role of two-body weak currents in neutrino-deuteron quasi-elastic scattering up to GeV energies.Methods: Calculate cross sections for inclusive neutrino scattering off deuteron induced by neutral and charge-changing weak currents, from threshold up to GeV energies, using the Argonne v18 potential and consistent nuclear electroweak currents with one- and two-body terms.Results: Two-body contributions are found to be small, and increase the cross sections obtained with one-body currents by less than 10% over the whole range of energies. Total cross sections obtained by describing the final two-nucleon states with plane waves differ negligibly, for neutrino energies ≳ MeV, from those in which interaction effects in these states are fully accounted for. The sensitivity of the calculated cross sections to different models for the two-nucleon potential and/or two-body terms in the weak current is found to be weak. Comparing cross sections to those obtained in a naive model in which the deuteron is taken to consist of a free proton and neutron at rest, nuclear structure effects are illustrated to be non-negligible.Conclusion: Contributions of two-body currents in neutrino-deuteron quasi-elastic scattering up to GeV are found to be smaller than 10%. Finally, it should be stressed that the results reported in this work do not include pion production channels.

High-speed imaging using compressed sensing and wavelength-dependent scattering (Conference Presentation)

NASA Astrophysics Data System (ADS)

Shin, Jaewook; Bosworth, Bryan T.; Foster, Mark A.

2017-02-01

The process of multiple scattering has inherent characteristics that are attractive for high-speed imaging with high spatial resolution and a wide field-of-view. A coherent source passing through a multiple-scattering medium naturally generates speckle patterns with diffraction-limited features over an arbitrarily large field-of-view. In addition, the process of multiple scattering is deterministic allowing a given speckle pattern to be reliably reproduced with identical illumination conditions. Here, by exploiting wavelength dependent multiple scattering and compressed sensing, we develop a high-speed 2D time-stretch microscope. Highly chirped pulses from a 90-MHz mode-locked laser are sent through a 2D grating and a ground-glass diffuser to produce 2D speckle patterns that rapidly evolve with the instantaneous frequency of the chirped pulse. To image a scene, we first characterize the high-speed evolution of the generated speckle patterns. Subsequently we project the patterns onto the microscopic region of interest and collect the total light from the scene using a single high-speed photodetector. Thus the wavelength dependent speckle patterns serve as high-speed pseudorandom structured illumination of the scene. An image sequence is then recovered using the time-dependent signal received by the photodetector, the known speckle pattern evolution, and compressed sensing algorithms. Notably, the use of compressed sensing allows for reconstruction of a time-dependent scene using a highly sub-Nyquist number of measurements, which both increases the speed of the imager and reduces the amount of data that must be collected and stored. We will discuss our experimental demonstration of this approach and the theoretical limits on imaging speed.

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

Yokosawa, A.

An extensive amount of data were obtained from measurements of proton-proton elastic scattering from 1 to 12 GeV/c using longitudinally polarized beams and targets. Physics learned from these data as well as other related experimental results is summarized. The topics include structures observed in nucleon-nucleon scattering at lower energies and dinucleon resonances, pp scattering-amplitude measurements at 6 GeV/c, and lerge p/sub perpendicular/ results in pp elastic scattering.

The scattering variety

NASA Astrophysics Data System (ADS)

He, Yang-Hui; Matti, Cyril; Sun, Chuang

2014-10-01

The so-called Scattering Equations which govern the kinematics of the scattering of massless particles in arbitrary dimensions have recently been cast into a system of homogeneous polynomials. We study these as affine and projective geometries which we call Scattering Varieties by analyzing such properties as Hilbert series, Euler characteristic and singularities. Interestingly, we find structures such as affine Calabi-Yau threefolds as well as singular K3 and Fano varieties.

The Impact of Microstructure on an Accurate Snow Scattering Parameterization at Microwave Wavelengths

NASA Astrophysics Data System (ADS)

Honeyager, Ryan

High frequency microwave instruments are increasingly used to observe ice clouds and snow. These instruments are significantly more sensitive than conventional precipitation radar. This is ideal for analyzing ice-bearing clouds, for ice particles are tenuously distributed and have effective densities that are far less than liquid water. However, at shorter wavelengths, the electromagnetic response of ice particles is no longer solely dependent on particle mass. The shape of the ice particles also plays a significant role. Thus, in order to understand the observations of high frequency microwave radars and radiometers, it is essential to model the scattering properties of snowflakes correctly. Several research groups have proposed detailed models of snow aggregation. These particle models are coupled with computer codes that determine the particles' electromagnetic properties. However, there is a discrepancy between the particle model outputs and the requirements of the electromagnetic models. Snowflakes have countless variations in structure, but we also know that physically similar snowflakes scatter light in much the same manner. Structurally exact electromagnetic models, such as the discrete dipole approximation (DDA), require a high degree of structural resolution. Such methods are slow, spending considerable time processing redundant (i.e. useless) information. Conversely, when using techniques that incorporate too little structural information, the resultant radiative properties are not physically realistic. Then, we ask the question, what features are most important in determining scattering? This dissertation develops a general technique that can quickly parameterize the important structural aspects that determine the scattering of many diverse snowflake morphologies. A Voronoi bounding neighbor algorithm is first employed to decompose aggregates into well-defined interior and surface regions. The sensitivity of scattering to interior randomization is then examined. The loss of interior structure is found to have a negligible impact on scattering cross sections, and backscatter is lowered by approximately five percent. This establishes that detailed knowledge of interior structure is not necessary when modeling scattering behavior, and it also provides support for using an effective medium approximation to describe the interiors of snow aggregates. The Voronoi diagram-based technique enables the almost trivial determination of the effective density of this medium. A bounding neighbor algorithm is then used to establish a greatly improved approximation of scattering by equivalent spheroids. This algorithm is then used to posit a Voronoi diagram-based definition of effective density approach, which is used in concert with the T-matrix method to determine single-scattering cross sections. The resulting backscatters are found to reasonably match those of the DDA over frequencies from 10.65 to 183.31 GHz and particle sizes from a few hundred micrometers to nine millimeters in length. Integrated error in backscatter versus DDA is found to be within 25% at 94 GHz. Errors in scattering cross-sections and asymmetry parameters are likewise small. The observed cross-sectional errors are much smaller than the differences observed among different particle models. This represents a significant improvement over established techniques, and it demonstrates that the radiative properties of dense aggregate snowflakes may be adequately represented by equal-mass homogeneous spheroids. The present results can be used to supplement retrieval algorithms used by CloudSat, EarthCARE, Galileo, GPM and SWACR radars. The ability to predict the full range of scattering properties is potentially also useful for other particle regimes where a compact particle approximation is applicable.

