Local structure and oxide-ion conduction mechanism in apatite-type lanthanum silicates

NASA Astrophysics Data System (ADS)

Masson, Olivier; Berghout, Abid; Béchade, Emilie; Jouin, Jenny; Thomas, Philippe; Asaka, Toru; Fukuda, Koichiro

2017-12-01

The local structure of apatite-type lanthanum silicates of general formula La9.33+x(SiO4)6O2+3x/2 has been investigated by combining the atomic pair distribution function (PDF) method, conventional X-ray and neutron powder diffraction (NPD) data and density functional theory (DFT) calculations. DFT was used to build structure models with stable positions of excess oxide ions within the conduction channel. Two stable interstitial positions were obtained in accordance with literature, the first one located at the very periphery of the conduction channel, neighbouring the SiO4 tetrahedral units, and the second one closer to the channel axis. The corresponding PDFs and average structures were then calculated and tested against experimental PDFs obtained by X-ray total scattering and NPD Rietveld refinements results gathered from literature. It was shown that of the two stable interstitial positions obtained with DFT only the second one located within the channel is consistent with experimental data. This result consolidates one of the two main conduction mechanisms along the c-axis reported in the literature, namely the one involving cooperative movement of O4 and Oi ions.

On a partial differential equation method for determining the free energies and coexisting phase compositions of ternary mixtures from light scattering data.

PubMed

Ross, David S; Thurston, George M; Lutzer, Carl V

2008-08-14

In this paper we present a method for determining the free energies of ternary mixtures from light scattering data. We use an approximation that is appropriate for liquid mixtures, which we formulate as a second-order nonlinear partial differential equation. This partial differential equation (PDE) relates the Hessian of the intensive free energy to the efficiency of light scattering in the forward direction. This basic equation applies in regions of the phase diagram in which the mixtures are thermodynamically stable. In regions in which the mixtures are unstable or metastable, the appropriate PDE is the nonlinear equation for the convex hull. We formulate this equation along with continuity conditions for the transition between the two equations at cloud point loci. We show how to discretize this problem to obtain a finite-difference approximation to it, and we present an iterative method for solving the discretized problem. We present the results of calculations that were done with a computer program that implements our method. These calculations show that our method is capable of reconstructing test free energy functions from simulated light scattering data. If the cloud point loci are known, the method also finds the tie lines and tie triangles that describe thermodynamic equilibrium between two or among three liquid phases. A robust method for solving this PDE problem, such as the one presented here, can be a basis for optical, noninvasive means of characterizing the thermodynamics of multicomponent mixtures.

Coarse mesh and one-cell block inversion based diffusion synthetic acceleration

NASA Astrophysics Data System (ADS)

Kim, Kang-Seog

DSA (Diffusion Synthetic Acceleration) has been developed to accelerate the SN transport iteration. We have developed solution techniques for the diffusion equations of FLBLD (Fully Lumped Bilinear Discontinuous), SCB (Simple Comer Balance) and UCB (Upstream Corner Balance) modified 4-step DSA in x-y geometry. Our first multi-level method includes a block Gauss-Seidel iteration for the discontinuous diffusion equation, uses the continuous diffusion equation derived from the asymptotic analysis, and avoids void cell calculation. We implemented this multi-level procedure and performed model problem calculations. The results showed that the FLBLD, SCB and UCB modified 4-step DSA schemes with this multi-level technique are unconditionally stable and rapidly convergent. We suggested a simplified multi-level technique for FLBLD, SCB and UCB modified 4-step DSA. This new procedure does not include iterations on the diffusion calculation or the residual calculation. Fourier analysis results showed that this new procedure was as rapidly convergent as conventional modified 4-step DSA. We developed new DSA procedures coupled with 1-CI (Cell Block Inversion) transport which can be easily parallelized. We showed that 1-CI based DSA schemes preceded by SI (Source Iteration) are efficient and rapidly convergent for LD (Linear Discontinuous) and LLD (Lumped Linear Discontinuous) in slab geometry and for BLD (Bilinear Discontinuous) and FLBLD in x-y geometry. For 1-CI based DSA without SI in slab geometry, the results showed that this procedure is very efficient and effective for all cases. We also showed that 1-CI based DSA in x-y geometry was not effective for thin mesh spacings, but is effective and rapidly convergent for intermediate and thick mesh spacings. We demonstrated that the diffusion equation discretized on a coarse mesh could be employed to accelerate the transport equation. Our results showed that coarse mesh DSA is unconditionally stable and is as rapidly convergent as fine mesh DSA in slab geometry. For x-y geometry our coarse mesh DSA is very effective for thin and intermediate mesh spacings independent of the scattering ratio, but is not effective for purely scattering problems and high aspect ratio zoning. However, if the scattering ratio is less than about 0.95, this procedure is very effective for all mesh spacing.

Casein micelles and their internal structure.

PubMed

de Kruif, Cornelis G; Huppertz, Thom; Urban, Volker S; Petukhov, Andrei V

2012-01-01

The internal structure of casein micelles was studied by calculating the small-angle neutron and X-ray scattering and static light scattering spectrum (SANS, SAXS, SLS) as a function of the scattering contrast and composition. We predicted experimental SANS, SAXS, SLS spectra self consistently using independently determined parameters for composition size, polydispersity, density and voluminosity. The internal structure of the casein micelles, i.e. how the various components are distributed within the casein micelle, was modeled according to three different models advocated in the literature; i.e. the classical sub-micelle model, the nanocluster model and the dual binding model. In this paper we present the essential features of these models and combine new and old experimental SANS, SAXS, SLS and DLS scattering data with new calculations that predict the spectra. Further evidence on micellar substructure was obtained by internally cross linking the casein micelles using transglutaminase, which led to casein nanogel particles. In contrast to native casein micelles, the nanogel particles were stable in 6M urea and after sequestering the calcium using trisodium citrate. The changed scattering properties were again predicted self consistently. An important result is that the radius of gyration is independent of contrast, indicating that the mass distribution within a casein micelle is homogeneous. Experimental contrast is predicted quite well leading to a match point at a D(2)O volume fraction of 0.41 ratio in SANS. Using SANS and SAXS model calculations it is concluded that only the nanocluster model is capable of accounting for the experimental scattering contrast variation data. All features and trends are predicted self consistently, among which the 'famous' shoulder at a wave vector value Q=0.35 nm(-1) In the nanocluster model, the casein micelle is considered as a (homogeneous) matrix of caseins in which the colloidal calcium phosphate (CCP) nanoclusters are dispersed as very small (about 2 nm) "cherry stones" at an average distance of 18.6 nm. Attached to the surface of the nanoclusters are the centers of phosphorylation (3-5 nearby phosphorylated amino acid residues) of the caseins. The tails of the caseins, much larger than the CCP clusters, then associate to form a protein matrix, which can be viewed as polymer mesh with density fluctuations at the 2 nm scale. The association of the tails is driven by a collection of weak interactions. We explicitly use weak interactions as a collective term for hydrophobic interactions, hydrogen bonding, ion bonding, weak electrostatic Van der Waals attraction and other factors (but not the strong calcium phosphate interaction) leading to self association. The association is highly cooperative and originates in the weak interactions. It is the cooperativety that leads to a stable casein micelle. Invariably, κ-casein is thought to limit the process of self association leading to stabilization of the native casein micelle. Copyright © 2012 Elsevier B.V. All rights reserved.

Casein micelles and their internal structure

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

De Kruif, Cornelis G; Huppertz, Thom; Urban, Volker S

2012-01-01

The internal structure of casein micelles was studied by calculating the small-angle neutron and X-ray scattering and static light scattering spectrum (SANS, SAXS, SLS) as a function of the scattering contrast and composition. We predicted experimental SANS, SAXS, SLS spectra self consistently using independently determined parameters for composition size, polydispersity, density and voluminosity. The internal structure of the casein micelles, i.e. how the various components are distributed within the casein micelle, was modeled according to three different models advocated in the literature; i.e. the classical sub-micelle model, the nanocluster model and the dual binding model. In this paper we presentmore » the essential features of these models and combine new and old experimental SANS, SAXS, SLS and DLS scattering data with new calculations that predict the spectra. Further evidence on micellar substructure was obtained by internally cross linking the casein micelles using transglutaminase, which led to casein nanogel particles. In contrast to native casein micelles, the nanogel particles were stable in 6 M urea and after sequestering the calcium using trisodium citrate. The changed scattering properties were again predicted self consistently. An important result is that the radius of gyration is independent of contrast, indicating that the mass distribution within a casein micelle is homogeneous. Experimental contrast is predicted quite well leading to a match point at a D{sub 2}O volume fraction of 0.41 ratio in SANS. Using SANS and SAXS model calculations it is concluded that only the nanocluster model is capable of accounting for the experimental scattering contrast variation data. All features and trends are predicted self consistently, among which the 'famous' shoulder at a wave vector value Q = 0.35 nm{sup -1}. In the nanocluster model, the casein micelle is considered as a (homogeneous) matrix of caseins in which the colloidal calcium phosphate (CCP) nanoclusters are dispersed as very small (about 2 nm) 'cherry stones' at an average distance of 18.6 nm. Attached to the surface of the nanoclusters are the centers of phosphorylation (3-5 nearby phosphorylated amino acid residues) of the caseins. The tails of the caseins, much larger than the CCP clusters, then associate to form a protein matrix, which can be viewed as polymer mesh with density fluctuations at the 2 nm scale. The association of the tails is driven by a collection of weak interactions. We explicitly use weak interactions as a collective term for hydrophobic interactions, hydrogen bonding, ion bonding, weak electrostatic Van der Waals attraction and other factors (but not the strong calcium phosphate interaction) leading to self association. The association is highly cooperative and originates in the weak interactions. It is the cooperativety that leads to a stable casein micelle. Invariably, K-casein is thought to limit the process of self association leading to stabilization of the native casein micelle.« less

Structural and vibrational studies on 1-(5-methyl-[1,3,4] thiadiazol-2-yl)-pyrolidin-2-ol

NASA Astrophysics Data System (ADS)

Ramesh Babu, N.; Saleem, H.; Subashchandrabose, S.; Padusha, M. Syed Ali; Bharanidharan, S.

2016-01-01

FT-Raman and FT-IR spectra were recorded for1-(5-methyl-[1,3,4]thiadiazol-2-yl)-pyrolidin-2-ol (MTPN) sample in solid state. The equilibrium geometries, harmonic vibrational frequencies, IR and the Raman scattering intensities were computed using DFT/6-311++G (d,p) level. Results obtained at this level of theory were used for a detailed interpretation of the IR and Raman spectra, based on the TED of the normal modes. Molecular parameters such as bond lengths, bond angles and dihedral angles were calculated. The intra-molecular charge transfer was calculated by means of NBO. Hyperconjugative interaction energy was more during the π-π∗ transition. Energy gap of the molecule has been found using HOMO and LUMO calculation, hence the less band gap, which seems to be more stable.

A publicly available SSC+EC code.

NASA Astrophysics Data System (ADS)

Georganopoulos, M.; Perlman, E. S.; Kazanas, D.; Wingert, B.; Castro, R.

2004-08-01

We present a time-dependent one zone SSC+EC code that takes into account the KN-cross section, and calculates self-consistently all orders of Compton scattering. In particular, it produces separate results for the first order Compton component, and for the total Compton emission. The kinetic equation is solved using a stable implicit scheme, and the user can select from a range of physically motivated temporal electron injection profile. The code is written in C, is fully documented and will soon be publicly available through the Internet, along with a set of IDL visualization routines.

Influence of defect distribution on the thermoelectric properties of FeNbSb based materials.

PubMed

Guo, Shuping; Yang, Kaishuai; Zeng, Zhi; Zhang, Yongsheng

2018-05-21

Doping and alloying are important methodologies to improve the thermoelectric performance of FeNbSb based materials. To fully understand the influence of point defects on the thermoelectric properties, we have used density functional calculations in combination with the cluster expansion and Monte Carlo methods to examine the defect distribution behaviors in the mesoscopic FeNb1-xVxSb and FeNb1-xTixSb systems. We find that V and Ti exhibit different distribution behaviors in FeNbSb at low temperature: forming the FeNbSb-FeVSb phase separations in the FeNb1-xVxSb system but two thermodynamically stable phases in FeNb1-xTixSb. Based on the calculated effective mass and band degeneracy, it seems the doping concentration of V or Ti in FeNbSb has little effect on the electrical properties, except for one of the theoretically predicted stable Ti phases (Fe6Nb5Ti1Sb6). Thus, an essential methodology to improve the thermoelectric performance of FeNbSb should rely on phonon scattering to decrease the thermal conductivity. According to the theoretically determined phase diagrams of Fe(Nb,V)Sb and Fe(Nb,Ti)Sb, we propose the (composition, temperature) conditions for the experimental synthesis to improve the thermoelectric performance of FeNbSb based materials: lowering the experimental preparation temperature to around the phase boundary to form a mixture of the solid solution and phase separation. The point defects in the solid solution effectively scatter the short-wavelength phonons and the (coherent or incoherent) interfaces introduced by the phase separation can additionally scatter the middle-wavelength phonons to further decrease the thermal conductivity. Moreover, the induced interfaces could enhance the Seebeck coefficient as well, through the energy filtering effect. Our results give insight into the understanding of the impact of the defect distribution on the thermoelectric performance of materials and strengthen the connection between theoretical predictions and experimental measurements.

Scattering processes and resonances from lattice QCD

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

Briceno, Raul A.; Dudek, Jozef J.; Young, Ross D.

The vast majority of hadrons observed in nature are not stable under the strong interaction; rather they are resonances whose existence is deduced from enhancements in the energy dependence of scattering amplitudes. The study of hadron resonances offers a window into the workings of quantum chromodynamics (QCD) in the low-energy nonperturbative region, and in addition many probes of the limits of the electroweak sector of the standard model consider processes which feature hadron resonances. From a theoretical standpoint, this is a challenging field: the same dynamics that binds quarks and gluons into hadron resonances also controls their decay into lightermore » hadrons, so a complete approach to QCD is required. Presently, lattice QCD is the only available tool that provides the required nonperturbative evaluation of hadron observables. This paper reviews progress in the study of few-hadron reactions in which resonances and bound states appear using lattice QCD techniques. The leading approach is described that takes advantage of the periodic finite spatial volume used in lattice QCD calculations to extract scattering amplitudes from the discrete spectrum of QCD eigenstates in a box. An explanation is given of how from explicit lattice QCD calculations one can rigorously garner information about a variety of resonance properties, including their masses, widths, decay couplings, and form factors. Finally, the challenges which currently limit the field are discussed along with the steps being taken to resolve them.« less

Scattering processes and resonances from lattice QCD

NASA Astrophysics Data System (ADS)

Briceño, Raúl A.; Dudek, Jozef J.; Young, Ross D.

2018-04-01

The vast majority of hadrons observed in nature are not stable under the strong interaction; rather they are resonances whose existence is deduced from enhancements in the energy dependence of scattering amplitudes. The study of hadron resonances offers a window into the workings of quantum chromodynamics (QCD) in the low-energy nonperturbative region, and in addition many probes of the limits of the electroweak sector of the standard model consider processes which feature hadron resonances. From a theoretical standpoint, this is a challenging field: the same dynamics that binds quarks and gluons into hadron resonances also controls their decay into lighter hadrons, so a complete approach to QCD is required. Presently, lattice QCD is the only available tool that provides the required nonperturbative evaluation of hadron observables. This article reviews progress in the study of few-hadron reactions in which resonances and bound states appear using lattice QCD techniques. The leading approach is described that takes advantage of the periodic finite spatial volume used in lattice QCD calculations to extract scattering amplitudes from the discrete spectrum of QCD eigenstates in a box. An explanation is given of how from explicit lattice QCD calculations one can rigorously garner information about a variety of resonance properties, including their masses, widths, decay couplings, and form factors. The challenges which currently limit the field are discussed along with the steps being taken to resolve them.

Scattering processes and resonances from lattice QCD

DOE PAGES

Briceno, Raul A.; Dudek, Jozef J.; Young, Ross D.

2018-04-18

The vast majority of hadrons observed in nature are not stable under the strong interaction; rather they are resonances whose existence is deduced from enhancements in the energy dependence of scattering amplitudes. The study of hadron resonances offers a window into the workings of quantum chromodynamics (QCD) in the low-energy nonperturbative region, and in addition many probes of the limits of the electroweak sector of the standard model consider processes which feature hadron resonances. From a theoretical standpoint, this is a challenging field: the same dynamics that binds quarks and gluons into hadron resonances also controls their decay into lightermore » hadrons, so a complete approach to QCD is required. Presently, lattice QCD is the only available tool that provides the required nonperturbative evaluation of hadron observables. This paper reviews progress in the study of few-hadron reactions in which resonances and bound states appear using lattice QCD techniques. The leading approach is described that takes advantage of the periodic finite spatial volume used in lattice QCD calculations to extract scattering amplitudes from the discrete spectrum of QCD eigenstates in a box. An explanation is given of how from explicit lattice QCD calculations one can rigorously garner information about a variety of resonance properties, including their masses, widths, decay couplings, and form factors. Finally, the challenges which currently limit the field are discussed along with the steps being taken to resolve them.« less

Combined experimental and computational study of high-pressure behavior of triphenylene

PubMed Central

Zhao, Xiao-Miao; Zhong, Guo-Hua; Zhang, Jiang; Huang, Qiao-Wei; Goncharov, Alexander F.; Lin, Hai-Qing; Chen, Xiao-Jia

2016-01-01

We have performed measurements of Raman scattering, synchrotron x-ray diffraction, and visible transmission spectroscopy combined with density functional theory calculations to study the pressure effect on solid triphenylene. The spectroscopic results demonstrate substantial change of the molecular configuration at 1.4 GPa from the abrupt change of splitting, disappearance, and appearance of some modes. The structure of triphenylene is found be to stable at high pressures without any evidence of structural transition from the x-ray diffraction patterns. The obtained lattice parameters show a good agreement between experiments and calculations. The obtained band gap systematically decreases with increasing pressure. With the application of pressure, the molecular planes become more and more parallel relative to each other. The theoretical calculations indicate that this organic compound becomes metallic at 180 GPa, fueling the hope for the possible realization of superconductivity at high pressure. PMID:27161429

Classical Calculations of Scattering Signatures from a Gravitational Singularity or the Scattering and Absorption Cross-Sections of a Black Hole

NASA Astrophysics Data System (ADS)

Difilippo, Felix C.

2012-09-01

Within the context of general relativity theory we calculate, analytically, scattering signatures around a gravitational singularity: angular and time distributions of scattered massive objects and photons and the time and space modulation of Doppler effects. Additionally, the scattering and absorption cross sections for the gravitational interactions are calculated. The results of numerical simulations of the trajectories are compared with the analytical results.

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...

Calculating Rayleigh scattering amplitudes from 100 eV to 10 MeV. [100 eV to 10 MeV

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

Parker, J.C.; Reynaud, G.W.; Botto, D.J.