Neutron Scattering Studies on Large Length Scale Sample Structures

NASA Astrophysics Data System (ADS)

Feng, Hao

Neutron scattering can be used to study structures of matter. Depending on the interested sample properties, different scattering techniques can be chosen. Neutron reflectivity is more often used to detect in-depth profile of layered structures and the interfacial roughness while transmission is more sensitive to sample bulk properties. Neutron Reflectometry (NR) technique, one technique in neutron reflectivity, is first discussed in this thesis. Both specular reflectivity and the first order Bragg intensity were measured in the NR experiment with a diffraction grating in order to study the in-depth and the lateral structure of a sample (polymer) deposited on the grating. However, the first order Bragg intensity solely is sometimes inadequate to determine the lateral structure and high order Bragg intensities are difficult to measure using traditional neutron scattering techniques due to the low brightness of the current neutron sources. Spin Echo Small Angle Neutron Scattering (SESANS) technique overcomes this resolution problem by measuring the Fourier transforms of all the Bragg intensities, resulting in measuring the real-space density correlations of samples and allowing the accessible length scale from few-tens of nanometers to several microns. SESANS can be implemented by using two pairs of magnetic Wollaston prims (WP) and the accessible length scale is proportional to the magnetic field intensity in WPs. To increase the magnetic field and thus increase the accessible length scale, an apparatus named Superconducting Wollaston Prisms (SWP) which has a series of strong, well-defined shaped magnetic fields created by superconducting coils was developed in Indiana University in 2016. Since then, various kinds of optimization have been implemented, which are addressed in this thesis. Finally, applications of SWPs in other neutron scattering techniques like Neutron Larmor Diffraction (NLD) are discussed.

Symmetry in polarimetric remote sensing

NASA Technical Reports Server (NTRS)

Nghiem, S. V.; Yueh, S. H.; Kwok, R.

1993-01-01

Relationships among polarimetric backscattering coefficients are derived from the viewpoint of symmetry groups. For both reciprocal and non-reciprocal media, symmetry encountered in remote sensing due to reflection, rotation, azimuthal, and centrical symmetry groups is considered. The derived properties are general and valid to all scattering mechanisms, including volume and surface scatterings and their interactions, in a given symmetrical configuration. The scattering coefficients calculated from theoretical models for layer random media and rough surfaces are shown to obey the symmetry relations. Use of symmetry properties in remote sensing of structural and environmental responses of scattering media is also discussed. Orientations of spheroidal scatterers described by spherical, uniform, planophile, plagiothile, erectophile, and extremophile distributions are considered to derive their polarimetric backscattering characteristics. These distributions can be identified from the observed scattering coefficients by comparison with theoretical symmetry calculations. A new parameter is then defined to study scattering structures in geophysical media. Observations from polarimetric data acquired by the Jet Propulsion Laboratory airborne synthetic aperture radar over forests, sea ice, and sea surface are presented. Experimental evidences of the symmetry relationships are shown and their use in polarimetric remote sensing is illustrated. For forests, the coniferous forest in Mt. Shasta area (California) and mixed forest near Presque Isle (Maine) exhibit characteristics of the centrical symmetry at C-band. For sea ice in the Beaufort Sea, multi-year sea ice has a cross-polarized ratio e close to e(sub 0), calculated from symmetry, due to the randomness in the scattering structure. First-year sea ice has e much smaller than e(sub 0) due to the preferential alignment of the columnar structure of the ice. From polarimetric data of a sea surface in the Bering Sea, it is observed that e and e(sub 0) are increasing with incident angle and e is greater than e(sub 0) at L-band because of the directional feature of sea surface waves. Symmetry properties of geophysical media can also be used to calibrate polarimetric radars.

Surface Parameters of Titan Feature Classes From Cassini RADAR Backscatter Measurements

NASA Astrophysics Data System (ADS)

Wye, L. C.; Zebker, H. A.; Lopes, R. M.; Peckyno, R.; Le Gall, A.; Janssen, M. A.