1979-05-01

An attempt is made to explain how to calculate the contribution to elastic photon-atom scattering due to Rayleigh scattering (the scattering off bound electrons) in the photon energy range 100 eV less than or equal to W less than or equal to 10 MeV. All intermediate calculations are described, including the calculation of the potential, bound state wave functions, matrix elements, and final cross sections. 12 references. (JFP)

FT-Raman, FT-IR spectra and total energy distribution of 3-pentyl-2,6-diphenylpiperidin-4-one: DFT method.

PubMed

Subashchandrabose, S; Saleem, H; Erdogdu, Y; Rajarajan, G; Thanikachalam, V

2011-11-01

FT-Raman and FT-IR spectra were recorded for 3-pentyl-2,6-diphenylpiperidin-4-one (PDPO) sample in solid state. The equilibrium geometries, harmonic vibrational frequencies, infrared and the Raman scattering intensities were computed using DFT/6-31G(d,p) level. Results obtained at this level of theory were used for a detailed interpretation of the infrared and Raman spectra, based on the total energy distribution (TED) of the normal modes. Molecular parameters such as bond lengths, bond angles and dihedral angles were calculated and compared with X-ray diffraction data. This comparison was good agreement. The intra-molecular charge transfer was calculated by means of natural bond orbital analysis (NBO). Hyperconjugative interaction energy was more during the π-π* transition. Energy gap of the molecule was found using HOMO and LUMO calculation, hence the less band gap, which seems to be more stable. Atomic charges of the carbon, nitrogen and oxygen were calculated using same level of calculation. Copyright © 2011 Elsevier B.V. All rights reserved.

Angular dependence of Raman scattering selection rules for long-wavelength optical phonons in short-period GaAs/AlAs superlattices

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

Volodin, V. A., E-mail: volodin@isp.nsc.ru; Sachkov, V. A.; Sinyukov, M. P.

2016-07-15

The angular dependence of Raman scattering selection rules for optical phonons in short-period (001) GaAs/AlAs superlattices is calculated and experimentally studied. Experiments are performed using a micro-Raman setup, in the scattering geometry with the wavevectors of the incident and scattered light lying in the plane of superlattices (so-called in-plane geometry). Phonon frequencies are calculated using the Born model taking the Coulomb interaction into account in the rigid-ion approximation. Raman scattering spectra are calculated in the framework of the deformation potential and electro-optical mechanisms. Calculations show an angular dependence of the selection rules for optical phonons with different directions of themore » wavevectors. Drastic differences in the selection rules are found for experimental and calculated spectra. Presumably, these differences are due to the Fröhlich mechanism in Raman scattering for short-period superlattices.« less

A New Approach to Estimate Forest Parameters Using Dual-Baseline Pol-InSAR Data

NASA Astrophysics Data System (ADS)

Bai, L.; Hong, W.; Cao, F.; Zhou, Y.

2009-04-01

In POL-InSAR applications using ESPRIT technique, it is assumed that there exist stable scattering centres in the forest. However, the observations in forest severely suffer from volume and temporal decorrelation. The forest scatters are not stable as assumed. The obtained interferometric information is not accurate as expected. Besides, ESPRIT techniques could not identify the interferometric phases corresponding to the ground and the canopy. It provides multiple estimations for the height between two scattering centers due to phase unwrapping. Therefore, estimation errors are introduced to the forest height results. To suppress the two types of errors, we use the dual-baseline POL-InSAR data to estimate forest height. Dual-baseline coherence optimization is applied to obtain interferometric information of stable scattering centers in the forest. From the interferometric phases for different baselines, estimation errors caused by phase unwrapping is solved. Other estimation errors can be suppressed, too. Experiments are done to the ESAR L band POL-InSAR data. Experimental results show the proposed methods provide more accurate forest height than ESPRIT technique.

Quantitative analysis of the polarization characteristics of atherosclerotic plaques

NASA Astrophysics Data System (ADS)

Gubarkova, Ekaterina V.; Kirillin, Michail Y.; Dudenkova, Varvara V.; Kiseleva, Elena B.; Moiseev, Alexander A.; Gelikonov, Grigory V.; Timofeeva, Lidia B.; Fiks, Ilya I.; Feldchtein, Felix I.; Gladkova, Natalia D.

2016-04-01

In this study we demonstrate the capability of cross-polarization optical coherence tomography (CP OCT) to assess collagen and elastin fibers condition in atherosclerotic plaques basing on ratio of the OCT signal levels in cross- and co- polarizations. We consider the depolarization factor (DF) and the effective birefringence (Δn) as quantitative characteristics of CP OCT images. We revealed that calculation of both DF and Δn in the region of interest (fibrous cap) yields a statistically significant difference between stable and unstable plaques (0.46+/-0.21 vs 0.09+/-0.04 for IDF; (4.7+/-1.0)•10-4 vs (2.5+/-0.7)•10-4 for Δn p<0.05). In parallel with CP OCT we used the nonlinear microscopy for analysis of thin cross-section of atherosclerotic plaque, revealing the different average isotropy index of collagen and elastin fibers for stable and unstable plaques (0.30 +/- 0.10 vs 0.70 +/- 0.08; p<0.001). The proposed approach for quantitative assessment of CP OCT images allows cross-scattering and birefringence characterization of stable and unstable atherosclerotic plaques.

Errors induced by the neglect of polarization in radiance calculations for Rayleigh-scattering atmospheres

NASA Technical Reports Server (NTRS)

Mishchenko, M. I.; Lacis, A. A.; Travis, L. D.

1994-01-01

Although neglecting polarization and replacing the rigorous vector radiative transfer equation by its approximate scalar counterpart has no physical background, it is a widely used simplification when the incident light is unpolarized and only the intensity of the reflected light is to be computed. We employ accurate vector and scalar multiple-scattering calculations to perform a systematic study of the errors induced by the neglect of polarization in radiance calculations for a homogeneous, plane-parallel Rayleigh-scattering atmosphere (with and without depolarization) above a Lambertian surface. Specifically, we calculate percent errors in the reflected intensity for various directions of light incidence and reflection, optical thicknesses of the atmosphere, single-scattering albedos, depolarization factors, and surface albedos. The numerical data displayed can be used to decide whether or not the scalar approximation may be employed depending on the parameters of the problem. We show that the errors decrease with increasing depolarization factor and/or increasing surface albedo. For conservative or nearly conservative scattering and small surface albedos, the errors are maximum at optical thicknesses of about 1. The calculated errors may be too large for some practical applications, and, therefore, rigorous vector calculations should be employed whenever possible. However, if approximate scalar calculations are used, we recommend to avoid geometries involving phase angles equal or close to 0 deg and 90 deg, where the errors are especially significant. We propose a theoretical explanation of the large vector/scalar differences in the case of Rayleigh scattering. According to this explanation, the differences are caused by the particular structure of the Rayleigh scattering matrix and come from lower-order (except first-order) light scattering paths involving right scattering angles and right-angle rotations of the scattering plane.

Enhanced backscattering of optical waves due to densely distributed scatterers

NASA Astrophysics Data System (ADS)

Ma, Yushieh; Varadan, Vijay K.; Varadan, Vasundara V.

1988-01-01

Using multiple scattering theory, the T matrix of a pair of scatterers which takes all back-and-forth scattering between the pair members into account and considers multiple scattering effects in the intensity calculation is used to calculate the magnitude and the width of the backscattered intensity peak. Generally, at low concentrations, both the magnitude of the scattered intensity and multiple scattering contributions are not sufficiently strong to reach the enhanced-backscattering threshold. The results obtained are consistent with those yielded by optical experiments.

SU-F-T-142: An Analytical Model to Correct the Aperture Scattered Dose in Clinical Proton Beams

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

Sun, B; Liu, S; Zhang, T

2016-06-15

Purpose: Apertures or collimators are used to laterally shape proton beams in double scattering (DS) delivery and to sharpen the penumbra in pencil beam (PB) delivery. However, aperture-scattered dose is not included in the current dose calculations of treatment planning system (TPS). The purpose of this study is to provide a method to correct the aperture-scattered dose based on an analytical model. Methods: A DS beam with a non-divergent aperture was delivered using a single-room proton machine. Dose profiles were measured with an ion-chamber scanning in water and a 2-D ion chamber matrix with solid-water buildup at various depths. Themore » measured doses were considered as the sum of the non-contaminated dose and the aperture-scattered dose. The non-contaminated dose was calculated by TPS and subtracted from the measured dose. Aperture scattered-dose was modeled as a 1D Gaussian distribution. For 2-D fields, to calculate the scatter-dose from all the edges of aperture, a sum of weighted distance was used in the model based on the distance from calculation point to aperture edge. The gamma index was calculated between the measured and calculated dose with and without scatter correction. Results: For a beam with range of 23 cm and aperture size of 20 cm, the contribution of the scatter horn was ∼8% of the total dose at 4 cm depth and diminished to 0 at 15 cm depth. The amplitude of scatter-dose decreased linearly with the depth increase. The 1D gamma index (2%/2 mm) between the calculated and measured profiles increased from 63% to 98% for 4 cm depth and from 83% to 98% at 13 cm depth. The 2D gamma index (2%/2 mm) at 4 cm depth has improved from 78% to 94%. Conclusion: Using the simple analytical method the discrepancy between the measured and calculated dose has significantly improved.« less

Quantum Monte Carlo calculation of neutral-current ν -12C inclusive quasielastic scattering

NASA Astrophysics Data System (ADS)

Lovato, A.; Gandolfi, S.; Carlson, J.; Lusk, Ewing; Pieper, Steven C.; Schiavilla, R.

2018-02-01

Quasielastic neutrino scattering is an important aspect of the experimental program to study fundamental neutrino properties including neutrino masses, mixing angles, mass hierarchy, and charge-conjugation parity (CP)- violating phase. Proper interpretation of the experiments requires reliable theoretical calculations of neutrino-nucleus scattering. In this paper we present calculations of response functions and cross sections by neutral-current scattering of neutrinos off 12C. These calculations are based on realistic treatments of nuclear interactions and currents, the latter including the axial, vector, and vector-axial interference terms crucial for determining the difference between neutrino and antineutrino scattering and the CP-violating phase. We find that the strength and energy dependence of two-nucleon processes induced by correlation effects and interaction currents are crucial in providing the most accurate description of neutrino-nucleus scattering in the quasielastic regime.

Influence of diffuse reflectance measurement accuracy on the scattering coefficient in determination of optical properties with integrating sphere optics (a secondary publication).

PubMed

Horibe, Takuro; Ishii, Katsunori; Fukutomi, Daichi; Awazu, Kunio

2015-12-30

An estimation error of the scattering coefficient of hemoglobin in the high absorption wavelength range has been observed in optical property calculations of blood-rich tissues. In this study, the relationship between the accuracy of diffuse reflectance measurement in the integrating sphere and calculated scattering coefficient was evaluated with a system to calculate optical properties combined with an integrating sphere setup and the inverse Monte Carlo simulation. Diffuse reflectance was measured with the integrating sphere using a small incident port diameter and optical properties were calculated. As a result, the estimation error of the scattering coefficient was improved by accurate measurement of diffuse reflectance. In the high absorption wavelength range, the accuracy of diffuse reflectance measurement has an effect on the calculated scattering coefficient.

Discussion on the energy content of the galactic dark matter Bose-Einstein condensate halo in the Thomas-Fermi approximation

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

De Souza, J.C.C.; Pires, M.O.C., E-mail: jose.souza@ufabc.edu.br, E-mail: marcelo.pires@ufabc.edu.br

We show that the galactic dark matter halo, considered composed of an axionlike particles Bose-Einstein condensate [6] trapped by a self-graviting potential [5], may be stable in the Thomas-Fermi approximation since appropriate choices for the dark matter particle mass and scattering length are made. The demonstration is performed by means of the calculation of the potential, kinetic and self-interaction energy terms of a galactic halo described by a Boehmer-Harko density profile. We discuss the validity of the Thomas-Fermi approximation for the halo system, and show that the kinetic energy contribution is indeed negligible.

Backflow and dissipation during the quantum decay of a metastable Fermi liquid

NASA Astrophysics Data System (ADS)

Iida, Kei

1999-02-01

The particle current in a metastable Fermi liquid against a first-order phase transition is calculated at zero temperature. During fluctuations of a droplet of the stable phase, in accordance with the conservation law, not only does an unperturbed current arise from the continuity at the boundary, but a backflow is induced by the density response. Quasiparticles carrying these currents are scattered by the boundary, yielding a dissipative backflow around the droplet. An energy of the hydrodynamic mass flow of the liquid and a friction force exerted on the droplet by the quasiparticles have been obtained in terms of a potential of their interaction with the droplet.

A new method for calculating number concentrations of cloud condensation nuclei based on measurements of a three-wavelength humidified nephelometer system

NASA Astrophysics Data System (ADS)

Tao, Jiangchuan; Zhao, Chunsheng; Kuang, Ye; Zhao, Gang; Shen, Chuanyang; Yu, Yingli; Bian, Yuxuan; Xu, Wanyun

2018-02-01

The number concentration of cloud condensation nuclei (CCN) plays a fundamental role in cloud physics. Instrumentations of direct measurements of CCN number concentration (NCCN) based on chamber technology are complex and costly; thus a simple way for measuring NCCN is needed. In this study, a new method for NCCN calculation based on measurements of a three-wavelength humidified nephelometer system is proposed. A three-wavelength humidified nephelometer system can measure the aerosol light-scattering coefficient (σsp) at three wavelengths and the light-scattering enhancement factor (fRH). The Ångström exponent (Å) inferred from σsp at three wavelengths provides information on mean predominate aerosol size, and hygroscopicity parameter (κ) can be calculated from the combination of fRH and Å. Given this, a lookup table that includes σsp, κ and Å is established to predict NCCN. Due to the precondition for the application, this new method is not suitable for externally mixed particles, large particles (e.g., dust and sea salt) or fresh aerosol particles. This method is validated with direct measurements of NCCN using a CCN counter on the North China Plain. Results show that relative deviations between calculated NCCN and measured NCCN are within 30 % and confirm the robustness of this method. This method enables simplerNCCN measurements because the humidified nephelometer system is easily operated and stable. Compared with the method using a CCN counter, another advantage of this newly proposed method is that it can obtain NCCN at lower supersaturations in the ambient atmosphere.

Direct Calculation of the Scattering Amplitude Without Partial Wave Decomposition. III; Inclusion of Correlation Effects

NASA Technical Reports Server (NTRS)

Shertzer, Janine; Temkin, Aaron

2007-01-01

In the first two papers in this series, we developed a method for studying electron-hydrogen scattering that does not use partial wave analysis. We constructed an ansatz for the wave function in both the static and static exchange approximations and calculated the full scattering amplitude. Here we go beyond the static exchange approximation, and include correlation in the wave function via a modified polarized orbital. This correlation function provides a significant improvement over the static exchange approximation: the resultant elastic scattering amplitudes are in very good agreement with fully converged partial wave calculations for electron-hydrogen scattering. A fully variational modification of this approach is discussed in the conclusion of the article Popular summary of Direct calculation of the scattering amplitude without partial wave expansion. III ....." by J. Shertzer and A. Temkin. In this paper we continue the development of In this paper we continue the development of a new approach to the way in which researchers have traditionally used to calculate the scattering cross section of (low-energy) electrons from atoms. The basic mathematical problem is to solve the Schroedinger Equation (SE) corresponding the above physical process. Traditionally it was always the case that the SE was reduced to a sequence of one-dimensional (ordinary) differential equations - called partial waves which were solved and from the solutions "phase shifts" were extracted, from which the scattering cross section was calculated.

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

Bunkin, N F; Shkirin, A V; Burkhanov, I S

Aqueous NaCl solutions with different concentrations have been investigated by dynamic scattering of laser radiation. It is experimentally shown that these solutions contain scattering particles with a wide size distribution in a range of ∼10 – 100 nm. The experimental results indirectly confirm the existence of quasi-stable gas nanobubbles in the bulk of aqueous ionic solutions. (light scattering)

Interior radiances in optically deep absorbing media. III Scattering from Haze L

NASA Technical Reports Server (NTRS)

Kattawar, G. W.; Plass, G. N.

1975-01-01

The interior radiances are calculated within an optically deep absorbing medium scattering according to the Haze L phase function. The dependence on the solar zenith angle, the single scattering albedo, and the optical depth within the medium is calculated by the matrix operator method. The development of the asymptotic angular distribution of the radiance in the diffusion region is illustrated through a number of examples; it depends only on the single scattering albedo and on the phase function for single scattering. The exact values of the radiance in the diffusion region are compared with values calculated from the approximate equations proposed by Van de Hulst. The variation of the radiance near the lower boundary of an optically thick medium is illustrated with examples. The attenuation length is calculated for various single scattering albedos and compared with the corresponding values for Rayleigh scattering. The ratio of the upward to the downward flux is found to be remarkably constant within the medium.

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.

Extension of geometrical-optics approximation to on-axis Gaussian beam scattering. I. By a spherical particle.

PubMed

Xu, Feng; Ren, Kuan Fang; Cai, Xiaoshu

2006-07-10

The geometrical-optics approximation of light scattering by a transparent or absorbing spherical particle is extended from plane wave to Gaussian beam incidence. The formulas for the calculation of the phase of each ray and the divergence factor are revised, and the interference of all the emerging rays is taken into account. The extended geometrical-optics approximation (EGOA) permits one to calculate the scattering diagram in all directions from 0 degrees to 180 degrees. The intensities of the scattered field calculated by the EGOA are compared with those calculated by the generalized Lorenz-Mie theory, and good agreement is found. The surface wave effect in Gaussian beam scattering is also qualitatively analyzed by introducing a flux ratio factor. The approach proposed is particularly important to the further extension of the geometrical-optics approximation to the scattering of large spheroidal particles.

Quantum Monte Carlo calculation of neutral-current ν - C 12 inclusive quasielastic scattering

DOE PAGES

Lovato, A.; Gandolfi, S.; Carlson, J.; ...

2018-02-28

Quasielastic neutrino scattering is an important aspect of the experimental program to study fundamental neutrino properties including neutrino masses, mixing angles, the mass hierarchy and CP-violating phase. Proper interpretation of the experiments requires reliable theoretical calculations of neutrino-nucleus scattering. In this paper we present calculations of response functions and cross sections by neutral-current scattering of neutrinos offmore » $$^{12}$$C. These calculations are based on realistic treatments of nuclear interactions and currents, the latter including the axial, vector, and vector-axial interference terms crucial for determining the difference between neutrino and anti-neutrino scattering and the CP-violating phase. Here in this paper, we find that the strength and energy-dependence of two-nucleon processes induced by correlation effects and interaction currents are crucial in providing the most accurate description of neutrino-nucleus scattering in the quasielastic regime.« less

Quantum Monte Carlo calculation of neutral-current ν - C 12 inclusive quasielastic scattering

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

Lovato, A.; Gandolfi, S.; Carlson, J.