2008-12-01

Multimode microwave measurements collected by the Cassini RADAR instrument during the spacecraft's first four years of operation form a fairly comprehensive set of radar backscatter data over a variety of Titan surface features. We use the real-aperture scatterometry processor to analyze the entire collection of active data, creating a uniformly-calibrated dataset that covers 93% of Titan's surface at a variety of viewing angles. Here, we examine how the measured backscatter response (radar reflectivity as a function of incidence angle) varies with surface feature type, such as dunes, cryovolcanic areas, and anomalous albedo terrain. We identify the feature classes using a combination of maps produced by the RADAR, ISS, and VIMS instruments. We then derive surface descriptors including roughness, dielectric constant, and degree of volume scatter. Radar backscatter on Titan is well-modeled as a superposition of large-scale surface scattering (quasispecular scattering) together with a combination of small-scale surface scattering and subsurface volume scattering (diffuse scattering). The viewing geometry determines which scattering mechanism is strongest. At low incidence angles, quasispecular scatter dominates the radar backscatter return. At higher incidence angles (angles greater than ~30°), diffuse scatter dominates the return. We use a composite model to separate the two scattering regimes; we model the quasispecular term with a combination of two traditional backscatter laws (we consider the Hagfors, Gaussian, and exponential models), following a technique developed by Sultan-Salem and Tyler [1], and we model the diffuse term, which encompasses both diffuse mechanisms, with a simple cosine power law. Using this total composite model, we analyze the backscatter curves of all features classes on Titan for which we have adequate angular coverage. In most cases, we find that the superposition of the Hagfors law with the exponential law best models the quasispecular response. A generalized geometric optics approach permits us to combine the best-fit parameters from each component of the composite model to yield a single value for the surface dielectric constant and RMS slope [1]. In this way, we map the relative variation of composition and wavelength-scale structure across the surface. We also map the variation of radar albedo across the analyzed features, as well as the relative prevalence of the different scattering mechanisms through the measured ratio of diffuse power to quasispecular power. These map products help to constrain how different geological processes might be interacting on a global scale. [1] A. K. Sultan-Salem, G. L. Tyler, JGR 112, 2007.

Electromagnetic radiation from filamentary sources in the presence of axially magnetized cylindrical plasma scatterers

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

Es’kin, V. A.; Ivoninsky, A. V.; Kudrin, A. V., E-mail: kud@rf.unn.ru

Electromagnetic radiation from filamentary electric-dipole and magnetic-current sources of infinite length in the presence of gyrotropic cylindrical scatterers in the surrounding free space is studied. The scatterers are assumed to be infinitely long, axially magnetized circular plasma columns parallel to the axis of the filamentary source. The field and the radiation pattern of each source are calculated in the case where the source frequency is equal to one of the surface plasmon resonance frequencies of the cylindrical scatterers. It is shown that the presence of even a single resonant magnetized plasma scatterer of small electrical radius or a few suchmore » scatterers significantly affects the total fields of the filamentary sources, so that their radiation patterns become essentially different from those in the absence of scatterers or the presence of isotropic scatterers of the same shape and size. It is concluded that the radiation characteristics of the considered sources can efficiently be controlled using their resonance interaction with the neighboring gyrotropic scatterers.« less

Double differential cross sections for proton induced electron emission from molecular analogues of DNA constituents for energies in the Bragg peak region

NASA Astrophysics Data System (ADS)

Rudek, Benedikt; Bennett, Daniel; Bug, Marion U.; Wang, Mingjie; Baek, Woon Yong; Buhr, Ticia; Hilgers, Gerhard; Champion, Christophe; Rabus, Hans

2016-09-01

For track structure simulations in the Bragg peak region, measured electron emission cross sections of DNA constituents are required as input for developing parameterized model functions representing the scattering probabilities. In the present work, double differential cross sections were measured for the electron emission from vapor-phase pyrimidine, tetrahydrofuran, and trimethyl phosphate that are structural analogues to the base, the sugar, and the phosphate residue of the DNA, respectively. The range of proton energies was from 75 keV to 135 keV, the angles ranged from 15° to 135°, and the electron energies were measured from 10 eV to 200 eV. Single differential and total electron emission cross sections are derived by integration over angle and electron energy and compared to the semi-empirical Hansen-Kocbach-Stolterfoht (HKS) model and a quantum mechanical calculation employing the first Born approximation with corrected boundary conditions (CB1). The CB1 provides the best prediction of double and single differential cross section, while total cross sections can be fitted with semi-empirical models. The cross sections of the three samples are proportional to their total number of valence electrons.

Experimental Approaches for Solution X-Ray Scattering and Fiber Diffraction

PubMed Central

Irving, T. C.

2008-01-01

X-ray scattering and diffraction from non-crystalline systems have gained renewed interest in recent years, as focus shifts from the structural chemistry information gained by high-resolution studies to the context of structural physiology at larger length scales. Such techniques permit the study of isolated macromolecules as well as highly organized macromolecular assemblies as a whole under near-physiological conditions. Time-resolved approaches, made possible by advanced synchrotron instrumentation, add a critical dimension to many of these investigations. This article reviews experimental approaches in non-crystalline x-ray scattering and diffraction that may be used to illuminate important scientific questions such as protein/nucleic acid folding and structure-function relationships in large macromolecular assemblies. PMID:18801437

Assessment of Corneal Backward Light Scattering in Diabetic Patients.

PubMed

Özyol, Pelin; Özyol, Erhan

2016-10-03

To analyze corneal backward light scattering differences in patients with type 2 diabetes mellitus. We enrolled 43 eyes from 43 diabetic patients and 40 eyes from 40 healthy controls. Corneal backward light scattering was evaluated using densitometry measurements from different corneal layers and zones obtained using Scheimpflug tomography (PentacamHR). When densitometry values were divided by depth, anterior layer of diabetic corneas displayed significantly higher corneal backward light scattering values than controls (32.05, 95% confidence intervals [CI], 31.02-33.08 vs. 29.18, 95% CI, 27.60-30.76, P=0.024). Corneal densitometry measurements were also significantly higher in diabetic eyes compared with control eyes, when considered by concentric zones of total cornea in the 0 to 2 mm (21.65, 95% CI, 20.28-23.01 vs. 18.87 95% CI, 18.49-19.25, P=0.020), and anterior layer in the 0 to 2 mm (27.3, 95% CI, 25.04-29.56 vs. 22.31, 95% CI, 20.57-24.05, P<0.001), 2 to 6 mm (26.2, 95% CI, 24.99-27.41 vs. 22.4, 95% CI, 20.18-24.62, P<0.001) and 6 to 10 mm (32.19, 95% CI, 29.98-34.40 vs. 27.2, 95% CI, 25.39-29.01, P=0.022). There was excellent positive correlation between anterior total corneal densitometry measurements and duration of diabetes (r=0.802, P<0.001), although no significant correlation was observed with anterior total corneal densitometry measurements and hemoglobin A1c levels (r=0.080, P=0.621) in diabetic eyes. Backward light scattering values from the anterior layer of the cornea is greater in diabetic eyes than in controls. Anterior total corneal densitometry measurements show positive correlation with the duration of diabetes.

Effects of the environmental factors on the casein micelle structure studied by cryo transmission electron microscopy and small-angle x-ray scattering/ultrasmall-angle x-ray scattering

NASA Astrophysics Data System (ADS)

Marchin, Stéphane; Putaux, Jean-Luc; Pignon, Frédéric; Léonil, Joëlle

2007-01-01

Casein micelles are colloidal protein-calcium-transport complexes whose structure has not been unequivocally elucidated. This study used small-angle x-ray scattering (SAXS) and ultrasmall angle x-ray scattering (USAXS) as well as cryo transmission electron microscopy (cryo-TEM) to provide fine structural details on their structure. Cryo-TEM observations of native casein micelles fractionated by differential centrifugation showed that colloidal calcium phosphate appeared as nanoclusters with a diameter of about 2.5nm. They were uniformly distributed in a homogeneous tangled web of caseins and were primarily responsible for the intensity distribution in the SAXS profiles at the highest q vectors corresponding to the internal structure of the casein micelles. A specific demineralization of casein micelles by decreasing the pH from 6.7 to 5.2 resulted in a reduced granular aspect of the micelles observed by cryo-TEM and the existence of a characteristic point of inflection in SAXS profiles. This supports the hypothesis that the smaller substructures detected by SAXS are colloidal calcium phosphate nanoclusters rather than putative submicelles.

TOMO-ETNA Experiment -Etna volcano, Sicily, investigated with active and passive seismic methods

NASA Astrophysics Data System (ADS)

Luehr, Birger-G.; Ibanez, Jesus M.; Díaz-Moreno, Alejandro; Prudencio, Janire; Patane, Domenico; Zieger, Toni; Cocina, Ornella; Zuccarello, Luciano; Koulakov, Ivan; Roessler, Dirk; Dahm, Torsten

2017-04-01

The TOMO-ETNA experiment, as part of the European Union project "MEDiterranean SUpersite Volcanoes (MED-SUV)", was devised to image the crustal structure beneath Etna by using state of the art passive and active seismic methods. Activities on-land and offshore are aiming to obtain new high-resolution seismic images to improve the knowledge of crustal structures existing beneath the Etna volcano and northeast Sicily up to the Aeolian Islands. In a first phase (June 15 - July 24, 2014) at Etna volcano and surrounding areas two removable seismic networks were installed composed by 80 Short Period and 20 Broadband stations, additionally to the existing network belonging to the "Istituto Nazionale di Geofisica e Vulcanologia" (INGV). So in total air-gun shots could be recorded by 168 stations onshore plus 27 ocean bottom instruments offshore in the Tyrrhenian and Ionian Seas. Offshore activities were performed by Spanish and Italian research vessels. In a second phase the broadband seismic network remained operative until October 28, 2014, as well as offshore surveys during November 19 -27, 2014. Active seismic sources were generated by an array of air-guns mounted in the Spanish Oceanographic vessel "Sarmiento de Gamboa" with a power capacity of up to 5.200 cubic inches. In total more than 26.000 shots were fired and more than 450 local and regional earthquakes could be recorded and will be analyzed. For resolving a volcanic structure the investigation of attenuation and scattering of seismic waves is important. In contrast to existing studies that are almost exclusively based on S-wave signals emitted by local earthquakes, here air-gun signals were investigated by applying a new methodology based on the coda energy ratio defined as the ratio between the energy of the direct P-wave and the energy in a later coda window. It is based on the assumption that scattering caused by heterogeneities removes energy from direct P-waves that constitutes the earliest possible arrival to any part later in the seismic wave train. As an independent proxy of the scattering strength along the ray path, we measure the peak delay time of a direct P-wave, which is well correlated with the coda energy ratio. As a result the distribution of heterogeneities around Etna could be visualized as the projection of the observation in directions of incident rays at the stations. Increased seismic scattering could be detected in the volcano and east of it. The strong heterogeneous zone towards the east coast of Sicily supports earlier observations, and is interpreted as a potential signature of the eastward sliding volcano flank. Beside the investigation of P-wave scattering the new seismic tomography software PARTOS (Passive Active Ray Tomography Software) has been developed based on a joint inversion of active and passive seismic sources. With PARTOS real data inversion has been carried out using three different subsets: i) active data; ii) passive data; and iii) joint dataset, permitting to obtain a new tomographic approach of that region.

Multiple scaled disorder in the photonic structure of Morpho rhetenor butterfly

NASA Astrophysics Data System (ADS)

Boulenguez, J.; Berthier, S.; Leroy, F.

2012-03-01

The iridescence of Morpho rhetenor butterfly is known to result from a photonic structure on wing scales, where multilayer interference and grating diffraction occur simultaneously. We characterize the disorder at the photonic structure length scale and at the butterfly scale. We measure the scattering pattern of the wing. Through RCWA and 1st Born approximation models, we link the different disorders to different features in the scattering patterns.