Quasielastic neutrino scattering is an important aspect of the experimental program to study fundamental neutrino properties including neutrino masses, mixing angles, the mass hierarchy and CP-violating phase. Proper interpretation of the experiments requires reliable theoretical calculations of neutrino-nucleus scattering. In this paper we present calculations of response functions and cross sections by neutral-current scattering of neutrinos offmore » $$^{12}$$C. These calculations are based on realistic treatments of nuclear interactions and currents, the latter including the axial, vector, and vector-axial interference terms crucial for determining the difference between neutrino and anti-neutrino scattering and the CP-violating phase. Here in this paper, we find that the strength and energy-dependence of two-nucleon processes induced by correlation effects and interaction currents are crucial in providing the most accurate description of neutrino-nucleus scattering in the quasielastic regime.« less

Multi-Scale Scattering Transform in Music Similarity Measuring

NASA Astrophysics Data System (ADS)

Wang, Ruobai

Scattering transform is a Mel-frequency spectrum based, time-deformation stable method, which can be used in evaluating music similarity. Compared with Dynamic time warping, it has better performance in detecting similar audio signals under local time-frequency deformation. Multi-scale scattering means to combine scattering transforms of different window lengths. This paper argues that, multi-scale scattering transform is a good alternative of dynamic time warping in music similarity measuring. We tested the performance of multi-scale scattering transform against other popular methods, with data designed to represent different conditions.

Monolayer graphene on nanostructured Ag for enhancement of surface-enhanced Raman scattering stable platform

NASA Astrophysics Data System (ADS)

Dai, Zhigao; Mei, Fei; Xiao, Xiangheng; Liao, Lei; Wu, Wei; Zhang, Yupeng; Ying, Jianjian; Wang, Lingbo; Ren, Feng; Jiang, Changzhong

2015-03-01

We have reported that the Ag nanostructure-based substrate is particularly suitable for surface-enhanced Raman scattering when it is coated with monolayer graphene, an optically transparent and chemistry-inertness material in the visible range. Ag bowtie nanoantenna arrays and Ag nanogrids were fabricated using plasma-assisted nanosphere lithography. Our measurements show that atmospheric sulfur containing compounds are powerless to break in the monolayer graphene to vulcanize the surfaces of the Ag bowtie nanoantenna arrays and Ag nanogrids by various means, including scanning electron microscopy (SEM) and x-ray photoelectron spectroscopy (XPS). Furthermore, the Ag nanostructure substrate coated with the monolayer graphene film shows a larger enhancement of Raman activity and the electromagnetic field than the uncoated substrate. Compared with those of bare Ag nanostructures, the averaged EFs of graphene-film-coated Ag nanostructures were estimated to be about 21 and 5 for Ag bowtie nanoantenna arrays and nanogrids after one month later in air, respectively. These observations are further supported by theoretical calculations.

Scattering calculations and confining interactions

NASA Technical Reports Server (NTRS)

Buck, Warren W.; Maung, Khin M.

1993-01-01

Most of the research work performed under this grant were concerned with strong interaction processes ranging from kaon-nucleon interaction to proton-nucleus scattering calculations. Research performed under this grant can be categorized into three groups: (1) parametrization of fundamental interactions, (2) development of formal theory, and (3) calculations based upon the first two. Parametrizations of certain fundamental interactions, such as kaon-nucleon interaction, for example, were necessary because kaon-nucleon scattering amplitude was needed to perform kaon-nucleus scattering calculations. It was possible to calculate kaon-nucleon amplitudes from the first principle, but it was unnecessary for the purpose of the project. Similar work was also done for example for anti-protons and anti-nuclei. Formal developments to some extent were also pursued so that consistent calculations can be done.

Raman scattering-based multiconformational analysis for probing the structural differences between acetylcholine and acetylthiocholine.

PubMed

Hernández, Belén; Houzé, Pascal; Pflüger, Fernando; Kruglik, Sergei G; Ghomi, Mahmoud

2017-05-10

Acetylcholine is the first discovered neurotransmitter that has received a great attention regarding its capability of binding to several cellular targets. The chemical composition of acetylcholine, including a positively charged trimethylammonium and a carbonyl group, as well as its conformational flexibility was pointed out as the key factors in the stabilization of its interactions. Here, the possibilities offered by a Raman scattering-based multiconformatioal analysis to access the most stable conformers of acetylcholine, is discussed. To control the validity of this protocol, acetylcholine and one of its closely structured analogues, acetylthiocholine, were simultaneously analyzed. Solution Raman spectra revealed distinct and well resolved strong markers for each molecule. Density functional theory calculations were consistent with the fact that the energy order of the low energy conformers is considerably affected by the acyloxy oxygen→sulfur atom substitution. Raman spectra were calculated on the basis of the thermal average of the spectra arising from the low energy conformers. It has been evidenced that the carbonyl and trimethylammonium groups are the most favorable hydration sites in aqueous environment. Taking into account the large gap between the carbonyl bond-stretch and aliphatic bending bands, Raman spectra also allowed separation of the HOH bending vibrations arising from the bound and bulk water molecules. Copyright © 2017 Elsevier B.V. All rights reserved.

Interior radiances in optically deep absorbing media. 3: Scattering from Haze L

NASA Technical Reports Server (NTRS)

Kattawar, G. W.; Plass, G. N.

1974-01-01

The interior radiances are calculated within an optically deep absorbing medium scattering according to the Haze L phase function. The dependence on the solar zenith angle, the single scattering albedo, and the optical depth within the medium is calculated by the matrix operator method. The development of the asymptotic angular distribution of the radiance in the diffusion region is illustrated through a number of examples; it depends only on the single scattering albedo and on the phase function for single scattering. The exact values of the radiance in the diffusion region are compared with values calculated from the approximate equations proposed by Van de Hulst. The variation of the radiance near the lower boundary of an optically thick medium is illustrated with examples. The attenuation length is calculated for various single scattering albedos and compared with the corresponding values for Rayleigh scattering. The ratio of the upward to the downward flux is found to be remarkably constant within the medium. The heating rate is calculated and found to have a maximum value at an optical depth of two within a Haze L layer when the sun is at the zenith.

Monte Carlo calculation of large and small-angle electron scattering in air

NASA Astrophysics Data System (ADS)

Cohen, B. I.; Higginson, D. P.; Eng, C. D.; Farmer, W. A.; Friedman, A.; Grote, D. P.; Larson, D. J.

2017-11-01

A Monte Carlo method for angle scattering of electrons in air that accommodates the small-angle multiple scattering and larger-angle single scattering limits is introduced. The algorithm is designed for use in a particle-in-cell simulation of electron transport and electromagnetic wave effects in air. The method is illustrated in example calculations.

Calculation of the Full Scattering Amplitude without Partial Wave Decomposition. 2; Inclusion of Exchange

NASA Technical Reports Server (NTRS)

Shertzer, Janine; Temkin, Aaron

2004-01-01

The development of a practical method of accurately calculating the full scattering amplitude, without making a partial wave decomposition is continued. The method is developed in the context of electron-hydrogen scattering, and here exchange is dealt with by considering e-H scattering in the static exchange approximation. The Schroedinger equation in this approximation can be simplified to a set of coupled integro-differential equations. The equations are solved numerically for the full scattering wave function. The scattering amplitude can most accurately be calculated from an integral expression for the amplitude; that integral can be formally simplified, and then evaluated using the numerically determined wave function. The results are essentially identical to converged partial wave results.

A Quantitative Test of the Applicability of Independent Scattering to High Albedo Planetary Regoliths

NASA Technical Reports Server (NTRS)

Goguen, Jay D.

1993-01-01

To test the hypothesis that the independent scattering calculation widely used to model radiative transfer in atmospheres and clouds will give a useful approximation to the intensity and linear polarization of visible light scattered from an optically thick surface of transparent particles, laboratory measurements are compared to the independent scattering calculation for a surface of spherical particles with known optical constants and size distribution. Because the shape, size distribution, and optical constants of the particles are known, the independent scattering calculation is completely determined and the only remaining unknown is the net effect of the close packing of the particles in the laboratory sample surface...

Numerical Green's functions in optical potential calculations for positron scattering from argon and neon

NASA Technical Reports Server (NTRS)

Bartschat, K.; Mceachran, R. P.; Stauffer, A. D.

1990-01-01

An optical potential method was applied to the calculation of positron scattering from the noble gases in order to determine the effect of open excitation channels on the shape of differential scattering cross sections.

Ab initio study of MF2 (M=Mn, Fe, Co, Ni) rutile-type compounds using the periodic unrestricted Hartree-Fock approach

NASA Astrophysics Data System (ADS)

de P. R. Moreira, Ibério; Dovesi, Roberto; Roetti, Carla; Saunders, Victor R.; Orlando, Roberto

2000-09-01

The ab initio periodic unrestricted Hartree-Fock method has been applied in the investigation of the ground-state structural, electronic, and magnetic properties of the rutile-type compounds MF2 (M=Mn, Fe, Co, and Ni). All electron Gaussian basis sets have been used. The systems turn out to be large band-gap antiferromagnetic insulators; the optimized geometrical parameters are in good agreement with experiment. The calculated most stable electronic state shows an antiferromagnetic order in agreement with that resulting from neutron scattering experiments. The magnetic coupling constants between nearest-neighbor magnetic ions along the [001], [111], and [100] (or [010]) directions have been calculated using several supercells. The resulting ab initio magnetic coupling constants are reasonably satisfactory when compared with available experimental data. The importance of the Jahn-Teller effect in FeF2 and CoF2 is also discussed.

Monte Carlo calculation of large and small-angle electron scattering in air

DOE PAGES

Cohen, B. I.; Higginson, D. P.; Eng, C. D.; ...

2017-08-12

A Monte Carlo method for angle scattering of electrons in air that accommodates the small-angle multiple scattering and larger-angle single scattering limits is introduced. In this work, the algorithm is designed for use in a particle-in-cell simulation of electron transport and electromagnetic wave effects in air. The method is illustrated in example calculations.

String scattering amplitudes and deformed cubic string field theory

NASA Astrophysics Data System (ADS)

Lai, Sheng-Hong; Lee, Jen-Chi; Lee, Taejin; Yang, Yi

2018-01-01

We study string scattering amplitudes by using the deformed cubic string field theory which is equivalent to the string field theory in the proper-time gauge. The four-string scattering amplitudes with three tachyons and an arbitrary string state are calculated. The string field theory yields the string scattering amplitudes evaluated on the world sheet of string scattering whereas the conventional method, based on the first quantized theory brings us the string scattering amplitudes defined on the upper half plane. For the highest spin states, generated by the primary operators, both calculations are in perfect agreement. In this case, the string scattering amplitudes are invariant under the conformal transformation, which maps the string world sheet onto the upper half plane. If the external string states are general massive states, generated by non-primary field operators, we need to take into account carefully the conformal transformation between the world sheet and the upper half plane. We show by an explicit calculation that the string scattering amplitudes calculated by using the deformed cubic string field theory transform into those of the first quantized theory on the upper half plane by the conformal transformation, generated by the Schwarz-Christoffel mapping.

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

Photon migration in non-scattering tissue and the effects on image reconstruction

NASA Astrophysics Data System (ADS)

Dehghani, H.; Delpy, D. T.; Arridge, S. R.

1999-12-01

Photon propagation in tissue can be calculated using the relationship described by the transport equation. For scattering tissue this relationship is often simplified and expressed in terms of the diffusion approximation. This approximation, however, is not valid for non-scattering regions, for example cerebrospinal fluid (CSF) below the skull. This study looks at the effects of a thin clear layer in a simple model representing the head and examines its effect on image reconstruction. Specifically, boundary photon intensities (total number of photons exiting at a point on the boundary due to a source input at another point on the boundary) are calculated using the transport equation and compared with data calculated using the diffusion approximation for both non-scattering and scattering regions. The effect of non-scattering regions on the calculated boundary photon intensities is presented together with the advantages and restrictions of the transport code used. Reconstructed images are then presented where the forward problem is solved using the transport equation for a simple two-dimensional system containing a non-scattering ring and the inverse problem is solved using the diffusion approximation to the transport equation.

Biasing anisotropic scattering kernels for deep-penetration Monte Carlo calculations

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

Carter, L.L.; Hendricks, J.S.

1983-01-01

The exponential transform is often used to improve the efficiency of deep-penetration Monte Carlo calculations. This technique is usually implemented by biasing the distance-to-collision kernel of the transport equation, but leaving the scattering kernel unchanged. Dwivedi obtained significant improvements in efficiency by biasing an isotropic scattering kernel as well as the distance-to-collision kernel. This idea is extended to anisotropic scattering, particularly the highly forward Klein-Nishina scattering of gamma rays.

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

Liu, Xianglin; Wang, Yang; Eisenbach, Markus

One major purpose of studying the single-site scattering problem is to obtain the scattering matrices and differential equation solutions indispensable to multiple scattering theory (MST) calculations. On the other hand, the single-site scattering itself is also appealing because it reveals the physical environment experienced by electrons around the scattering center. In this study, we demonstrate a new formalism to calculate the relativistic full-potential single-site Green's function. We implement this method to calculate the single-site density of states and electron charge densities. Lastly, the code is rigorously tested and with the help of Krein's theorem, the relativistic effects and full potentialmore » effects in group V elements and noble metals are thoroughly investigated.« less

Electron scattering intensities and Patterson functions of Skyrmions

NASA Astrophysics Data System (ADS)

Karliner, M.; King, C.; Manton, N. S.

2016-06-01

The scattering of electrons off nuclei is one of the best methods of probing nuclear structure. In this paper we focus on electron scattering off nuclei with spin and isospin zero within the Skyrme model. We consider two distinct methods and simplify our calculations by use of the Born approximation. The first method is to calculate the form factor of the spherically averaged Skyrmion charge density; the second uses the Patterson function to calculate the scattering intensity off randomly oriented Skyrmions, and spherically averages at the end. We compare our findings with experimental scattering data. We also find approximate analytical formulae for the first zero and first stationary point of a form factor.

Resonant Raman scattering background in XRF spectra of binary samples

NASA Astrophysics Data System (ADS)

Sánchez, Héctor Jorge; Leani, Juan José

2015-02-01

In x-ray fluorescence analysis, spectra present singular characteristics produced by the different scattering processes. When atoms are irradiated with incident energy lower and close to an absorption edge, scattering peaks appear due to an inelastic process known as resonant Raman scattering. In this work we present theoretical calculations of the resonant Raman scattering contributions to the background of x-ray fluorescence spectra of binary samples of current technological or biological interest. On one hand, a binary alloy of Fe with traces of Mn (Mn: 0.01%, Fe: 99.99%) was studied because of its importance in the stainless steels industries. On the second hand a pure sample of Ti with V traces (Ti: 99%, V: 1%) was analyzed due to the current relevance in medical applications. In order to perform the calculations the Shiraiwa and Fujino's model was used to calculate characteristic intensities and scattering interactions. This model makes certain assumptions and approximations to achieve the calculations, especially in the case of the geometrical conditions and the incident and take-off beams. For the binary sample studied in this work and the considered experimental conditions, the calculations show that the resonant Raman scattering background is significant under the fluorescent peak, affects the symmetry of the peaks and, depending on the concentrations, overcomes the enhancements contributions (secondary fluorescence).

Precision calculation of the lowest 1S resonance in e-H scattering. [electron-hydrogen scattering

NASA Technical Reports Server (NTRS)

Ho, Y. K.; Bhatia, A. K.; Temkin, A.

1977-01-01

The position and width of the lowest resonance in electron-hydrogen scattering have been calculated using a Hylleraas correlation function with up to 95 terms in the optical potential formalism. The results should be useful as calibration points for experimental electron scattering purposes. A formula relating the conventional (Breit-Wigner) width with the Feschbach formalism is derived.

Electron-Beam-Lithographed Nanostructures as Reference Materials for Label-Free Scattered-Light Biosensing of Single Filoviruses.

PubMed

Agrawal, Anant; Majdi, Joseph; Clouse, Kathleen A; Stantchev, Tzanko

2018-05-23

Optical biosensors based on scattered-light measurements are being developed for rapid and label-free detection of single virions captured from body fluids. Highly controlled, stable, and non-biohazardous reference materials producing virus-like signals are valuable tools to calibrate, evaluate, and refine the performance of these new optical biosensing methods. To date, spherical polymer nanoparticles have been the only non-biological reference materials employed with scattered-light biosensing techniques. However, pathogens like filoviruses, including the Ebola virus, are far from spherical and their shape strongly affects scattered-light signals. Using electron beam lithography, we fabricated nanostructures resembling individual filamentous virions attached to a biosensing substrate (silicon wafer overlaid with silicon oxide film) and characterized their dimensions with scanning electron and atomic force microscopes. To assess the relevance of these nanostructures, we compared their signals across the visible spectrum to signals recorded from Ebola virus-like particles which exhibit characteristic filamentous morphology. We demonstrate the highly stable nature of our nanostructures and use them to obtain new insights into the relationship between virion dimensions and scattered-light signal.

Calculated shape dependence of electromagnetic field in tip-enhanced Raman scattering by using a monopole antenna model

NASA Astrophysics Data System (ADS)

Kitahama, Yasutaka; Itoh, Tamitake; Suzuki, Toshiaki

2018-05-01

To evaluate the shape of an Ag tip with regard to tip-enhanced Raman scattering (TERS) signal, the enhanced electromagnetic (EM) field and scattering spectrum, arising from surface plasmon resonance at the apex of the tip, were calculated using a finite-difference time domain (FDTD) method. In the calculated forward scattering spectra from the smooth Ag tip, the band appeared within the visible region, similar to the experimental results and calculation for a corrugated Ag cone. In the FDTD calculation of TERS, the Ag tip acting as a monopole antenna was adopted by insertion of a perfect electric conductor between the root of the tip and a top boundary surface of the calculation space. As a result, the EM field was only enhanced at the apex. The shape dependence i.e. the EM field calculated at the apex with various curvatures on the different tapered tips, obtained using the monopole antenna model, was different from that simulated using a conventional dipole antenna model.

Experimental and theoretical studies of the He(2+)-He system - Differential cross sections for direct, single-, and double-charge-transfer scattering at keV energies

NASA Technical Reports Server (NTRS)

Gao, R. S.; Dutta, C. M.; Lane, N. F.; Smith, K. A.; Stebbings, R. F.; Kimura, M.

1992-01-01

Measurements and calculations of differential cross sections for direct scattering, single-charge transfer, and double-charge transfer in collisions of 1.5-, 2.0-, 6.0-, and 10.0-keV (He-3)2+ with an He-4 target are reported. The measurements cover laboratory scattering angles below 1.5 deg with an angular resolution of about 0.03 deg. A quantum-mechanical molecular-state representation is employed in the calculations; in the case of single-charge transfer a two-state close-coupling calculation is carried out taking into account electron-translation effects. The theoretical calculations agree well with the experimental results for direct scattering and double-charge transfer. The present calculation identifies the origins of oscillatory structures observed in the differential cross sections.

Relativistic scattered wave calculations on UF6

NASA Technical Reports Server (NTRS)

Case, D. A.; Yang, C. Y.