Accurate optimization of amino acid form factors for computing small-angle X-ray scattering intensity of atomistic protein structures

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

Tong, Dudu; Yang, Sichun; Lu, Lanyuan

2016-06-20

Structure modellingviasmall-angle X-ray scattering (SAXS) data generally requires intensive computations of scattering intensity from any given biomolecular structure, where the accurate evaluation of SAXS profiles using coarse-grained (CG) methods is vital to improve computational efficiency. To date, most CG SAXS computing methods have been based on a single-bead-per-residue approximation but have neglected structural correlations between amino acids. To improve the accuracy of scattering calculations, accurate CG form factors of amino acids are now derived using a rigorous optimization strategy, termed electron-density matching (EDM), to best fit electron-density distributions of protein structures. This EDM method is compared with and tested againstmore » other CG SAXS computing methods, and the resulting CG SAXS profiles from EDM agree better with all-atom theoretical SAXS data. By including the protein hydration shell represented by explicit CG water molecules and the correction of protein excluded volume, the developed CG form factors also reproduce the selected experimental SAXS profiles with very small deviations. Taken together, these EDM-derived CG form factors present an accurate and efficient computational approach for SAXS computing, especially when higher molecular details (represented by theqrange of the SAXS data) become necessary for effective structure modelling.« less

Small-angle scattering from 3D Sierpinski tetrahedron generated using chaos game

NASA Astrophysics Data System (ADS)

Slyamov, Azat

2017-12-01

We approximate a three dimensional version of deterministic Sierpinski gasket (SG), also known as Sierpinski tetrahedron (ST), by using the chaos game representation (CGR). Structural properties of the fractal, generated by both deterministic and CGR algorithms are determined using small-angle scattering (SAS) technique. We calculate the corresponding monodisperse structure factor of ST, using an optimized Debye formula. We show that scattering from CGR of ST recovers basic fractal properties, such as fractal dimension, iteration number, scaling factor, overall size of the system and the number of units composing the fractal.

Accuracy Assessments of Cloud Droplet Size Retrievals from Polarized Reflectance Measurements by the Research Scanning Polarimeter

NASA Technical Reports Server (NTRS)

Alexandrov, Mikhail Dmitrievic; Cairns, Brian; Emde, Claudia; Ackerman, Andrew S.; vanDiedenhove, Bastiaan

2012-01-01

We present an algorithm for the retrieval of cloud droplet size distribution parameters (effective radius and variance) from the Research Scanning Polarimeter (RSP) measurements. The RSP is an airborne prototype for the Aerosol Polarimetery Sensor (APS), which was on-board of the NASA Glory satellite. This instrument measures both polarized and total reflectance in 9 spectral channels with central wavelengths ranging from 410 to 2260 nm. The cloud droplet size retrievals use the polarized reflectance in the scattering angle range between 135deg and 165deg, where they exhibit the sharply defined structure known as the rain- or cloud-bow. The shape of the rainbow is determined mainly by the single scattering properties of cloud particles. This significantly simplifies both forward modeling and inversions, while also substantially reducing uncertainties caused by the aerosol loading and possible presence of undetected clouds nearby. In this study we present the accuracy evaluation of our algorithm based on the results of sensitivity tests performed using realistic simulated cloud radiation fields.

Precise Geolocation Of Persistent Scatterers Aided And Validated By Lidar DSM

NASA Astrophysics Data System (ADS)

Chang, Ling; Dheenathayalan, Prabu; Hanessen, Ramon

2013-12-01

Persistent Scatterers (PS) interferometry results in the de- formation history of time-coherent scatterers. Although several applications focus on smooth, spatially correlated signals, we aim for the detection, identification and analysis of single anomalies. These targets can be indicative of, e.g., strain in structures, potentially leading to the failure of such structures. For the identification and analysis it is of the greatest importance to know the exact position of the effective scattering center, to avoid an improper interpretation of the driving mechanism. Here we present an approach to optimize the geolocation of important scatterers, when necessary aided by an a priori Lidar-derived DSM (AHN-1 data) with 15cm and 5m resolution in vertical and horizontal directions, respectively. The DSM is also used to validate the geocoding. We implement our approach on a near-collapse event of a shopping mall in Heerlen, the Netherlands, to generate the precise geolocation of local PS points.

Study of coherent reflectometer for imaging internal structures of highly scattering media

NASA Astrophysics Data System (ADS)

Poupardin, Mathieu; Dolfi, Agnes

1996-01-01

Optical reflectometers are potentially useful tools for imaging internal structures of turbid media, particularly of biological media. To get a point by point image, an active imaging system has to distinguish light scattered from a sample volume and light scattered by other locations in the media. Operating this discrimination of light with reflectometers based on coherence can be realized in two ways: assuring a geometric selection or a temporal selection. In this paper we present both methods, showing in each case the influence of the different parameters on the size of the sample volume under the assumption of single scattering. We also study the influence on the detection efficiency of the coherence loss of the incident light resulting from multiple scattering. We adapt a model, first developed for atmospheric lidar in turbulent atmosphere, to get an analytical expression of this detection efficiency in the function of the optical coefficients of the media.

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

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

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

2014-01-01

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

Speckles in interstellar radio-wave scattering

NASA Technical Reports Server (NTRS)

Desai, K. M.; Gwinn, C. R.; Reynolds, J.; King, E. A.; Jauncey, D.; Nicholson, G.; Flanagan, C.; Preston, R. A.; Jones, D. L.