1980-01-01

Self-consistent Dirac-Slater multiple scattering calculations are presented for UF6. The results are compared critically to other relativistic calculations, showing that the results of all molecular orbital calculations are in qualitative agreement, as measured by energy levels, population analyses, and spin-orbit splittings. A detailed comparison is made to the relativistic X alpha(RX alpha) method of Wood and Boring, which also uses multiple scattering theory, but incorporates relativistic effects in a more approximate fashion. For the most part, the RX alpha results are in agreement with the present results.

A full-potential approach to the relativistic single-site Green's function

DOE PAGES

Liu, Xianglin; Wang, Yang; Eisenbach, Markus; ...

2016-07-07

One major purpose of studying the single-site scattering problem is to obtain the scattering matrices and differential equation solutions indispensable to multiple scattering theory (MST) calculations. On the other hand, the single-site scattering itself is also appealing because it reveals the physical environment experienced by electrons around the scattering center. In this study, we demonstrate a new formalism to calculate the relativistic full-potential single-site Green's function. We implement this method to calculate the single-site density of states and electron charge densities. Lastly, the code is rigorously tested and with the help of Krein's theorem, the relativistic effects and full potentialmore » effects in group V elements and noble metals are thoroughly investigated.« less

A new look at photometry of the Moon

USGS Publications Warehouse

Goguen, J.D.; Stone, T.C.; Kieffer, H.H.; Buratti, B.J.

2010-01-01

We use ROLO photometry (Kieffer, H.H., Stone, T.C. [2005]. Astron. J. 129, 2887-2901) to characterize the before and after full Moon radiance variation for a typical highlands site and a typical mare site. Focusing on the phase angle range 45??. ) to calculate the scattering matrix and solve the radiative transfer equation for I/. F. The mean single scattering albedo is ??=0.808, the asymmetry parameter is ???cos. ?????=0.77 and the phase function is very strongly peaked in both the forward and backward scattering directions. The fit to the observations for the highland site is excellent and multiply scattered photons contribute 80% of I/. F. We conclude that either model, roughness or multiple scattering, can match the observations, but that the strongly anisotropic phase functions of realistic particles require rigorous calculation of many orders of scattering or spurious photometric roughness estimates are guaranteed. Our multiple scattering calculation is the first to combine: (1) a regolith model matched to the measured particle size distribution and index of refraction of the lunar soil, (2) a rigorous calculation of the particle phase function and solution of the radiative transfer equation, and (3) application to lunar photometry with absolute radiance calibration. ?? 2010 Elsevier Inc.

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

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

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

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

Direct observation and theory of trajectory-dependent electronic energy losses in medium-energy ion scattering.

PubMed

Hentz, A; Parkinson, G S; Quinn, P D; Muñoz-Márquez, M A; Woodruff, D P; Grande, P L; Schiwietz, G; Bailey, P; Noakes, T C Q

2009-03-06

The energy spectrum associated with scattering of 100 keV H+ ions from the outermost few atomic layers of Cu(111) in different scattering geometries provides direct evidence of trajectory-dependent electronic energy loss. Theoretical simulations, combining standard Monte Carlo calculations of the elastic scattering trajectories with coupled-channel calculations to describe inner-shell ionization and excitation as a function of impact parameter, reproduce the effects well and provide a means for far more complete analysis of medium-energy ion scattering data.

Stray Light Analyis With The HP-41C/CV Calculator

NASA Astrophysics Data System (ADS)

Bamberg, Jack A.

1983-10-01

A stray radiation analysis program (nicknamed MINI-APART after its namesake: APART) suitable for use on the HP-41C/CV calculator is described. The program is ideally suited for quick estimates of stray light performance in well-baffled optical systems, which are limited by scatter from the first optical element. Critical path models are described, including single scatter, double scatter, diffraction-scatter, and thermal emission-scatter. Program use is illustrated, and several comparisons are made with the results obtained by the large stray radiation programs, GUERAP-3 and APART/PADE.

Incoherent Scatterer in a Luttinger Liquid: A New Paradigmatic Limit

NASA Astrophysics Data System (ADS)

Altland, Alexander; Gefen, Yuval; Rosenow, Bernd

2012-03-01

We address the problem of a Luttinger liquid with a scatterer that allows for both coherent and incoherent scattering channels. The asymptotic behavior at zero temperature is governed by a new stable fixed point: A Goldstone mode dominates the low energy dynamics, leading to universal behavior. This limit is marked by equal probabilities for forward and backward scattering. Notwithstanding this nontrivial scattering pattern, we find that the shot noise as well as cross-current correlations vanish. We thus present a paradigmatic picture of an impurity in the Luttinger model, alternative to the Kane-Fisher picture.

Fully-relativistic full-potential multiple scattering theory: A pathology-free scheme

NASA Astrophysics Data System (ADS)

Liu, Xianglin; Wang, Yang; Eisenbach, Markus; Stocks, G. Malcolm

2018-03-01

The Green function plays an essential role in the Korringa-Kohn-Rostoker(KKR) multiple scattering method. In practice, it is constructed from the regular and irregular solutions of the local Kohn-Sham equation and robust methods exist for spherical potentials. However, when applied to a non-spherical potential, numerical errors from the irregular solutions give rise to pathological behaviors of the charge density at small radius. Here we present a full-potential implementation of the fully-relativistic KKR method to perform ab initio self-consistent calculation by directly solving the Dirac differential equations using the generalized variable phase (sine and cosine matrices) formalism Liu et al. (2016). The pathology around the origin is completely eliminated by carrying out the energy integration of the single-site Green function along the real axis. By using an efficient pole-searching technique to identify the zeros of the well-behaved Jost matrices, we demonstrated that this scheme is numerically stable and computationally efficient, with speed comparable to the conventional contour energy integration method, while free of the pathology problem of the charge density. As an application, this method is utilized to investigate the crystal structures of polonium and their bulk properties, which is challenging for a conventional real-energy scheme. The noble metals are also calculated, both as a test of our method and to study the relativistic effects.

Fully-relativistic full-potential multiple scattering theory: A pathology-free scheme

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

Liu, Xianglin; Wang, Yang; Eisenbach, Markus

The Green function plays an essential role in the Korringa–Kohn–Rostoker(KKR) multiple scattering method. In practice, it is constructed from the regular and irregular solutions of the local Kohn–Sham equation and robust methods exist for spherical potentials. However, when applied to a non-spherical potential, numerical errors from the irregular solutions give rise to pathological behaviors of the charge density at small radius. Here we present a full-potential implementation of the fully-relativistic KKR method to perform ab initio self-consistent calculation by directly solving the Dirac differential equations using the generalized variable phase (sine and cosine matrices) formalism Liu et al. (2016). Themore » pathology around the origin is completely eliminated by carrying out the energy integration of the single-site Green function along the real axis. Here, by using an efficient pole-searching technique to identify the zeros of the well-behaved Jost matrices, we demonstrated that this scheme is numerically stable and computationally efficient, with speed comparable to the conventional contour energy integration method, while free of the pathology problem of the charge density. As an application, this method is utilized to investigate the crystal structures of polonium and their bulk properties, which is challenging for a conventional real-energy scheme. The noble metals are also calculated, both as a test of our method and to study the relativistic effects.« less

Fully-relativistic full-potential multiple scattering theory: A pathology-free scheme

DOE PAGES

Liu, Xianglin; Wang, Yang; Eisenbach, Markus; ...

2017-10-28

The Green function plays an essential role in the Korringa–Kohn–Rostoker(KKR) multiple scattering method. In practice, it is constructed from the regular and irregular solutions of the local Kohn–Sham equation and robust methods exist for spherical potentials. However, when applied to a non-spherical potential, numerical errors from the irregular solutions give rise to pathological behaviors of the charge density at small radius. Here we present a full-potential implementation of the fully-relativistic KKR method to perform ab initio self-consistent calculation by directly solving the Dirac differential equations using the generalized variable phase (sine and cosine matrices) formalism Liu et al. (2016). Themore » pathology around the origin is completely eliminated by carrying out the energy integration of the single-site Green function along the real axis. Here, by using an efficient pole-searching technique to identify the zeros of the well-behaved Jost matrices, we demonstrated that this scheme is numerically stable and computationally efficient, with speed comparable to the conventional contour energy integration method, while free of the pathology problem of the charge density. As an application, this method is utilized to investigate the crystal structures of polonium and their bulk properties, which is challenging for a conventional real-energy scheme. The noble metals are also calculated, both as a test of our method and to study the relativistic effects.« less

Ab initio method for calculating total cross sections

NASA Technical Reports Server (NTRS)

Bhatia, A. K.; Schneider, B. I.; Temkin, A.

1993-01-01

A method for calculating total cross sections without formally including nonelastic channels is presented. The idea is to use a one channel T-matrix variational principle with a complex correlation function. The derived T matrix is therefore not unitary. Elastic scattering is calculated from T-parallel-squared, but total scattering is derived from the imaginary part of T using the optical theorem. The method is applied to the spherically symmetric model of electron-hydrogen scattering. No spurious structure arises; results for sigma(el) and sigma(total) are in excellent agreement with calculations of Callaway and Oza (1984). The method has wide potential applicability.

Calculated shape dependence of electromagnetic field in tip-enhanced Raman scattering by using a monopole antenna model.

PubMed

Kitahama, Yasutaka; Itoh, Tamitake; Suzuki, Toshiaki

2018-05-15

To evaluate the shape of an Ag tip with regard to tip-enhanced Raman scattering (TERS) signal, the enhanced electromagnetic (EM) field and scattering spectrum, arising from surface plasmon resonance at the apex of the tip, were calculated using a finite-difference time domain (FDTD) method. In the calculated forward scattering spectra from the smooth Ag tip, the band appeared within the visible region, similar to the experimental results and calculation for a corrugated Ag cone. In the FDTD calculation of TERS, the Ag tip acting as a monopole antenna was adopted by insertion of a perfect electric conductor between the root of the tip and a top boundary surface of the calculation space. As a result, the EM field was only enhanced at the apex. The shape dependence i.e. the EM field calculated at the apex with various curvatures on the different tapered tips, obtained using the monopole antenna model, was different from that simulated using a conventional dipole antenna model. Copyright © 2018 Elsevier B.V. All rights reserved.

Hybrid method (JM-ECS) combining the J-matrix and exterior complex scaling methods for scattering calculations

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

Vanroose, W.; Broeckhove, J.; Arickx, F.

The paper proposes a hybrid method for calculating scattering processes. It combines the J-matrix method with exterior complex scaling and an absorbing boundary condition. The wave function is represented as a finite sum of oscillator eigenstates in the inner region, and it is discretized on a grid in the outer region. The method is validated for a one- and a two-dimensional model with partial wave equations and a calculation of p-shell nuclear scattering with semirealistic interactions.

A General-applications Direct Global Matrix Algorithm for Rapid Seismo-acoustic Wavefield Computations

NASA Technical Reports Server (NTRS)

Schmidt, H.; Tango, G. J.; Werby, M. F.

1985-01-01

A new matrix method for rapid wave propagation modeling in generalized stratified media, which has recently been applied to numerical simulations in diverse areas of underwater acoustics, solid earth seismology, and nondestructive ultrasonic scattering is explained and illustrated. A portion of recent efforts jointly undertaken at NATOSACLANT and NORDA Numerical Modeling groups in developing, implementing, and testing a new fast general-applications wave propagation algorithm, SAFARI, formulated at SACLANT is summarized. The present general-applications SAFARI program uses a Direct Global Matrix Approach to multilayer Green's function calculation. A rapid and unconditionally stable solution is readily obtained via simple Gaussian ellimination on the resulting sparsely banded block system, precisely analogous to that arising in the Finite Element Method. The resulting gains in accuracy and computational speed allow consideration of much larger multilayered air/ocean/Earth/engineering material media models, for many more source-receiver configurations than previously possible. The validity and versatility of the SAFARI-DGM method is demonstrated by reviewing three practical examples of engineering interest, drawn from ocean acoustics, engineering seismology and ultrasonic scattering.

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,

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

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

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

Terephthalic acid (TPA, C 8H 6O 4) is an industrially important chemical, one that shows polymorphism and disorder. Three polymorphs are known, two triclinic [(I) and (II)] and one monoclinic (III). Of the two triclinic polymorphs, (II) has been shown to be more stable in ambient conditions. This paper presents models of the local order of polymorphs (I) and (II), and compares the single-crystal diffuse scattering (SCDS) computed from the models with that observed from real crystals. TPA shows relatively weak and less-structured diffuse scattering than some other polymorphic materials, but it does appear that the SCDS is less wellmore » modelled by a purely harmonic model in polymorph (I) than in polymorph (II), according to the idea that the diffuse scattering is sensitive to anharmonicity that presages a structural phase transition. The work here verifies that displacive correlations are strong along the molecular chains and weak laterally, and that it is not necessary to allow the —COOH groups to librate to successfully model the diffuse scattering – keeping in mind that the data are from X-ray diffraction and not directly sensitive to H atoms.« less

Survey of background scattering from materials found in small-angle neutron scattering.

PubMed

Barker, J G; Mildner, D F R

2015-08-01

Measurements and calculations of beam attenuation and background scattering for common materials placed in a neutron beam are presented over the temperature range of 300-700 K. Time-of-flight (TOF) measurements have also been made, to determine the fraction of the background that is either inelastic or quasi-elastic scattering as measured with a 3 He detector. Other background sources considered include double Bragg diffraction from windows or samples, scattering from gases, and phonon scattering from solids. Background from the residual air in detector vacuum vessels and scattering from the 3 He detector dome are presented. The thickness dependence of the multiple scattering correction for forward scattering from water is calculated. Inelastic phonon background scattering at small angles for crystalline solids is both modeled and compared with measurements. Methods of maximizing the signal-to-noise ratio by material selection, choice of sample thickness and wavelength, removal of inelastic background by TOF or Be filters, and removal of spin-flip scattering with polarized beam analysis are discussed.

Survey of background scattering from materials found in small-angle neutron scattering

PubMed Central

Barker, J. G.; Mildner, D. F. R.

2015-01-01

Measurements and calculations of beam attenuation and background scattering for common materials placed in a neutron beam are presented over the temperature range of 300–700 K. Time-of-flight (TOF) measurements have also been made, to determine the fraction of the background that is either inelastic or quasi-elastic scattering as measured with a 3He detector. Other background sources considered include double Bragg diffraction from windows or samples, scattering from gases, and phonon scattering from solids. Background from the residual air in detector vacuum vessels and scattering from the 3He detector dome are presented. The thickness dependence of the multiple scattering correction for forward scattering from water is calculated. Inelastic phonon background scattering at small angles for crystalline solids is both modeled and compared with measurements. Methods of maximizing the signal-to-noise ratio by material selection, choice of sample thickness and wavelength, removal of inelastic background by TOF or Be filters, and removal of spin-flip scattering with polarized beam analysis are discussed. PMID:26306088

Characterizing Feshbach resonances in ultracold scattering calculations

NASA Astrophysics Data System (ADS)

Frye, Matthew D.; Hutson, Jeremy M.

2017-10-01

We describe procedures for converging on and characterizing zero-energy Feshbach resonances that appear in scattering lengths for ultracold atomic and molecular collisions as a function of an external field. The elastic procedure is appropriate for purely elastic scattering, where the scattering length is real and displays a true pole. The regularized scattering length procedure is appropriate when there is weak background inelasticity, so that the scattering length is complex and displays an oscillation rather than a pole, but the resonant scattering length ares is close to real. The fully complex procedure is appropriate when there is substantial background inelasticity and the real and imaginary parts of ares are required. We demonstrate these procedures for scattering of ultracold 85Rb in various initial states. All of them can converge on and provide full characterization of resonances, from initial guesses many thousands of widths away, using scattering calculations at only about ten values of the external field.

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.

Stable silver/biopolymer hybrid plasmonic nanostructures for high performance surface enhanced raman scattering (SERS)

USDA-ARS?s Scientific Manuscript database

Silver/biopolymer nanoparticles were prepared by adding 100 mg silver nitrate to 2% polyvinyl alcohol solution and reduced the silver nitrate into silver ion using 2 % trisodium citrate for high performance Surface Enhanced Raman Scattering (SERS) substrates. Optical properties of nanoparticle were ...

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.

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).

Two-dimensional analytic weighting functions for limb scattering

NASA Astrophysics Data System (ADS)

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

2017-10-01

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

Evaluating the scattered radiation intensity in CBCT

NASA Astrophysics Data System (ADS)

Gonçalves, O. D.; Boldt, S.; Nadaes, M.; Devito, K. L.

2018-03-01

In this work we calculate the ratio between scattered and transmitted photons (STRR) by a water cylinder reaching a detector matrix element (DME) in a flat array of detectors, similar to the used in cone beam tomography (CBCT), as a function of the field of view (FOV) and the irradiated volume of the scanned object. We perform the calculation by obtaining an equation to determine the scattered and transmitted radiation and building a computer code in order to calculate the contribution of all voxels of the sample. We compare calculated results with the shades of gray in a central slice of a tomography obtained from a cylindrical glass container filled with distilled water. The tomography was performed with an I-CAT tomograph (Imaging Science International), from the Department of Dental Clinic - Oral Radiology, Universidade Federal de Juiz de Fora. The shade of gray (voxel gray value - VGV) was obtained using the software provided with the I-CAT. The experimental results show a general behavior compatible with theoretical previsions attesting the validity of the method used to calculate the scattering contributions from simple scattering theories in cone beam tomography. The results also attest to the impossibility of obtaining Hounsfield values from a CBCT.

Consideration of the Protection Curtain's Shielding Ability after Identifying the Source of Scattered Radiation in the Angiography.

PubMed

Sato, Naoki; Fujibuchi, Toshioh; Toyoda, Takatoshi; Ishida, Takato; Ohura, Hiroki; Miyajima, Ryuichi; Orita, Shinichi; Sueyoshi, Tomonari

2017-06-15

To decrease radiation exposure to medical staff performing angiography, the dose distribution in the angiography was calculated in room using the particle and heavy ion transport code system (PHITS), which is based on Monte Carlo code, and the source of scattered radiation was confirmed using a tungsten sheet by considering the difference shielding performance among different sheet placements. Scattered radiation generated from a flat panel detector, X-ray tube and bed was calculated using the PHITS. In this experiment, the source of scattered radiation was identified as the phantom or acrylic window attached to the X-ray tube thus, a protection curtain was placed on the bed to shield against scattered radiation at low positions. There was an average difference of 20% between the measured and calculated values. The H*(10) value decreased after placing the sheet on the right side of the phantom. Thus, the curtain could decrease scattered radiation. © Crown copyright 2016.

Electron scattering in large water clusters from photoelectron imaging with high harmonic radiation.

PubMed

Gartmann, Thomas E; Hartweg, Sebastian; Ban, Loren; Chasovskikh, Egor; Yoder, Bruce L; Signorell, Ruth

2018-06-06

Low-energy electron scattering in water clusters (H2O)n with average cluster sizes of n < 700 is investigated by angle-resolved photoelectron spectroscopy using high harmonic radiation at photon energies of 14.0, 20.3, and 26.5 eV for ionization from the three outermost valence orbitals. The measurements probe the evolution of the photoelectron anisotropy parameter β as a function of cluster size. A remarkably steep decrease of β with increasing cluster size is observed, which for the largest clusters reaches liquid bulk values. Detailed electron scattering calculations reveal that neither gas nor condensed phase scattering can explain the cluster data. Qualitative agreement between experiment and simulations is obtained with scattering calculations that treat cluster scattering as an intermediate case between gas and condensed phase scattering.

Examinations of electron temperature calculation methods in Thomson scattering diagnostics.

PubMed

Oh, Seungtae; Lee, Jong Ha; Wi, Hanmin

2012-10-01

Electron temperature from Thomson scattering diagnostic is derived through indirect calculation based on theoretical model. χ-square test is commonly used in the calculation, and the reliability of the calculation method highly depends on the noise level of input signals. In the simulations, noise effects of the χ-square test are examined and scale factor test is proposed as an alternative method.

Vibrational excitation of water by electron impact

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

Khakoo, M. A.; Winstead, C.; McKoy, V.

2009-05-15

Experimental and calculated differential cross sections (DCSs) for electron-impact excitation of the (010) bending mode and unresolved (100) symmetric and (001) antisymmetric stretching modes of water are presented. Measurements are reported at incident energies of 1-100 eV and scattering angles of 10 deg. - 130 deg. and are normalized to the elastic-scattering DCSs for water determined earlier by our group. The calculated cross sections are obtained in the adiabatic approximation from fixed-nuclei, electronically elastic scattering calculations using the Schwinger multichannel method. The present results are compared to available experimental and theoretical data.

The SASS scattering coefficient algorithm. [Seasat-A Satellite Scatterometer

NASA Technical Reports Server (NTRS)

Bracalente, E. M.; Grantham, W. L.; Boggs, D. H.; Sweet, J. L.

1980-01-01

This paper describes the algorithms used to convert engineering unit data obtained from the Seasat-A satellite scatterometer (SASS) to radar scattering coefficients and associated supporting parameters. A description is given of the instrument receiver and related processing used by the scatterometer to measure signal power backscattered from the earth's surface. The applicable radar equation used for determining scattering coefficient is derived. Sample results of SASS data processed through current algorithm development facility (ADF) scattering coefficient algorithms are presented which include scattering coefficient values for both water and land surfaces. Scattering coefficient signatures for these two surface types are seen to have distinctly different characteristics. Scattering coefficient measurements of the Amazon rain forest indicate the usefulness of this type of data as a stable calibration reference target.

Influence of point defects on the thermal conductivity in FeSi

NASA Astrophysics Data System (ADS)

Stern, Robin; Wang, Tao; Carrete, Jesús; Mingo, Natalio; Madsen, Georg K. H.

2018-05-01

The unique transport properties of B20 FeSi have been investigated for decades. The progress in theoretical calculations allows the explanation and prediction of more and more of such properties. In this paper we investigate the lattice thermal conductivity of FeSi. Calculation for pristine FeSi severely overestimates the lattice thermal conductivity compared to experiment. We point out that the defect concentration can be considerably larger than indicated by the Hall coefficient. The defect formation energies are calculated and it is found that a substantial amount of iron vacancies can form at thermal equilibrium. These will lead to an increased phonon scattering. To explain the thermal conductivity of FeSi, we consider phonon-phonon, isotope, and phonon-defect scattering to assess possible scattering mechanisms. The calculated thermal conductivities indicate that phonon-defect scattering is important in order to explain the reported experimental values.

Hybrid Monte Carlo-Diffusion Method For Light Propagation in Tissue With a Low-Scattering Region

NASA Astrophysics Data System (ADS)

Hayashi, Toshiyuki; Kashio, Yoshihiko; Okada, Eiji

2003-06-01

The heterogeneity of the tissues in a head, especially the low-scattering cerebrospinal fluid (CSF) layer surrounding the brain has previously been shown to strongly affect light propagation in the brain. The radiosity-diffusion method, in which the light propagation in the CSF layer is assumed to obey the radiosity theory, has been employed to predict the light propagation in head models. Although the CSF layer is assumed to be a nonscattering region in the radiosity-diffusion method, fine arachnoid trabeculae cause faint scattering in the CSF layer in real heads. A novel approach, the hybrid Monte Carlo-diffusion method, is proposed to calculate the head models, including the low-scattering region in which the light propagation does not obey neither the diffusion approximation nor the radiosity theory. The light propagation in the high-scattering region is calculated by means of the diffusion approximation solved by the finite-element method and that in the low-scattering region is predicted by the Monte Carlo method. The intensity and mean time of flight of the detected light for the head model with a low-scattering CSF layer calculated by the hybrid method agreed well with those by the Monte Carlo method, whereas the results calculated by means of the diffusion approximation included considerable error caused by the effect of the CSF layer. In the hybrid method, the time-consuming Monte Carlo calculation is employed only for the thin CSF layer, and hence, the computation time of the hybrid method is dramatically shorter than that of the Monte Carlo method.

Hybrid Monte Carlo-diffusion method for light propagation in tissue with a low-scattering region.

PubMed

Hayashi, Toshiyuki; Kashio, Yoshihiko; Okada, Eiji

2003-06-01

The heterogeneity of the tissues in a head, especially the low-scattering cerebrospinal fluid (CSF) layer surrounding the brain has previously been shown to strongly affect light propagation in the brain. The radiosity-diffusion method, in which the light propagation in the CSF layer is assumed to obey the radiosity theory, has been employed to predict the light propagation in head models. Although the CSF layer is assumed to be a nonscattering region in the radiosity-diffusion method, fine arachnoid trabeculae cause faint scattering in the CSF layer in real heads. A novel approach, the hybrid Monte Carlo-diffusion method, is proposed to calculate the head models, including the low-scattering region in which the light propagation does not obey neither the diffusion approximation nor the radiosity theory. The light propagation in the high-scattering region is calculated by means of the diffusion approximation solved by the finite-element method and that in the low-scattering region is predicted by the Monte Carlo method. The intensity and mean time of flight of the detected light for the head model with a low-scattering CSF layer calculated by the hybrid method agreed well with those by the Monte Carlo method, whereas the results calculated by means of the diffusion approximation included considerable error caused by the effect of the CSF layer. In the hybrid method, the time-consuming Monte Carlo calculation is employed only for the thin CSF layer, and hence, the computation time of the hybrid method is dramatically shorter than that of the Monte Carlo method.

Theory of Multiple Coulomb Scattering from Extended Nuclei

DOE R&D Accomplishments Database

Cooper, L. N.; Rainwater, J.

1954-08-01

Two independent methods are described for calculating the multiple scattering distribution for projected angle scattering resulting when very high energy charged particles traverse a thick scatterer. The results are compared with the theories of Moliere and Olbert.

Positron scattering from pyridine

NASA Astrophysics Data System (ADS)

Stevens, D.; Babij, T. J.; Machacek, J. R.; Buckman, S. J.; Brunger, M. J.; White, R. D.; García, G.; Blanco, F.; Ellis-Gibbings, L.; Sullivan, J. P.

2018-04-01

We present a range of cross section measurements for the low-energy scattering of positrons from pyridine, for incident positron energies of less than 20 eV, as well as the independent atom model with the screening corrected additivity rule including interference effects calculation, of positron scattering from pyridine, with dipole rotational excitations accounted for using the Born approximation. Comparisons are made between the experimental measurements and theoretical calculations. For the positronium formation cross section, we also compare with results from a recent empirical model. In general, quite good agreement is seen between the calculations and measurements although some discrepancies remain which may require further investigation. It is hoped that the present study will stimulate development of ab initio level theoretical methods to be applied to this important scattering system.

New evaluation of thermal neutron scattering libraries for light and heavy water

NASA Astrophysics Data System (ADS)

Marquez Damian, Jose Ignacio; Granada, Jose Rolando; Cantargi, Florencia; Roubtsov, Danila

2017-09-01

In order to improve the design and safety of thermal nuclear reactors and for verification of criticality safety conditions on systems with significant amount of fissile materials and water, it is necessary to perform high-precision neutron transport calculations and estimate uncertainties of the results. These calculations are based on neutron interaction data distributed in evaluated nuclear data libraries. To improve the evaluations of thermal scattering sub-libraries, we developed a set of thermal neutron scattering cross sections (scattering kernels) for hydrogen bound in light water, and deuterium and oxygen bound in heavy water, in the ENDF-6 format from room temperature up to the critical temperatures of molecular liquids. The new evaluations were generated and processable with NJOY99 and also with NJOY-2012 with minor modifications (updates), and with the new version of NJOY-2016. The new TSL libraries are based on molecular dynamics simulations with GROMACS and recent experimental data, and result in an improvement of the calculation of single neutron scattering quantities. In this work, we discuss the importance of taking into account self-diffusion in liquids to accurately describe the neutron scattering at low neutron energies (quasi-elastic peak problem). To improve modeling of heavy water, it is important to take into account temperature-dependent static structure factors and apply Sköld approximation to the coherent inelastic components of the scattering matrix. The usage of the new set of scattering matrices and cross-sections improves the calculation of thermal critical systems moderated and/or reflected with light/heavy water obtained from the International Criticality Safety Benchmark Evaluation Project (ICSBEP) handbook. For example, the use of the new thermal scattering library for heavy water, combined with the ROSFOND-2010 evaluation of the cross sections for deuterium, results in an improvement of the C/E ratio in 48 out of 65 international benchmark cases calculated with the Monte Carlo code MCNP5, in comparison with the existing library based on the ENDF/B-VII.0 evaluation.

Intermediate energy proton-deuteron elastic scattering

NASA Technical Reports Server (NTRS)

Wilson, J. W.

1973-01-01

A fully symmetrized multiple scattering series is considered for the description of proton-deuteron elastic scattering. An off-shell continuation of the experimentally known twobody amplitudes that retains the exchange symmeteries required for the calculation is presented. The one boson exchange terms of the two body amplitudes are evaluated exactly in this off-shell prescription. The first two terms of the multiple scattering series are calculated explicitly whereas multiple scattering effects are obtained as minimum variance estimates from the 146-MeV data of Postma and Wilson. The multiple scattering corrections indeed consist of low order partial waves as suggested by Sloan based on model studies with separable interactions. The Hamada-Johnston wave function is shown consistent with the data for internucleon distances greater than about 0.84 fm.

On the importance of full-dimensionality in low-energy molecular scattering calculations

PubMed Central

Faure, Alexandre; Jankowski, Piotr; Stoecklin, Thierry; Szalewicz, Krzysztof

2016-01-01

Scattering of H2 on CO is of great importance in astrophysics and also is a benchmark system for comparing theory to experiment. We present here a new 6-dimensional potential energy surface for the ground electronic state of H2-CO with an estimated uncertainty of about 0.6 cm−1 in the global minimum region, several times smaller than achieved earlier. This potential has been used in nearly exact 6-dimensional quantum scattering calculations to compute state-to-state cross-sections measured in low-energy crossed-beam experiments. Excellent agreement between theory and experiment has been achieved in all cases. We also show that the fully 6-dimensional approach is not needed with the current accuracy of experimental data since an equally good agreement with experiment was obtained using only a 4-dimensional treatment, which validates the rigid-rotor approach widely used in scattering calculations. This finding, which disagrees with some literature statements, is important since for larger systems full-dimensional scattering calculations are currently not possible. PMID:27333870

Generation of efficient 33 GHz optical combs using cascaded stimulated Brillouin scattering effects in optical fiber

NASA Astrophysics Data System (ADS)

Al-Mansoori, M. H.; Al-Sheriyani, A.; Al-Nassri, S.; Hasoon, F. N.

2017-06-01

In this paper, we demonstrate a multi-wavelength Brillouin-erbium fiber laser (BEFL) with ~33 GHz frequency spacing using cascaded stimulated Brillouin scattering effects in optical fiber. The proposed laser structure exhibits a stable output channel with a tuning range of 19 nm, from 1549 nm to 1568 nm. The number of stable output channels produced is six channels with a triple-Brillouin frequency spacing. The output channels exhibit high output power and high optical signal-to-noise ratios (OSNRs). The laser structure has the potential to be used as a multi-wavelength source for optical communication systems.

Low-energy electron scattering from CO. 2: Ab-initio study using the frame-transformation theory

NASA Technical Reports Server (NTRS)

Chandra, N.

1976-01-01

The Wigner-Eisenbud R matrix method has been combined with the frame transformation theory to study electron scattering from molecular systems. The R matrix, calculated at the boundary point of the molecular core radius, has been transformed to the space frame in order to continue the solution of the scattering equations in the outer region where rotational motion of the nuclei is taken into account. This procedure has been applied to a model calculation of thermal energy electron scattering from CO.

Nanoparticle stability in semidilute and concentrated polymer solutions.

PubMed

Dutta, Nupur; Green, David

2008-05-20

The wetting of PDMS-grafted silica spheres (PDMS- g-silica) is connected to their depletion restabilization in semidilute and concentrated PDMS/cyohexane polymer solutions. Specifically, we found that a wetting diagram of chemically identical graft and free homopolymers predicts stability of hard, semisoft, and soft spheres as a function of the bulk free polymer volume fraction, graft density, and the graft and free polymer chain lengths. The transition between stable and aggregated regions is determined optically and with dynamic light scattering. The point of demarcation between the regions occurs when the graft and free polymer chains are equal in length. When graft chains are longer than free chains, the particles are stable; in contrast, the particles are unstable when the opposite is true. The regions of particle stability and instability are corroborated with theoretical self-consistent mean-field calculations, which not only show that the grafted brush is responsible for particle dispersion in the complete wetting region but also aggregation in the incomplete wetting region. Ultimately, our results indicate that depletion restabilization depends on the interfacial properties of the nanoparticles in semidilute and concentrated polymer solutions.

Distorted-wave born approximation calculations for turbulence scattering in an upward-refracting atmosphere

NASA Technical Reports Server (NTRS)

Gilbert, Kenneth E.; Di, Xiao; Wang, Lintao

1990-01-01

Weiner and Keast observed that in an upward-refracting atmosphere, the relative sound pressure level versus range follows a characteristic 'step' function. The observed step function has recently been predicted qualitatively and quantitatively by including the effects of small-scale turbulence in a parabolic equation (PE) calculation. (Gilbert et al., J. Acoust. Soc. Am. 87, 2428-2437 (1990)). The PE results to single-scattering calculations based on the distorted-wave Born approximation (DWBA) are compared. The purpose is to obtain a better understanding of the physical mechanisms that produce the step-function. The PE calculations and DWBA calculations are compared to each other and to the data of Weiner and Keast for upwind propagation (strong upward refraction) and crosswind propagation (weak upward refraction) at frequencies of 424 Hz and 848 Hz. The DWBA calculations, which include only single scattering from turbulence, agree with the PE calculations and with the data in all cases except for upwind propagation at 848 Hz. Consequently, it appears that in all cases except one, the observed step function can be understood in terms of single scattering from an upward-refracted 'skywave' into the refractive shadow zone. For upwind propagation at 848 Hz, the DWBA calculation gives levels in the shadow zone that are much below both the PE and the data.

Time-Dependent Wave Packet Dynamics Calculations of Cross Sections for Ultracold Scattering of Molecules

NASA Astrophysics Data System (ADS)

Huang, Jiayu; Liu, Shu; Zhang, Dong H.; Krems, Roman V.

2018-04-01

Because the de Broglie wavelength of ultracold molecules is very large, the cross sections for collisions of molecules at ultracold temperatures are always computed by the time-independent quantum scattering approach. Here, we report the first accurate time-dependent wave packet dynamics calculation for reactive scattering of ultracold molecules. Wave packet dynamics calculations can be applied to molecular systems with more dimensions and provide real-time information on the process of bond rearrangement and/or energy exchange in molecular collisions. Our work thus makes possible the extension of rigorous quantum calculations of ultracold reaction properties to polyatomic molecules and adds a new powerful tool for the study of ultracold chemistry.

Time-Dependent Wave Packet Dynamics Calculations of Cross Sections for Ultracold Scattering of Molecules.

PubMed

Huang, Jiayu; Liu, Shu; Zhang, Dong H; Krems, Roman V

2018-04-06

Because the de Broglie wavelength of ultracold molecules is very large, the cross sections for collisions of molecules at ultracold temperatures are always computed by the time-independent quantum scattering approach. Here, we report the first accurate time-dependent wave packet dynamics calculation for reactive scattering of ultracold molecules. Wave packet dynamics calculations can be applied to molecular systems with more dimensions and provide real-time information on the process of bond rearrangement and/or energy exchange in molecular collisions. Our work thus makes possible the extension of rigorous quantum calculations of ultracold reaction properties to polyatomic molecules and adds a new powerful tool for the study of ultracold chemistry.

SU-E-T-439: An Improved Formula of Scatter-To-Primary Ratio for Photon Dose Calculation

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

Zhu, T

2014-06-01

Purpose: Scatter-to-primary ratio (SPR) is an important dosimetric quantity that describes the contribution from the scatter photons in an external photon beam. The purpose of this study is to develop an improved analytical formula to describe SPR as a function of circular field size (r) and depth (d) using Monte Carlo (MC) simulation. Methods: MC simulation was performed for Mohan photon spectra (Co-60, 4, 6, 10, 15, 23 MV) using EGSNRC code. Point-spread scatter dose kernels in water are generated. The scatter-to-primary ratio (SPR) is also calculated using MC simulation as a function of field size for circular field sizemore » with radius r and depth d. The doses from forward scatter and backscatter photons are calculated using a convolution of the point-spread scatter dose kernel and by accounting for scatter photons contributing to dose before (z'd) reaching the depth of interest, d, where z' is the location of scatter photons, respectively. The depth dependence of the ratio of the forward scatter and backscatter doses is determined as a function of depth and field size. Results: We are able to improve the existing 3-parameter (a, w, d0) empirical formula for SPR by introducing depth dependence for one of the parameter d0, which becomes 0 for deeper depths. The depth dependence of d0 can be directly calculated as a ratio of backscatter-to-forward scatter doses for otherwise the same field and depth. With the improved empirical formula, we can fit SPR for all megavoltage photon beams to within 2%. Existing 3-parameter formula cannot fit SPR data for Co-60 to better than 3.1%. Conclusion: An improved empirical formula is developed to fit SPR for all megavoltage photon energies to within 2%.« less

Ultrahigh lattice thermal conductivity in topological semimetal TaN caused by a large acoustic-optical gap.

PubMed

Guo, San-Dong; Liu, Bang-Gui

2018-03-14

Topological semimetals may have potential applications such as in topological qubits, spintronics and quantum computations. Efficient heat dissipation is a key factor for the reliability and stability of topological semimetal-based nano-electronics devices, which is closely related to high thermal conductivity. In this work, the elastic properties and lattice thermal conductivity of TaN are investigated using first-principles calculations and the linearized phonon Boltzmann equation within the single-mode relaxation time approximation. According to the calculated bulk modulus, shear modulus and C 44 , TaN can be regarded as a potential incompressible and hard material. The room-temperature lattice thermal conductivity is predicted to be 838.62 [Formula: see text] along the a axis and 1080.40 [Formula: see text] along the c axis, showing very strong anisotropy. It is found that the lattice thermal conductivity of TaN is several tens of times higher than other topological semimetals, such as TaAs, MoP and ZrTe, which is due to the very longer phonon lifetimes for TaN than other topological semimetals. The very different atomic masses of Ta and N atoms lead to a very large acoustic-optical band gap, and then prohibit the scattering between acoustic and optical phonon modes, which gives rise to very long phonon lifetimes. Calculated results show that isotope scattering has little effect on lattice thermal conductivity, and that phonons with mean free paths larger than 20 (80) [Formula: see text] along the c direction at 300 K have little contribution to the total lattice thermal conductivity. This work implies that TaN-based nano-electronics devices may be more stable and reliable due to efficient heat dissipation, and motivates further experimental works to study lattice thermal conductivity of TaN.