1991-01-01

Observations of speckles in the scattering disk of the Vela pulsar are presented and speckle techniques for studying and circumventing scattering of radio waves by the turbulent interstellar plasma are discussed. The speckle pattern contains, in a hologrammatic fashion, complete information on the structure of the radio source as well as the distribution of the scattering material. Speckle observations of interstellar scattering of radio waves are difficult because of their characteristically short timescales and narrow bandwidths. Here, first observations are presented, taken at 13 cm wavelength with elements of the SHEVE VLBI network, of speckles in interstellar scattering.

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

Sato, Toyoto; Tomiyasu, Dr. Keisuke; Ikeda, Kazutaka

Local atomic structural investigations of LiAlD4, which is composed of Li+ and [AlD4], at 40 300 K were studied by total neutron scattering combined with pair distribution function (PDF) analysis for understanding of hydrogen release from LiAlD4. The results showed that the Al D pair distribution almost unchanged, while the Li D pair distribution clearly started to broaden and shrink above 200 250 K. The shrinking of the Li D pair distribution might lead to the local generation of LiD, which was speculated as the precursory phenomenon for the hydrogen release from LiAlD4.

Maskelynite formation via solid-state transformation: Evidence of infrared and x-ray anisotropy

DOE PAGES

Jaret, Steven J.; Ehm, Lars; Woerner, William R.; ...

2015-03-24

We present optical microscopy, micro-Raman spectroscopy, nuclear magnetic resonance (NMR) spectroscopy, high-energy X-ray total scattering experiments, and micro-Fourier transform infrared (micro-FTIR) spectroscopy on shocked labradorite from the Lonar Crater, India. We show that maskelynite of shock class 2 is structurally more similar to fused glass than to crystalline plagioclase. However, there are slight but significant differences – preservation of original pre-impact igneous zoning, anisotropy at Infrared wavelengths, X-ray anisotropy, and preservation of some intermediate range order – which are all consistent with a solid-state transformation formation of maskelynite.

X-ray vector radiography of a human hand

NASA Astrophysics Data System (ADS)

Jud, Christoph; Braig, Eva; Dierolf, Martin; Eggl, Elena; Günther, Benedikt; Achterhold, Klaus; Gleich, Bernhard; Rummeny, Ernst; Noël, Peter; Pfeiffer, Franz; Münzel, Daniela

2017-03-01

Grating based x-ray phase-contrast reveals differential phase-contrast (DPC) and dark-field contrast (DFC) on top of the conventional absorption image. X-ray vector radiography (XVR) exploits the directional dependence of the DFC and yields the mean scattering strength, the degree of anisotropy and the orientation of scattering structures by combining several DFC-projections. Here, we perform an XVR of an ex vivo human hand specimen. Conventional attenuation images have a good contrast between the bones and the surrounding soft tissue. Within the bones, trabecular structures are visible. However, XVR detects subtler differences within the trabecular structure: there is isotropic scattering in the extremities of the phalanx in contrast to anisotropic scattering in its body. The orientation changes as well from relatively random in the extremities to an alignment along the longitudinal trabecular orientation in the body. In the other bones measured, a similar behavior was found. These findings indicate a deeper insight into the anatomical configuration using XVR compared to conventional radiography. Since microfractures cause a discontinuous trabecular structure, XVR could help to detect so-called radiographically occult fractures of the trabecular bones.

POLARIZED SCATTERING OF LIGHT FOR ARBITRARY MAGNETIC FIELDS WITH LEVEL-CROSSINGS FROM THE COMBINATION OF HYPERFINE AND FINE STRUCTURE SPLITTINGS

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

Sowmya, K.; Nagendra, K. N.; Sampoorna, M.

2015-12-01

Interference between magnetic substates of the hyperfine structure states belonging to different fine structure states of the same term influences the polarization for some of the diagnostically important lines of the Sun's spectrum, like the sodium and lithium doublets. The polarization signatures of this combined interference contain information on the properties of the solar magnetic fields. Motivated by this, in the present paper, we study the problem of polarized scattering on a two-term atom with hyperfine structure by accounting for the partial redistribution in the photon frequencies arising due to the Doppler motions of the atoms. We consider the scatteringmore » atoms to be under the influence of a magnetic field of arbitrary strength and develop a formalism based on the Kramers–Heisenberg approach to calculate the scattering cross section for this process. We explore the rich polarization effects that arise from various level-crossings in the Paschen–Back regime in a single scattering case using the lithium atomic system as a concrete example that is relevant to the Sun.« less

Electromagnetic scattering of large structures in layered earths using integral equations

NASA Astrophysics Data System (ADS)

Xiong, Zonghou; Tripp, Alan C.

1995-07-01

An electromagnetic scattering algorithm for large conductivity structures in stratified media has been developed and is based on the method of system iteration and spatial symmetry reduction using volume electric integral equations. The method of system iteration divides a structure into many substructures and solves the resulting matrix equation using a block iterative method. The block submatrices usually need to be stored on disk in order to save computer core memory. However, this requires a large disk for large structures. If the body is discretized into equal-size cells it is possible to use the spatial symmetry relations of the Green's functions to regenerate the scattering impedance matrix in each iteration, thus avoiding expensive disk storage. Numerical tests show that the system iteration converges much faster than the conventional point-wise Gauss-Seidel iterative method. The numbers of cells do not significantly affect the rate of convergency. Thus the algorithm effectively reduces the solution of the scattering problem to an order of O(N2), instead of O(N3) as with direct solvers.

Plane-dependent ML scatter scaling: 3D extension of the 2D simulated single scatter (SSS) estimate.

PubMed

Rezaei, Ahmadreza; Salvo, Koen; Vahle, Thomas; Panin, Vladimir; Casey, Michael; Boada, Fernando; Defrise, Michel; Nuyts, Johan

2017-07-24

Scatter correction is typically done using a simulation of the single scatter, which is then scaled to account for multiple scatters and other possible model mismatches. This scaling factor is determined by fitting the simulated scatter sinogram to the measured sinogram, using only counts measured along LORs that do not intersect the patient body, i.e. 'scatter-tails'. Extending previous work, we propose to scale the scatter with a plane dependent factor, which is determined as an additional unknown in the maximum likelihood (ML) reconstructions, using counts in the entire sinogram rather than only the 'scatter-tails'. The ML-scaled scatter estimates are validated using a Monte-Carlo simulation of a NEMA-like phantom, a phantom scan with typical contrast ratios of a 68 Ga-PSMA scan, and 23 whole-body 18 F-FDG patient scans. On average, we observe a 12.2% change in the total amount of tracer activity of the MLEM reconstructions of our whole-body patient database when the proposed ML scatter scales are used. Furthermore, reconstructions using the ML-scaled scatter estimates are found to eliminate the typical 'halo' artifacts that are often observed in the vicinity of high focal uptake regions.

The beam stop array method to measure object scatter in digital breast tomosynthesis

NASA Astrophysics Data System (ADS)

Lee, Haeng-hwa; Kim, Ye-seul; Park, Hye-Suk; Kim, Hee-Joung; Choi, Jae-Gu; Choi, Young-Wook

2014-03-01

Scattered radiation is inevitably generated in the object. The distribution of the scattered radiation is influenced by object thickness, filed size, object-to-detector distance, and primary energy. One of the investigations to measure scatter intensities involves measuring the signal detected under the shadow of the lead discs of a beam-stop array (BSA). The measured scatter by BSA includes not only the scattered radiation within the object (object scatter), but also the external scatter source. The components of external scatter source include the X-ray tube, detector, collimator, x-ray filter, and BSA. Excluding background scattered radiation can be applied to different scanner geometry by simple parameter adjustments without prior knowledge of the scanned object. In this study, a method using BSA to differentiate scatter in phantom (object scatter) from external background was used. Furthermore, this method was applied to BSA algorithm to correct the object scatter. In order to confirm background scattered radiation, we obtained the scatter profiles and scatter fraction (SF) profiles in the directions perpendicular to the chest wall edge (CWE) with and without scattering material. The scatter profiles with and without the scattering material were similar in the region between 127 mm and 228 mm from chest wall. This result indicated that the measured scatter by BSA included background scatter. Moreover, the BSA algorithm with the proposed method could correct the object scatter because the total radiation profiles of object scatter correction corresponded to original image in the region between 127 mm and 228 mm from chest wall. As a result, the BSA method to measure object scatter could be used to remove background scatter. This method could apply for different scanner geometry after background scatter correction. In conclusion, the BSA algorithm with the proposed method is effective to correct object scatter.

Elastic scattering and total reaction cross section of {sup 6}He+{sup 120}Sn

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

Faria, P. N. de; Lichtenthaeler, R.; Pires, K. C. C.

The elastic scattering of {sup 6}He on {sup 120}Sn has been measured at four energies above the Coulomb barrier using the {sup 6}He beam produced at the RIBRAS (Radioactive Ion Beams in Brasil) facility. The elastic angular distributions have been analyzed with the optical model and three- and four-body continuum-discretized coupled-channels calculations. The total reaction cross sections have been derived and compared with other systems of similar masses.

Simulation Studies of the Effect of Forest Spatial Structure on InSAR Signature

NASA Technical Reports Server (NTRS)

Sun, Guoqing; Liu, Dawei; Ranson, K. Jon; Koetz, Benjamin

2007-01-01

The height of scattering phase retrieved from InSAR data is considered being correlated with the tree height and the spatial structure of the forest stand. Though some researchers have used simple backscattering models to estimate tree height from the height of scattering center, the effect of forest spatial structure on InSAR data is not well understood yet. A three-dimensional coherent radar backscattering model for forest canopies based on realistic three-dimensional scene was used to investigate the effect in this paper. The realistic spatial structure of forest canopies was established either by field measurements (stem map) or through use of forest growth model. Field measurements or a forest growth model parameterized using local environmental parameters provides information of forest species composition and tree sizes in certain growth phases. A fractal tree model (L-system) was used to simulate individual 3- D tree structure of different ages or heights. Trees were positioned in a stand in certain patterns resulting in a 3-D medium of discrete scatterers. The radar coherent backscatter model took the 3-D forest scene as input and simulates the coherent radar backscattering signature. Interferometric SAR images of 3D scenes were simulated and heights of scattering phase centers were estimated from the simulated InSAR data. The effects of tree height, crown cover, crown depth, and the spatial distribution patterns of trees on the scattering phase center were analyzed. The results will be presented in the paper.

Spontaneous emission of Bloch oscillation radiation under the competing influences of microcavity enhancement and inhomogeneous interface degradation

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

Sokolov, V. N.; Iafrate, G. J.