Ultrahigh lattice thermal conductivity in topological semimetal TaN caused by a large acoustic-optical gap

NASA Astrophysics Data System (ADS)

Guo, San-Dong; Liu, Bang-Gui

2018-03-01

Topological semimetals may have potential applications such as in topological qubits, spintronics and quantum computations. Efficient heat dissipation is a key factor for the reliability and stability of topological semimetal-based nano-electronics devices, which is closely related to high thermal conductivity. In this work, the elastic properties and lattice thermal conductivity of TaN are investigated using first-principles calculations and the linearized phonon Boltzmann equation within the single-mode relaxation time approximation. According to the calculated bulk modulus, shear modulus and C 44, TaN can be regarded as a potential incompressible and hard material. The room-temperature lattice thermal conductivity is predicted to be 838.62 W~m-1~K^{-1} along the a axis and 1080.40 W~m-1~K^{-1} along the c axis, showing very strong anisotropy. It is found that the lattice thermal conductivity of TaN is several tens of times higher than other topological semimetals, such as TaAs, MoP and ZrTe, which is due to the very longer phonon lifetimes for TaN than other topological semimetals. The very different atomic masses of Ta and N atoms lead to a very large acoustic-optical band gap, and then prohibit the scattering between acoustic and optical phonon modes, which gives rise to very long phonon lifetimes. Calculated results show that isotope scattering has little effect on lattice thermal conductivity, and that phonons with mean free paths larger than 20 (80) μm along the c direction at 300 K have little contribution to the total lattice thermal conductivity. This work implies that TaN-based nano-electronics devices may be more stable and reliable due to efficient heat dissipation, and motivates further experimental works to study lattice thermal conductivity of TaN.

Resonance scattering in quantum wave guides

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

Arsen'ev, A A

2003-02-28

The interaction of a quantum wave guide with a resonator is studied within the frame of the Birman-Kato scattering theory. The existence of poles of the scattering matrix is proved and the jump of the scattering amplitude near a resonance is calculated.

Single-scatter vector-wave scattering from surfaces with infinite slopes using the Kirchhoff approximation.

PubMed

Bruce, Neil C

2008-08-01

This paper presents a new formulation of the 3D Kirchhoff approximation that allows calculation of the scattering of vector waves from 2D rough surfaces containing structures with infinite slopes. This type of surface has applications, for example, in remote sensing and in testing or imaging of printed circuits. Some preliminary calculations for rectangular-shaped grooves in a plane are presented for the 2D surface method and are compared with the equivalent 1D surface calculations for the Kirchhoff and integral equation methods. Good agreement is found between the methods.

A fast calculating two-stream-like multiple scattering algorithm that captures azimuthal and elevation variations

NASA Astrophysics Data System (ADS)

Fiorino, Steven T.; Elmore, Brannon; Schmidt, Jaclyn; Matchefts, Elizabeth; Burley, Jarred L.

2016-05-01

Properly accounting for multiple scattering effects can have important implications for remote sensing and possibly directed energy applications. For example, increasing path radiance can affect signal noise. This study describes the implementation of a fast-calculating two-stream-like multiple scattering algorithm that captures azimuthal and elevation variations into the Laser Environmental Effects Definition and Reference (LEEDR) atmospheric characterization and radiative transfer code. The multiple scattering algorithm fully solves for molecular, aerosol, cloud, and precipitation single-scatter layer effects with a Mie algorithm at every calculation point/layer rather than an interpolated value from a pre-calculated look-up-table. This top-down cumulative diffusivity method first considers the incident solar radiance contribution to a given layer accounting for solid angle and elevation, and it then measures the contribution of diffused energy from previous layers based on the transmission of the current level to produce a cumulative radiance that is reflected from a surface and measured at the aperture at the observer. Then a unique set of asymmetry and backscattering phase function parameter calculations are made which account for the radiance loss due to the molecular and aerosol constituent reflectivity within a level and allows for a more accurate characterization of diffuse layers that contribute to multiple scattered radiances in inhomogeneous atmospheres. The code logic is valid for spectral bands between 200 nm and radio wavelengths, and the accuracy is demonstrated by comparing the results from LEEDR to observed sky radiance data.

Use of Single-Layer g-C3N4/Ag Hybrids for Surface-Enhanced Raman Scattering (SERS)

PubMed Central

Jiang, Jizhou; Zou, Jing; Wee, Andrew Thye Shen; Zhang, Wenjing

2016-01-01

Surface-enhanced Raman scattering (SERS) substrates with high activity and stability are desirable for SERS sensing. Here, we report a new single atomic layer graphitic-C3N4 (S-g-C3N4) and Ag nanoparticles (NPs) hybrid as high-performance SERS substrates. The SERS mechanism of the highly stable S-g-C3N4/Ag substrates was systematically investigated by a combination of experiments and theoretical calculations. From the results of XPS and Raman spectroscopies, it was found that there was a strong interaction between S-g-C3N4 and Ag NPs, which facilitates the uniform distribution of Ag NPs over the edges and surfaces of S-g-C3N4 nanosheets, and induces a charge transfer from S-g-C3N4 to the oxidizing agent through the silver surface, ultimately protecting Ag NPs from oxidation. Based on the theoretical calculations, we found that the net surface charge of the Ag atoms on the S-g-C3N4/Ag substrates was positive and the Ag NPs presented high dispersibility, suggesting that the Ag atoms on the S-g-C3N4/Ag substrates were not likely to be oxidized, thereby ensuring the high stability of the S-g-C3N4/Ag substrate. An understanding of the stability mechanism in this system can be helpful for developing other effective SERS substrates with long-term stability. PMID:27687573

Deformed shell model study of event rates for WIMP-73Ge scattering

NASA Astrophysics Data System (ADS)

Sahu, R.; Kota, V. K. B.

2017-12-01

The event detection rates for the Weakly Interacting Massive Particles (WIMP) (a dark matter candidate) are calculated with 73Ge as the detector. The calculations are performed within the deformed shell model (DSM) based on Hartree-Fock states. First, the energy levels and magnetic moment for the ground state and two low-lying positive parity states for this nucleus are calculated and compared with experiment. The agreement is quite satisfactory. Then the nuclear wave functions are used to investigate the elastic and inelastic scattering of WIMP from 73Ge; inelastic scattering, especially for the 9/2+ → 5/2+ transition, is studied for the first time. The nuclear structure factors which are independent of supersymmetric model are also calculated as a function of WIMP mass. The event rates are calculated for a given set of nucleonic current parameters. The calculation shows that 73Ge is a good detector for detecting dark matter.

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

NASA Technical Reports Server (NTRS)

Grams, G. W.

1981-01-01

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

Correction of autofluorescence intensity for epithelial scattering by optical coherence tomography: a phantom study

NASA Astrophysics Data System (ADS)

Pahlevaninezhad, H.; Lee, A. M. D.; Hyun, C.; Lam, S.; MacAulay, C.; Lane, P. M.

2013-03-01

In this paper, we conduct a phantom study for modeling the autofluorescence (AF) properties of tissue. A combined optical coherence tomography (OCT) and AF imaging system is proposed to measure the strength of the AF signal in terms of the scattering layer thickness and concentration. The combined AF-OCT system is capable of estimating the AF loss due to scattering in the epithelium using the thickness and scattering concentration calculated from the co-registered OCT images. We define a correction factor to account for scattering losses in the epithelium and calculate a scatteringcorrected AF signal. We believe the scattering-corrected AF will reduce the diagnostic false-positives rate in the early detection of airway lesions due to confounding factors such as increased epithelial thickness and inflammations.

The Momentum Distribution of Liquid ⁴He

DOE PAGES

Prisk, T. R.; Bryan, M. S.; Sokol, P. E.; ...

2017-07-24

We report a high-resolution neutron Compton scattering study of liquid ⁴He under milli-Kelvin temperature control. To interpret the scattering data, we performed Quantum Monte Carlo calculations of the atomic momentum distribution and final state effects for the conditions of temperature and density considered in the experiment. There is excellent agreement between the observed scattering and ab initio calculations of its lineshape at all temperatures. We also used model fit functions to obtain from the scattering data empirical estimates of the average atomic kinetic energy and Bose condensate fraction. These quantities are also in excellent agreement with ab initio calculations. Wemore » conclude that contemporary Quantum Monte Carlo methods can furnish accurate predictions for the properties of Bose liquids, including the condensate fraction, close to the superfluid transition temperature.« less

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

PubMed

Adams, C N; Kattawar, G W

1993-08-20

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

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

Lukyanov, V. K., E-mail: lukyanov@theor.jinr.ru; Zemlyanaya, E. V.; Lukyanov, K. V.

The folding-model optical potential is generalized in such a way as to apply it to calculating the cross sections for inelastic scattering of π{sup ±}-mesons on {sup 28}Si, {sup 40}Ca, {sup 58}Ni, and {sup 208}Pb nuclei at the energies of 162, 180, 226, and 291 MeV leading to the excitation of the 2{sup +} and 3{sup −} collective states. In doing this, use is made of known nucleon-density distributions in nuclei and the pion–nucleon scattering amplitude whose parameters were obtained previously by fitting the elastic scattering cross sections for the same nuclei. Thus, the values of quadrupole (β{sub 2}) andmore » octupole (β{sub 3}) deformations of nuclei appear here as the only adjustable parameters. The scattering cross section is calculated by solving the relativistic wave equation, whereby effects of relativization and distortion in the entrance and exit scattering channels are taken exactly into account. The cross sections calculated in this way for inelastic scattering are in good agreement with respective experimental data. The importance of the inclusion of in-medium effects in choosing parameters of the pion–nucleon amplitude is emphasized.« less

Numerical Studies of Scattering Properties of Leaves and Leaf Moisture Influences on the Scattering at Microwave Wavelengths

NASA Technical Reports Server (NTRS)

Lin, Bing; Hu, Yongxiang; Sun, Wenbo; Min, Qilong

2008-01-01

This study uses 3-dimensional finite difference time domain method to accurately calculate single-scattering properties of randomly orientated leaves and evaluate the influences of vegetation water content (VWC) on these properties at 19 and 37 GHz frequencies. The studied leaves are assumed to be thin elliptic disks with two different sizes and have various VWC values. Although the leaf moisture produces considerable absorption during scattering processes, the effective efficiencies of extinction and scattering of leaves still near-linearly increase with VWC. Calculated asymmetry factors and phase functions indicate that there are significant amounts of scattering at large scattering angles in microwave wavelengths, which provides good opportunities for off-nadir microwave remote sensing of forests. This study lays a basic foundation in future quantifications of the relations between satellite measurements and physical properties of vegetation canopies.

A Multiple Sphere T-Matrix Fortran Code for Use on Parallel Computer Clusters

NASA Technical Reports Server (NTRS)

Mackowski, D. W.; Mishchenko, M. I.

2011-01-01

A general-purpose Fortran-90 code for calculation of the electromagnetic scattering and absorption properties of multiple sphere clusters is described. The code can calculate the efficiency factors and scattering matrix elements of the cluster for either fixed or random orientation with respect to the incident beam and for plane wave or localized- approximation Gaussian incident fields. In addition, the code can calculate maps of the electric field both interior and exterior to the spheres.The code is written with message passing interface instructions to enable the use on distributed memory compute clusters, and for such platforms the code can make feasible the calculation of absorption, scattering, and general EM characteristics of systems containing several thousand spheres.

Application of a self-consistent NEGF procedure to study the coherent transport with phase breaking scattering in low dimensional systems

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

Pratap, Surender, E-mail: surender.pratap@pilani.bits-pilani.ac.in; Sarkar, Niladri, E-mail: niladri@pilani.bits-pilani.ac.in

2016-04-13

We have studied Quantum Transport with dephasing in Low Dimensional systems. Here, we apply a self-consistent NEGF procedure to study the transport mechanism in low-dimensional systems with phase breaking scatterers. Under this we have determined the transmission coefficient of a very small Multi-Moded Nanowire which is under a small bias potential of few meV. We have calculated the transmission of this device first with no scatterers. Then we have introduced scatterers in the device and calculated the transmission for the device.

Low-energy scattering of electrons and positrons in liquids

NASA Technical Reports Server (NTRS)

Schrader, D. M.

1990-01-01

The scattering of low energy electrons and positrons is described for the liquid phase and compared and contrasted with that for the gas phase. Similarities as well as differences are noted. The loci of scattering sites, called spurs in the liquid phase, are considered in detail. In particular, their temporal and spatial evolution is considered from the point of view of scattering. Two emphases are made: one upon the stochastic calculation of the distribution of distances required for slowing down to thermal velocities, and the other upon the calculation of cross sections for energy loss by means of quantum mechanics.

Spectral scattering characteristics of space target in near-UV to visible bands.

PubMed

Bai, Lu; Wu, Zhensen; Cao, Yunhua; Huang, Xun

2014-04-07

In this study, the spectral scattering characteristics of a space target are calculated in the near-UV to visible bands on the basis of measured data of spectral hemispheric reflectivity in the upper half space. Further, the bidirectional reflection distribution function (BRDF) model proposed by Davies is modified to describe the light scattering properties of a target surface. This modification aims to improve the characteristics identifying ability for different space targets. By using this modified Davies spectrum BRDF model, the spectral scattering characteristics of each subsurface can be obtained. A mathematical model of spectral scattering properties of the space target is built by summing all the contributing surface grid reflection scattering components, considering the impact of surface shadow effect.Moreover, the spectral scattering characteristics of the space target calculated with both the traditional and modified Davies BRDF models are compared. The results show that in the fixed and modified cases, the hemispheric reflectivity significantly affects the spectral scattering irradiance of the target.

Quasiparticle Scattering in the Rashba Semiconductor BiTeBr: The Roles of Spin and Defect Lattice Site.

PubMed

Butler, Christopher John; Yang, Po-Ya; Sankar, Raman; Lien, Yen-Neng; Lu, Chun-I; Chang, Luo-Yueh; Chen, Chia-Hao; Wei, Ching-Ming; Chou, Fang-Cheng; Lin, Minn-Tsong

2016-09-28

Observations of quasiparticle interference have been used in recent years to examine exotic carrier behavior at the surfaces of emergent materials, connecting carrier dispersion and scattering dynamics to real-space features with atomic resolution. We observe quasiparticle interference in the strongly Rashba split 2DEG-like surface band found at the tellurium termination of BiTeBr and examine two mechanisms governing quasiparticle scattering: We confirm the suppression of spin-flip scattering by comparing measured quasiparticle interference with a spin-dependent elastic scattering model applied to the calculated spectral function. We also use atomically resolved STM maps to identify point defect lattice sites and spectro-microscopy imaging to discern their varying scattering strengths, which we understand in terms of the calculated orbital characteristics of the surface band. Defects on the Bi sublattice cause the strongest scattering of the predominantly Bi 6p derived surface band, with other defects causing nearly no scattering near the conduction band minimum.

A method for determination mass absorption coefficient of gamma rays by Compton scattering.

PubMed

El Abd, A

2014-12-01

A method was proposed for determination mass absorption coefficient of gamma rays for compounds, alloys and mixtures. It is based on simulating interaction processes of gamma rays with target elements having atomic numbers from Z=1 to Z=92 using the MCSHAPE software. Intensities of Compton scattered gamma rays at saturation thicknesses and at a scattering angle of 90° were calculated for incident gamma rays of different energies. The obtained results showed that the intensity of Compton scattered gamma rays at saturations and mass absorption coefficients can be described by mathematical formulas. These were used to determine mass absorption coefficients for compound, alloys and mixtures with the knowledge of their Compton scattered intensities. The method was tested by calculating mass absorption coefficients for some compounds, alloys and mixtures. There is a good agreement between obtained results and calculated ones using WinXom software. The advantages and limitations of the method were discussed. Copyright © 2014 Elsevier Ltd. All rights reserved.

Radiance and polarization of multiple scattered light from haze and clouds.

PubMed

Kattawar, G W; Plass, G N

1968-08-01

The radiance and polarization of multiple scattered light is calculated from the Stokes' vectors by a Monte Carlo method. The exact scattering matrix for a typical haze and for a cloud whose spherical drops have an average radius of 12 mu is calculated from the Mie theory. The Stokes' vector is transformed in a collision by this scattering matrix and the rotation matrix. The two angles that define the photon direction after scattering are chosen by a random process that correctly simulates the actual distribution functions for both angles. The Monte Carlo results for Rayleigh scattering compare favorably with well known tabulated results. Curves are given of the reflected and transmitted radiances and polarizations for both the haze and cloud models and for several solar angles, optical thicknesses, and surface albedos. The dependence on these various parameters is discussed.

Parameterization of the Van Hove dynamic self-scattering law Ss(Q,omega)

NASA Astrophysics Data System (ADS)

Zetterstrom, P.

In this paper we present a model of the Van Hove dynamic scattering law SME(Q, omega) based on the maximum entropy principle which is developed for the first time. The model is aimed to be used in the calculation of inelastic corrections to neutron diffraction data. The model is constrained by the first and second frequency moments and detailed balance, but can be expanded to an arbitrary number of frequency moments. The second moment can be varied by an effective temperature to account for the kinetic energy of the atoms. The results are compared with a diffusion model of the scattering law. Finally some calculations of the inelastic self-scattering for a time-of-flight diffractometer are presented. From this we show that the inelastic self-scattering is very sensitive to the details of the dynamic scattering law.

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.

Application of the Finite Element Method in Atomic and Molecular Physics

NASA Technical Reports Server (NTRS)

Shertzer, Janine

2007-01-01

The finite element method (FEM) is a numerical algorithm for solving second order differential equations. It has been successfully used to solve many problems in atomic and molecular physics, including bound state and scattering calculations. To illustrate the diversity of the method, we present here details of two applications. First, we calculate the non-adiabatic dipole polarizability of Hi by directly solving the first and second order equations of perturbation theory with FEM. In the second application, we calculate the scattering amplitude for e-H scattering (without partial wave analysis) by reducing the Schrodinger equation to set of integro-differential equations, which are then solved with FEM.

Electron-ion collision-frequency for x-ray Thomson scattering in dense plasmas

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

Faussurier, Gérald, E-mail: gerald.faussurier@cea.fr; Blancard, Christophe

2016-01-15

Two methods are presented to calculate the electron-ion collision-frequency in dense plasmas using an average-atom model. The first one is based on the Kubo-Greenwood approach. The second one uses the Born and Lenard-Balescu approximations. The two methods are used to calculate x-ray Thomson scattering spectra. Illustrations are shown for dense beryllium and aluminum plasmas. Comparisons with experiment are presented in the case of an x-ray Thomson scattering spectrum.