2014-02-07

A theory for the spontaneous emission (SE) of terahertz radiation for a Bloch electron traversing a single energy miniband of a superlattice (SL) in a cavity, while undergoing elastic scattering is presented. The Bloch electron is accelerated under the influence of a superimposed external constant electric field and an internal inhomogeneous electric field, while radiating into a microcavity. The analysis of the SE accounts for both the spectral structure of nonharmonic miniband components and the Bloch oscillation degradation effects arising from elastic scattering due to SL interface roughness. The interface roughness effects are decomposed into contributions arising from independent planarmore » and cross-correlated neighboring planar interfaces; parametric numerical estimates show that the cross-correlated contribution to the SE relaxation rate is relatively small, representing less than roughly 10% of the total relaxation rate. It is shown that the degradation effects from SL interface roughness can be more than compensated for by the enhancements derived from microcavity-based tuning of the emission frequency to the cavity density of states peak. The theoretical approach developed herein has general applicability beyond its use for elastic scattering due to interface roughness. As well, the results obtained in this analysis can be useful in the development of SL-based Bloch-oscillator terahertz devices.« less

Neutron observables from inclusive lepton scattering on nuclei

NASA Astrophysics Data System (ADS)

Rinat, A. S.; Taragin, M. F.

2010-07-01

We analyze new data from Thomas Jefferson National Accelerator Facility (JLab) for inclusive electron scattering on various targets. Computed and measured total inclusive cross sections in the range 0.3≲x≲0.95 show reasonable agreement on a logarithmic scale for all targets. However, closer inspection of the quasielastic components reveals serious discrepancies. European Muon Collaboration (EMC) ratios with conceivably smaller systematic errors fare the same. As a consequence, the new data do not enable the extraction of the magnetic form factor GMn and the structure function F2n of the neutron, although the application of exactly the same analysis to older data had been successful. We incorporate in the above analysis older CLAS Collaboration data on F22H. Removal of some scattered points from those makes it appear possible to obtain the desired neutron information. We compare our results with others from alternative sources. Special attention is paid to the A=3 isodoublet cross sections and EMC ratios. Present data exist only for He3, but the available input in combination with charge symmetry enables computations for H3. Their average is the computed isoscalar part and is compared with the empirical modification of He3 EMC ratios toward a fictitious A=3 isosinglet.

Geometric phase effects in the ultracold D + HD $$ \\rightarrow $$ D + HD and D + HD $$\\leftrightarrow $$ H + D 2 reactions

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

Kendrick, Brian Kent; Hazra, Jisha; Balakrishnan, Naduvaluth

The results of accurate quantum reactive scattering calculations for the D + HD(v = 4, j = 0)more » $$\\to $$ D + HD($$v^{\\prime} $$, $$j^{\\prime} $$), D + HD(v = 4, j = 0) $$\\to $$ H + D2($$v^{\\prime} $$, $$j^{\\prime} $$) and H + D2(v = 4, j = 0) $$\\to $$ D + HD($$v^{\\prime} $$, $$j^{\\prime} $$) reactions are presented for collision energies between $$1\\,\\mu {\\rm{K}}$$ and $$100\\,{\\rm{K}}$$. The ab initio BKMP2 PES for the ground electronic state of H3 is used and all values of total angular momentum between $J=0-4$ are included. The general vector potential approach is used to include the geometric phase. The rotationally resolved, vibrationally resolved, and total reaction rate coefficients are reported as a function of collision energy. Rotationally resolved differential cross sections are also reported as a function of collision energy and scattering angle. Large geometric phase effects appear in the ultracold reaction rate coefficients which result in a significant enhancement or suppression of the rate coefficient (up to 3 orders of magnitude) relative to calculations which ignore the geometric phase. The results are interpreted using a new quantum interference mechanism which is unique to ultracold collisions. Significant effects of the geometric phase also appear in the rotationally resolved differential cross sections which lead to a very different oscillatory structure in both energy and scattering angle. Several shape resonances occur in the 1–$$10\\,{\\rm{K}}$$ energy range and the geometric phase is shown to significantly alter the predicted resonance spectrum. The geometric phase effects and ultracold rate coefficients depend sensitively on the nuclear spin. Furthermore, experimentalists may be able to control the reaction by the selection of a particular nuclear spin state.« less

Geometric phase effects in the ultracold D + HD $$ \\rightarrow $$ D + HD and D + HD $$\\leftrightarrow $$ H + D 2 reactions

DOE PAGES

Kendrick, Brian Kent; Hazra, Jisha; Balakrishnan, Naduvaluth

2016-12-15

The results of accurate quantum reactive scattering calculations for the D + HD(v = 4, j = 0)more » $$\\to $$ D + HD($$v^{\\prime} $$, $$j^{\\prime} $$), D + HD(v = 4, j = 0) $$\\to $$ H + D2($$v^{\\prime} $$, $$j^{\\prime} $$) and H + D2(v = 4, j = 0) $$\\to $$ D + HD($$v^{\\prime} $$, $$j^{\\prime} $$) reactions are presented for collision energies between $$1\\,\\mu {\\rm{K}}$$ and $$100\\,{\\rm{K}}$$. The ab initio BKMP2 PES for the ground electronic state of H3 is used and all values of total angular momentum between $J=0-4$ are included. The general vector potential approach is used to include the geometric phase. The rotationally resolved, vibrationally resolved, and total reaction rate coefficients are reported as a function of collision energy. Rotationally resolved differential cross sections are also reported as a function of collision energy and scattering angle. Large geometric phase effects appear in the ultracold reaction rate coefficients which result in a significant enhancement or suppression of the rate coefficient (up to 3 orders of magnitude) relative to calculations which ignore the geometric phase. The results are interpreted using a new quantum interference mechanism which is unique to ultracold collisions. Significant effects of the geometric phase also appear in the rotationally resolved differential cross sections which lead to a very different oscillatory structure in both energy and scattering angle. Several shape resonances occur in the 1–$$10\\,{\\rm{K}}$$ energy range and the geometric phase is shown to significantly alter the predicted resonance spectrum. The geometric phase effects and ultracold rate coefficients depend sensitively on the nuclear spin. Furthermore, experimentalists may be able to control the reaction by the selection of a particular nuclear spin state.« less