SU-E-T-25: Real Time Simulator for Designing Electron Dual Scattering Foil Systems.

PubMed

Carver, R; Hogstrom, K; Price, M; Leblanc, J; Harris, G

2012-06-01

To create a user friendly, accurate, real time computer simulator to facilitate the design of dual foil scattering systems for electron beams on radiotherapy accelerators. The simulator should allow for a relatively quick, initial design that can be refined and verified with subsequent Monte Carlo (MC) calculations and measurements. The simulator consists of an analytical algorithm for calculating electron fluence and a graphical user interface (GUI) C++ program. The algorithm predicts electron fluence using Fermi-Eyges multiple Coulomb scattering theory with a refined Moliere formalism for scattering powers. The simulator also estimates central-axis x-ray dose contamination from the dual foil system. Once the geometry of the beamline is specified, the simulator allows the user to continuously vary primary scattering foil material and thickness, secondary scattering foil material and Gaussian shape (thickness and sigma), and beam energy. The beam profile and x-ray contamination are displayed in real time. The simulator was tuned by comparison of off-axis electron fluence profiles with those calculated using EGSnrc MC. Over the energy range 7-20 MeV and using present foils on the Elekta radiotherapy accelerator, the simulator profiles agreed to within 2% of MC profiles from within 20 cm of the central axis. The x-ray contamination predictions matched measured data to within 0.6%. The calculation time was approximately 100 ms using a single processor, which allows for real-time variation of foil parameters using sliding bars. A real time dual scattering foil system simulator has been developed. The tool has been useful in a project to redesign an electron dual scattering foil system for one of our radiotherapy accelerators. The simulator has also been useful as an instructional tool for our medical physics graduate students. © 2012 American Association of Physicists in Medicine.

Broadband optical switch based on liquid crystal dynamic scattering.

PubMed

Geis, M W; Bos, P J; Liberman, V; Rothschild, M

2016-06-27

This work demonstrates a novel broadband optical switch, based on dynamic-scattering effect in liquid crystals (LCs). Dynamic-scattering-mode technology was developed for display applications over four decades ago, but was displaced in favor of the twisted-nematic LCs. However, with the recent development of more stable LCs, dynamic scattering provides advantages over other technologies for optical switching. We demonstrate broadband polarization-insensitive attenuation of light directly passing thought the cell by 4 to 5 orders of magnitude at 633 nm. The attenuation is accomplished by light scattering to higher angles. Switching times of 150 μs to 10% transmission have been demonstrated. No degradation of devices is found after hundreds of switching cycles. The light-rejection mechanism is due to scattering, induced by disruption of LC director orientation with dopant ion motion with an applied electric field. Angular dependence of scattering is characterized as a function of bias voltage.

Snow particles extracted from X-ray computed microtomography imagery and their single-scattering properties

NASA Astrophysics Data System (ADS)

Ishimoto, Hiroshi; Adachi, Satoru; Yamaguchi, Satoru; Tanikawa, Tomonori; Aoki, Teruo; Masuda, Kazuhiko

2018-04-01

Sizes and shapes of snow particles were determined from X-ray computed microtomography (micro-CT) images, and their single-scattering properties were calculated at visible and near-infrared wavelengths using a Geometrical Optics Method (GOM). We analyzed seven snow samples including fresh and aged artificial snow and natural snow obtained from field samples. Individual snow particles were numerically extracted, and the shape of each snow particle was defined by applying a rendering method. The size distribution and specific surface area distribution were estimated from the geometrical properties of the snow particles, and an effective particle radius was derived for each snow sample. The GOM calculations at wavelengths of 0.532 and 1.242 μm revealed that the realistic snow particles had similar scattering phase functions as those of previously modeled irregular shaped particles. Furthermore, distinct dendritic particles had a characteristic scattering phase function and asymmetry factor. The single-scattering properties of particles of effective radius reff were compared with the size-averaged single-scattering properties. We found that the particles of reff could be used as representative particles for calculating the average single-scattering properties of the snow. Furthermore, the single-scattering properties of the micro-CT particles were compared to those of particle shape models using our current snow retrieval algorithm. For the single-scattering phase function, the results of the micro-CT particles were consistent with those of a conceptual two-shape model. However, the particle size dependence differed for the single-scattering albedo and asymmetry factor.

Calculation of the Full Scattering Amplitude without Partial Wave Decomposition II: Inclusion of Exchange

NASA Technical Reports Server (NTRS)

Shertzer, Janine; Temkin, A.

2003-01-01

As is well known, the full scattering amplitude can be expressed as an integral involving the complete scattering wave function. We have shown that the integral can be simplified and used in a practical way. Initial application to electron-hydrogen scattering without exchange was highly successful. The Schrodinger equation (SE), which can be reduced to a 2d partial differential equation (pde), was solved using the finite element method. We have now included exchange by solving the resultant SE, in the static exchange approximation, which is reducible to a pair of coupled pde's. The resultant scattering amplitudes, both singlet and triplet, calculated as a function of energy are in excellent agreement with converged partial wave results.

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

NASA Technical Reports Server (NTRS)

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

1976-01-01

The matrix operator method was used to calculate the polarization of radiation scattered on layers of various optical thicknesses, with results compared for Rayleigh scattering and for scattering from a continental haze. In both cases, there are neutral points arising from the zeros of the polarization of single scattered photons at scattering angles of zero and 180 degrees. The angular position of these Rayleigh-like neutral points (RNP) in the sky shows appreciable variation with the optical thickness of the scattering layer for a Rayleigh phase matrix, but only a small variation for haze L phase matrix. Another type of neutral point exists for non-Rayleigh phase functions that is associated with the zeros of the polarization for single scattering which occurs between the end points of the curve. A comparison of radiances calculated from the complete theory of radiative transfer using Stokes vectors with those obtained from the scalar theory shows that differences of the order of 23% may be obtained for Rayleigh scattering, while the largest difference found for a haze L phase function was of the order of 0.1%.

Offshell quantum electrodynamics

NASA Astrophysics Data System (ADS)

Land, Martin; Horwitz, Lawrence P.

2013-04-01

In this paper, we develop the quantum field theory of off-shell electromagnetism, and use it to calculate the Møller scattering cross-section. This calculation leads to qualitative deviations from the usual scattering cross-sections, which are, however, small effects, but may be visible at small angles near the forward direction.

Signatures of Earth-scattering in the direct detection of Dark Matter

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

Kavanagh, Bradley J.; Catena, Riccardo; Kouvaris, Chris, E-mail: bkavanagh@lpthe.jussieu.fr, E-mail: catena@chalmers.se, E-mail: kouvaris@cp3.sdu.dk

Direct detection experiments search for the interactions of Dark Matter (DM) particles with nuclei in terrestrial detectors. But if these interactions are sufficiently strong, DM particles may scatter in the Earth, affecting their distribution in the lab. We present a new analytic calculation of this 'Earth-scattering' effect in the regime where DM particles scatter at most once before reaching the detector. We perform the calculation self-consistently, taking into account not only those particles which are scattered away from the detector, but also those particles which are deflected towards the detector. Taking into account a realistic model of the Earth andmore » allowing for a range of DM-nucleon interactions, we present the EARTHSHADOW code, which we make publicly available, for calculating the DM velocity distribution after Earth-scattering. Focusing on low-mass DM, we find that Earth-scattering reduces the direct detection rate at certain detector locations while increasing the rate in others. The Earth's rotation induces a daily modulation in the rate, which we find to be highly sensitive to the detector latitude and to the form of the DM-nucleon interaction. These distinctive signatures would allow us to unambiguously detect DM and perhaps even identify its interactions in regions of the parameter space within the reach of current and future experiments.« less

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.

Recent advances in quantum scattering calculations on polyatomic bimolecular reactions.

PubMed

Fu, Bina; Shan, Xiao; Zhang, Dong H; Clary, David C

2017-12-11

This review surveys quantum scattering calculations on chemical reactions of polyatomic molecules in the gas phase published in the last ten years. These calculations are useful because they provide highly accurate information on the dynamics of chemical reactions which can be compared in detail with experimental results. They also serve as quantum mechanical benchmarks for testing approximate theories which can more readily be applied to more complicated reactions. This review includes theories for calculating quantities such as rate constants which have many important scientific applications.

Formation of Kuiper-belt binaries through multiple chaotic scattering encounters with low-mass intruders

NASA Astrophysics Data System (ADS)

Astakhov, Sergey A.; Lee, Ernestine A.; Farrelly, David

2005-06-01

The discovery that many trans-Neptunian objects exist in pairs, or binaries, is proving invaluable for shedding light on the formation, evolution and structure of the outer Solar system. Based on recent systematic searches it has been estimated that up to 10 per cent of Kuiper-belt objects might be binaries. However, all examples discovered to date are unusual, as compared with near-Earth and main-belt asteroid binaries, for their mass ratios of the order of unity and their large, eccentric orbits. In this article we propose a common dynamical origin for these compositional and orbital properties based on four-body simulations in the Hill approximation. Our calculations suggest that binaries are produced through the following chain of events. Initially, long-lived quasi-bound binaries form by two bodies getting entangled in thin layers of dynamical chaos produced by solar tides within the Hill sphere. Next, energy transfer through gravitational scattering with a low-mass intruder nudges the binary into a nearby non-chaotic, stable zone of phase space. Finally, the binary hardens (loses energy) through a series of relatively gentle gravitational scattering encounters with further intruders. This produces binary orbits that are well fitted by Kepler ellipses. Dynamically, the overall process is strongly favoured if the original quasi-bound binary contains comparable masses. We propose a simplified model of chaotic scattering to explain these results. Our findings suggest that the observed preference for roughly equal-mass ratio binaries is probably a real effect; that is, it is not primarily due to an observational bias for widely separated, comparably bright objects. Nevertheless, we predict that a sizeable population of very unequal-mass Kuiper-belt binaries is probably awaiting discovery.

D-Wave Electron-H, -He+, and -Li2+ Elastic Scattering and Photoabsorption in P States of Two-Electron Systems

NASA Technical Reports Server (NTRS)

Bhatia, A. K.

2014-01-01

In previous papers [A. K. Bhatia, Phys. Rev. A 85, 052708 (2012); 86, 032709 (2012); 87, 042705 (2013)] electron-H, -He+, and -Li2+ P-wave scattering phase shifts were calculated using the variational polarized orbital theory. This method is now extended to the singlet and triplet D-wave scattering in the elastic region. The long-range correlations are included in the Schrodinger equation by using the method of polarized orbitals variationally. Phase shifts are compared to those obtained by other methods. The present calculation provides results which are rigorous lower bonds to the exact phase shifts. Using the presently calculated D-wave and previously calculated S-wave continuum functions, photoionization of singlet and triplet P states of He and Li+ are also calculated, along with the radiative recombination rate coefficients at various electron temperatures.

Evaluation of neutron thermalization parameters and benchmark reactor calculations using a synthetic scattering function for molecular gases

NASA Astrophysics Data System (ADS)

Gillette, V. H.; Patiño, N. E.; Granada, J. R.; Mayer, R. E.

1989-08-01

Using a synthetic incoherent scattering function which describes the interaction of neutrons with molecular gases we provide analytical expressions for zero- and first-order scattering kernels, σ0( E0 → E), σ1( E0 → E), and total cross section σ0( E0). Based on these quantities, we have performed calculations of thermalization parameters and transport coefficients for H 2O, D 2O, C 6H 6 and (CH 2) n at room temperature. Comparison of such values with available experimental data and other calculations is satisfactory. We also generated nuclear data libraries for H 2O with 47 thermal groups at 300 K and performed some benchmark calculations ( 235U, 239Pu, PWR cell and typical APWR cell); the resulting reactivities are compared with experimental data and ENDF/B-IV calculations.

Single scattering from nonspherical Chebyshev particles: A compendium of calculations

NASA Technical Reports Server (NTRS)

Wiscombe, W. J.; Mugnai, A.

1986-01-01

A large set of exact calculations of the scattering from a class of nonspherical particles known as Chebyshev particles' has been performed. Phase function and degree of polarization in random orientation, and parallel and perpendicular intensities in fixed orientations, are plotted for a variety of particles shapes and sizes. The intention is to furnish a data base against which both experimental data, and the predictions of approximate methods, can be tested. The calculations are performed with the widely-used Extended Boundary Condition Method. An extensive discussion of this method is given, including much material that is not easily available elsewhere (especially the analysis of its convergence properties). An extensive review is also given of all extant methods for nonspherical scattering calculations, as well as of the available pool of experimental data.

Characterization of single particle aerosols by elastic light scattering at multiple wavelengths

NASA Astrophysics Data System (ADS)

Lane, P. A.; Hart, M. B.; Jain, V.; Tucker, J. E.; Eversole, J. D.

2018-03-01

We describe a system to characterize individual aerosol particles using stable and repeatable measurement of elastic light scattering. The method employs a linear electrodynamic quadrupole (LEQ) particle trap. Charged particles, continuously injected by electrospray into this system, are confined to move vertically along the stability line in the center of the LEQ past a point where they are optically interrogated. Light scattered in the near forward direction was measured at three different wavelengths using time-division multiplexed collinear laser beams. We validated our method by comparing measured silica microsphere data for four selected diameters (0.7, 1.0, 1.5 and 2.0 μm) to a model of collected scattered light intensities based upon Lorenz-Mie scattering theory. Scattered light measurements at the different wavelengths are correlated, allowing us to distinguish and classify inhomogeneous particles.

Calculation of optical properties of dental composites as a basis for determining color impression and penetration depth of laser light

NASA Astrophysics Data System (ADS)

Weniger, Kirsten K.; Muller, Gerhard J.

2005-03-01

In order to achieve esthetic dental restorations, there should be no visible difference between restorative material and treated teeth. This requires a match of the optical properties of both restorative material and natural teeth. These optical properties are determined by absorption and scattering of light emerging not only on the surface but also inside the material. Investigating different dental composites in several shades, a method has been developed to calculate the optical parameters absorption coefficient μa, scattering coefficient μs, anisotropy factor g and reduced scattering coefficient μs'. The method includes sample preparation and measurements of transmittance and reflectance in an integrating sphere spectrometer, followed by inverse Monte Carlo simulations. Determination of optical properties is more precise and comprehensive than with the previously used Kubelka Munk theory because scattering can be looked at separated into pure scattering with the scattering coefficient μs and its direction with the anisotropy factor g. Moreover the use of the inverse Monte Carlo simulation not only minimizes systematic errors and considers the scattering phase function, but also takes into account the measuring geometry. The compilation of a data pool of optical parameters now enables the application of further calculation models as a basis for optimization of the composition of new materials. For example, a prediction of the general color impression for multiple layers can be carried out as well as the calculation of the wavelength dependent penetration depths of light with regard to photo polymerization. Further applications are possible in the area of laser ablation.

ELSEPA—Dirac partial-wave calculation of elastic scattering of electrons and positrons by atoms, positive ions and molecules

NASA Astrophysics Data System (ADS)

Salvat, Francesc; Jablonski, Aleksander; Powell, Cedric J.

2005-01-01

The FORTRAN 77 code system ELSEPA for the calculation of elastic scattering of electrons and positrons by atoms, positive ions and molecules is presented. These codes perform relativistic (Dirac) partial-wave calculations for scattering by a local central interaction potential V(r). For atoms and ions, the static-field approximation is adopted, with the potential set equal to the electrostatic interaction energy between the projectile and the target, plus an approximate local exchange interaction when the projectile is an electron. For projectiles with kinetic energies up to 10 keV, the potential may optionally include a semiempirical correlation-polarization potential to describe the effect of the target charge polarizability. Also, for projectiles with energies less than 1 MeV, an imaginary absorptive potential can be introduced to account for the depletion of the projectile wave function caused by open inelastic channels. Molecular cross sections are calculated by means of a single-scattering independent-atom approximation in which the electron density of a bound atom is approximated by that of the free neutral atom. Elastic scattering by individual atoms in solids is described by means of a muffin-tin model potential. Partial-wave calculations are feasible on modest personal computers for energies up to about 5 MeV. The ELSEPA code also implements approximate factorization methods that allow the fast calculation of elastic cross sections for much higher energies. The interaction model adopted in the calculations is defined by the user by combining the different options offered by the code. The nuclear charge distribution can be selected among four analytical models (point nucleus, uniformly charged sphere, Fermi's distribution and Helm's uniform-uniform distribution). The atomic electron density is handled in numerical form. The distribution package includes data files with electronic densities of neutral atoms of the elements hydrogen to lawrencium ( Z=1-103) obtained from multiconfiguration Dirac-Fock self-consistent calculations. For comparison purposes, three simple analytical approximations to the electron density of neutral atoms (corresponding to the Thomas-Fermi, the Thomas-Fermi-Dirac and the Dirac-Hartree-Fock-Slater models) are also included. For calculations of elastic scattering by ions, the electron density should be provided by the user. The exchange potential for electron scattering can be selected among three different analytical approximations (Thomas-Fermi, Furness-McCarthy, Riley-Truhlar). The offered options for the correlation-polarization potential are based on the empirical Buckingham potential. The imaginary absorption potential is calculated from the local-density approximation proposed by Salvat [Phys. Rev. A 68 (2003) 012708]. Program summaryTitle of program:ELSEPA Catalogue identifier: ADUS Program summary URL:http://cpc.cs.qub.ac.uk/cpc/summaries/ADUS Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland License provisions: none Computer for which the program is designed and others in which it is operable: Any computer with a FORTRAN 77 compiler Operating systems under which the program has been tested: Windows XP, Windows 2000, Debian GNU/Linux 3.0r0 (sarge) Compilers:Compaq Visual Fortran v6.5 (Windows); GNU FORTRAN, g77 (Windows and Linux) Programming language used: FORTRAN 77 No. of bits in a word: 32 Memory required to execute with typical data: 0.6 Mb No. of lines in distributed program, including test data, etc.:135 489 No. of bytes in distributed program, including test data, etc.: 1 280 006 Distribution format: tar.gz Keywords: Dirac partial-wave analysis, electron elastic scattering, positron elastic scattering, differential cross sections, momentum transfer cross sections, transport cross sections, scattering amplitudes, spin polarization, scattering by complex potentials, high-energy atomic screening functions Nature of the physical problem: The code calculates differential cross sections, total cross sections and transport cross sections for single elastic scattering of electrons and positrons by neutral atoms, positive ions and randomly oriented molecules. For projectiles with kinetic energies less than about 5 MeV, the programs can also compute scattering amplitudes and spin polarization functions. Method of solution: The effective interaction between the projectile and a target atom is represented by a local central potential that can optionally include an imaginary (absorptive) part to account approximately for the coupling with inelastic channels. For projectiles with kinetic energy less that about 5 MeV, the code performs a conventional relativistic Dirac partial-wave analysis. For higher kinetic energies, where the convergence of the partial-wave series is too slow, approximate factorization methods are used. Restrictions on the complexity of the program: The calculations are based on the static-field approximation. The optional correlation-polarization and inelastic absorption corrections are obtained from approximate, semiempirical models. Calculations for molecules are based on a single-scattering independent-atom approximation. To ensure accuracy of the results for scattering by ions, the electron density of the ion must be supplied by the user. Typical running time: on a 2.8 GHz Pentium 4, the calculation of elastic scattering by atoms and ions takes between a few seconds and about two minutes, depending on the atomic number of the target, the adopted potential model and the kinetic energy of the projectile. Unusual features of the program: The program calculates elastic cross sections for electrons and positrons with kinetic energies in a wide range, from a few tens of eV up to about 1 GeV. Calculations can be performed for neutral atoms of all elements, from hydrogen to lawrencium ( Z=1-103), ions and simple molecules. Commercial products are identified to specify the calculational procedures. Such identification does not imply recommendation or endorsement by the National Institute of Standards and Technology, the University of Barcelona or the Polish Academy of Sciences, nor does it imply that the products are necessarily the best available for the purpose.

Effect of void shape in Czochralski-Si wafers on the intensity of laser-scattering

NASA Astrophysics Data System (ADS)

Takahashi, J.; Kawakami, K.; Nakai, K.

2001-06-01

The shape effect of anisotropic-shaped microvoid defects in Czochralski-grown silicon wafers on the intensity of laser scattering has been investigated. The size and shape of the defects were examined by means of transmission electron microscopy. Octahedral voids in conventional (nitrogen-undoped) wafers showed an almost isotropic scattering property under the incident condition of a p-polarization beam. On the other hand, parallelepiped-plate-shaped voids in nitrogen-doped wafers showed an anisotropic scattering property on both p- and s-polarized components of scattered light, depending strongly on the incident laser direction. The measured results were explained not by scattering calculation using Born approximation but by calculation based on Rayleigh scattering. It was found that the s component is explained by an inclination of a dipole moment induced on a defect from the scattering plane. Furthermore, using numerical electromagnetic analysis it was shown that the asymmetric behavior of the s component on the parallelepiped-plate voids is ascribed to the parallelepiped shape effect. These results suggest that correction of the scattering intensity is necessary to evaluate the size and volume of anisotropic-shaped defects from the scattered intensity.

A computer graphics based model for scattering from objects of arbitrary shapes in the optical region

NASA Technical Reports Server (NTRS)

Goel, Narendra S.; Rozehnal, Ivan; Thompson, Richard L.

1991-01-01

A computer-graphics-based model, named DIANA, is presented for generation of objects of arbitrary shape and for calculating bidirectional reflectances and scattering from them, in the visible and infrared region. The computer generation is based on a modified Lindenmayer system approach which makes it possible to generate objects of arbitrary shapes and to simulate their growth, dynamics, and movement. Rendering techniques are used to display an object on a computer screen with appropriate shading and shadowing and to calculate the scattering and reflectance from the object. The technique is illustrated with scattering from canopies of simulated corn plants.

Vibrational excitation and vibrationally resolved electronic excitation cross sections of positron-H2 scattering

NASA Astrophysics Data System (ADS)

Zammit, Mark; Fursa, Dmitry; Savage, Jeremy; Bray, Igor

2016-09-01

Vibrational excitation and vibrationally resolved electronic excitation cross sections of positron-H2 scattering have been calculated using the single-centre molecular convergent close-coupling (CCC) method. The adiabatic-nuclei approximation was utilized to model the above scattering processes and obtain the vibrationally resolved positron-H2 scattering length. As previously demonstrated, the CCC results are converged and accurately account for virtual and physical positronium formation by coupling basis functions with large orbital angular momentum. Here vibrationally resolved integrated and differential cross sections are presented over a wide energy range and compared with previous calculations and available experiments. Los Alamos National Laboratory and Curtin University.

Study of 11Li+p elastic scattering using BHF formalism with three body force

NASA Astrophysics Data System (ADS)

Sharma, Manjari; Haider, W.

2018-04-01

In the present work we have analyzed the elastic scattering data of 11Li + p at 62, 68.4 and 75 MeV/nucleon, using the microscopic optical potential calculated within the framework of Brueckner-Hartree-Fock formalism (BHF). The calculation uses Argonne v18 and Urbana v14 inter-nucleon potentials and the Urbana IX (UVIX) model of three body force. The required nucleon-density distributions for 11Li are obtained using the semi-phenomenological model for nuclear density distributions. The optical potential has been obtained by folding the g-matrices as calculated in BHF (with and without three body forces) over the nucleon density distributions. We have used the exact method for calculating both the direct and the exchange parts of the spin-orbit potential. Our results reveal that the spin-orbit potential significantly contributes to 11Li+p elastic scattering at all three incident energies. Further, the calculated spin-orbit potential in BHF is much smaller and more diffused as compared with the phenomenological spin-orbit potential. The analysis reveals that the calculated microscopic optical potentials, with and without three body force using BHF approach with phenomenological form of density distribution, provides satisfactory agreement with the elastic scattering data for 11Li+p.

Semiempirical potentials for positron scattering by atoms

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

Assafrao, Denise; Walters, H. R. J.; Arretche, Felipe

2011-08-15

We report calculations of differential and integral cross sections for positron scattering by noble gas and alkaline-earth atoms within the same methodology. The scattering potentials are constructed by scaling adiabatic potentials so that their minima coincide with the covalent radii of the target atoms. Elastic differential and integral cross sections are calculated for Ne, Ar, Be, and Mg, and the results are very close to experimental and best theoretical data. Particularly, elastic differential cross sections for Be and Mg at low energies are reported.

Stable phantom materials for ultrasound and optical imaging.

PubMed

Cabrelli, Luciana C; Pelissari, Pedro I B G B; Deana, Alessandro M; Carneiro, Antonio A O; Pavan, Theo Z

2017-01-21

Phantoms mimicking the specific properties of biological tissues are essential to fully characterize medical devices. Water-based materials are commonly used to manufacture phantoms for ultrasound and optical imaging techniques. However, these materials have disadvantages, such as easy degradation and low temporal stability. In this study, we propose an oil-based new tissue-mimicking material for ultrasound and optical imaging, with the advantage of presenting low temporal degradation. A styrene-ethylene/butylene-styrene (SEBS) copolymer in mineral oil samples was made varying the SEBS concentration between 5%-15%, and low-density polyethylene (LDPE) between 0%-9%. Acoustic properties, such as the speed of sound and the attenuation coefficient, were obtained using frequencies ranging from 1-10 MHz, and were consistent with that of soft tissues. These properties were controlled varying SEBS and LDPE concentration. To characterize the optical properties of the samples, the diffuse reflectance and transmittance were measured. Scattering and absorption coefficients ranging from 400 nm-1200 nm were calculated for each compound. SEBS gels are a translucent material presenting low optical absorption and scattering coefficients in the visible region of the spectrum, but the presence of LDPE increased the turbidity. Adding LDPE increased the absorption and scattering of the phantom materials. Ultrasound and photoacoustic images of a heterogeneous phantom made of LDPE/SEBS containing a spherical inclusion were obtained. Annatto dye was added to the inclusion to enhance the optical absorbance. The results suggest that copolymer gels are promising for ultrasound and optical imaging, making them also potentially useful for photoacoustic imaging.

Stable phantom materials for ultrasound and optical imaging

NASA Astrophysics Data System (ADS)

Cabrelli, Luciana C.; Pelissari, Pedro I. B. G. B.; Deana, Alessandro M.; Carneiro, Antonio A. O.; Pavan, Theo Z.

2017-01-01

Phantoms mimicking the specific properties of biological tissues are essential to fully characterize medical devices. Water-based materials are commonly used to manufacture phantoms for ultrasound and optical imaging techniques. However, these materials have disadvantages, such as easy degradation and low temporal stability. In this study, we propose an oil-based new tissue-mimicking material for ultrasound and optical imaging, with the advantage of presenting low temporal degradation. A styrene-ethylene/butylene-styrene (SEBS) copolymer in mineral oil samples was made varying the SEBS concentration between 5%-15%, and low-density polyethylene (LDPE) between 0%-9%. Acoustic properties, such as the speed of sound and the attenuation coefficient, were obtained using frequencies ranging from 1-10 MHz, and were consistent with that of soft tissues. These properties were controlled varying SEBS and LDPE concentration. To characterize the optical properties of the samples, the diffuse reflectance and transmittance were measured. Scattering and absorption coefficients ranging from 400 nm-1200 nm were calculated for each compound. SEBS gels are a translucent material presenting low optical absorption and scattering coefficients in the visible region of the spectrum, but the presence of LDPE increased the turbidity. Adding LDPE increased the absorption and scattering of the phantom materials. Ultrasound and photoacoustic images of a heterogeneous phantom made of LDPE/SEBS containing a spherical inclusion were obtained. Annatto dye was added to the inclusion to enhance the optical absorbance. The results suggest that copolymer gels are promising for ultrasound and optical imaging, making them also potentially useful for photoacoustic imaging.

Laser pulsing in linear Compton scattering

DOE PAGES

Krafft, G. A.; Johnson, E.; Deitrick, K.; ...

2016-12-16

Previous work on calculating energy spectra from Compton scattering events has either neglected considering the pulsed structure of the incident laser beam, or has calculated these effects in an approximate way subject to criticism. In this paper, this problem has been reconsidered within a linear plane wave model for the incident laser beam. By performing the proper Lorentz transformation of the Klein-Nishina scattering cross section, a spectrum calculation can be created which allows the electron beam energy spread and emittance effects on the spectrum to be accurately calculated, essentially by summing over the emission of each individual electron. Such anmore » approach has the obvious advantage that it is easily integrated with a particle distribution generated by particle tracking, allowing precise calculations of spectra for realistic particle distributions in collision. The method is used to predict the energy spectrum of radiation passing through an aperture for the proposed Old Dominion University inverse Compton source. In addition, as discussed in the body of the paper, many of the results allow easy scaling estimates to be made of the expected spectrum. A misconception in the literature on Compton scattering of circularly polarized beams is corrected and recorded.« less

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

NASA Technical Reports Server (NTRS)

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

1975-01-01

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

Universal dimer–dimer scattering in lattice effective field theory

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

Elhatisari, Serdar; Katterjohn, Kris; Lee, Dean

We consider two-component fermions with short-range interactions and large scattering length. This system has universal properties that are realized in several different fields of physics. In the limit of large fermion–fermion scattering length a ff and zero-range interaction, all properties of the system scale proportionally with a ff. For the case with shallow bound dimers, we calculate the dimer–dimer scattering phase shifts using lattice effective field theory. We extract the universal dimer–dimer scattering length a dd/a ff=0.618(30) and effective range r dd/a ff=-0.431(48). This result for the effective range is the first calculation with quantified and controlled systematic errors. Wemore » also benchmark our methods by computing the fermion–dimer scattering parameters and testing some predictions of conformal scaling of irrelevant operators near the unitarity limit.« less

Universal dimer–dimer scattering in lattice effective field theory

DOE PAGES

Elhatisari, Serdar; Katterjohn, Kris; Lee, Dean; ...

2017-03-14

We consider two-component fermions with short-range interactions and large scattering length. This system has universal properties that are realized in several different fields of physics. In the limit of large fermion–fermion scattering length a ff and zero-range interaction, all properties of the system scale proportionally with a ff. For the case with shallow bound dimers, we calculate the dimer–dimer scattering phase shifts using lattice effective field theory. We extract the universal dimer–dimer scattering length a dd/a ff=0.618(30) and effective range r dd/a ff=-0.431(48). This result for the effective range is the first calculation with quantified and controlled systematic errors. Wemore » also benchmark our methods by computing the fermion–dimer scattering parameters and testing some predictions of conformal scaling of irrelevant operators near the unitarity limit.« less

Empirical determination of collimator scatter data for use in Radcalc commercial monitor unit calculation software: Implication for prostate volumetric modulated-arc therapy calculations.

PubMed

Richmond, Neil; Tulip, Rachael; Walker, Chris

2016-01-01

The aim of this work was to determine, by measurement and independent monitor unit (MU) check, the optimum method for determining collimator scatter for an Elekta Synergy linac with an Agility multileaf collimator (MLC) within Radcalc, a commercial MU calculation software package. The collimator scatter factors were measured for 13 field shapes defined by an Elekta Agility MLC on a Synergy linac with 6MV photons. The value of the collimator scatter associated with each field was also calculated according to the equation Sc=Sc(mlc)+Sc(corr)(Sc(open)-Sc(mlc)) with Sc(corr) varied between 0 and 1, where Sc(open) is the value of collimator scatter calculated from the rectangular collimator-defined field and Sc(mlc) the value using only the MLC-defined field shape by applying sector integration. From this the optimum value of the correction was determined as that which gives the minimum difference between measured and calculated Sc. Single (simple fluence modulation) and dual-arc (complex fluence modulation) treatment plans were generated on the Monaco system for prostate volumetric modulated-arc therapy (VMAT) delivery. The planned MUs were verified by absolute dose measurement in phantom and by an independent MU calculation. The MU calculations were repeated with values of Sc(corr) between 0 and 1. The values of the correction yielding the minimum MU difference between treatment planning system (TPS) and check MU were established. The empirically derived value of Sc(corr) giving the best fit to the measured collimator scatter factors was 0.49. This figure however was not found to be optimal for either the single- or dual-arc prostate VMAT plans, which required 0.80 and 0.34, respectively, to minimize the differences between the TPS and independent-check MU. Point dose measurement of the VMAT plans demonstrated that the TPS MUs were appropriate for the delivered dose. Although the value of Sc(corr) may be obtained by direct comparison of calculation with measurement, the efficacy of the value determined for VMAT-MU calculations are very much dependent on the complexity of the MLC delivery. Copyright © 2016 American Association of Medical Dosimetrists. Published by Elsevier Inc. All rights reserved.

Memory sparing, fast scattering formalism for rigorous diffraction modeling

NASA Astrophysics Data System (ADS)

Iff, W.; Kämpfe, T.; Jourlin, Y.; Tishchenko, A. V.

2017-07-01

The basics and algorithmic steps of a novel scattering formalism suited for memory sparing and fast electromagnetic calculations are presented. The formalism, called ‘S-vector algorithm’ (by analogy with the known scattering-matrix algorithm), allows the calculation of the collective scattering spectra of individual layered micro-structured scattering objects. A rigorous method of linear complexity is applied to model the scattering at individual layers; here the generalized source method (GSM) resorting to Fourier harmonics as basis functions is used as one possible method of linear complexity. The concatenation of the individual scattering events can be achieved sequentially or in parallel, both having pros and cons. The present development will largely concentrate on a consecutive approach based on the multiple reflection series. The latter will be reformulated into an implicit formalism which will be associated with an iterative solver, resulting in improved convergence. The examples will first refer to 1D grating diffraction for the sake of simplicity and intelligibility, with a final 2D application example.

Electron-induced scattering dynamics of Boron, Aluminium and Gallium trihalides in the intermediate energy domain

NASA Astrophysics Data System (ADS)

Verma, Pankaj; Alam, Mohammad Jane; Ahmad, Shabbir; Antony, Bobby

2018-05-01

This article is focused on the calculation of electron-induced ionisation and total scattering cross sections by Boron, Aluminium and Gallium trihalide molecules in the intermediate energy domain. The computational formalism, spherical complex optical potential has been employed for the study of these two scattering cross sections. The ionisation cross section has been derived from the inelastic cross section using a semi-empirical method called complex scattering potential-ionisation contribution (CSP-ic) method. We have also calculated the ionisation cross section using the BEB theory with Hartree-Fock and density functional theory (DFT- ωB97XD) orbitals so that a comparison can be made with the cross sections predicted by CSP-ic method. For this theoretical study, we have also calculated polarisability and bond length of some targets which were not found in literature using DFT/B3LYP in Gaussian 09 software.

Calculation of Thomson scattering spectral fits for interpenetrating flows

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

Swadling, G. F., E-mail: george.swadling@imperial.ac.uk; Lebedev, S. V., E-mail: george.swadling@imperial.ac.uk; Burdiak, G. C.

2014-12-15

Collective mode optical Thomson scattering has been used to investigate the interactions of radially convergent ablation flows in Tungsten wire arrays. These experiments were carried out at the Magpie pulsed power facility at Imperial College, London. Analysis of the scattered spectra has provided direct evidence of ablation stream interpenetration on the array axis, and has also revealed a previously unobserved axial deflection of the ablation streams towards the anode as they approach the axis. It is has been suggested that this deflection is caused by the presence of a static magnetic field, advected with the ablation streams, stagnated and accruedmore » around the axis. Analysis of the Thomson scattering spectra involved the calculation and fitting of the multi-component, non-relativistic, Maxwellian spectral density function S (k, ω). The method used to calculate the fits of the data are discussed in detail.« less

Four-phonon scattering significantly reduces intrinsic thermal conductivity of solids

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

Feng, Tianli; Lindsay, Lucas R.; Ruan, Xiulin

We rigorously calculate intrinsic phonon thermal resistance from four-phonon scattering processesusing rst principles Boltzmann transport methods. Fundamental questions concerning the role ofhigher order scattering at high temperature and in systems with otherwise weak intrinsic scatteringare answered. Using diamond and silicon as benchmark materials, the predicted thermal conductiv-ity including intrinsic four-phonon resistance gives signicantly better agreement with measurementsat high temperatures than previous rst principles calculations. In the predicted ultrahigh thermalconductivity material, zincblende BAs, four-phonon scattering is strikingly strong when comparedto three-phonon processes, even at room temperature, as the latter have an extremely limited phasespace for scattering. Including four-phonon thermal resistance reducesmore » the predicted thermal con-ductivity of BAs from 2200 W/m-K to 1400 W/m-K.« less

Calibration of the forward-scattering spectrometer probe - Modeling scattering from a multimode laser beam

NASA Technical Reports Server (NTRS)

Hovenac, Edward A.; Lock, James A.

1993-01-01

Scattering calculations using a detailed model of the multimode laser beam in the forward-scattering spectrometer probe (FSSP) were carried out using a recently developed extension to Mie scattering theory. From this model, new calibration curves for the FSSP were calculated. The difference between the old calibration curves and the new ones is small for droplet diameters less than 10 microns, but the difference increases to approximately 10 percent at diameters of 50 microns. When using glass beads to calibrate the FSSP, calibration errors can be minimized by using glass beads of many different diameters, over the entire range of the FSSP. If the FSSP is calibrated using one-diameter glass beads, then the new formalism is necessary to extrapolate the calibration over the entire range.

Calibration of the Forward-scattering Spectrometer Probe: Modeling Scattering from a Multimode Laser Beam

NASA Technical Reports Server (NTRS)

Hovenac, Edward A.; Lock, James A.

1993-01-01

Scattering calculations using a more detailed model of the multimode laser beam in the forward-scattering spectrometer probe (FSSP) were carried out by using a recently developed extension to Mie scattering theory. From this model, new calibration curves for the FSSP were calculated. The difference between the old calibration curves and the new ones is small for droplet diameters less than 10 micrometers, but the difference increases to approximately 10% at diameters of 50 micrometers. When using glass beads to calibrate the FSSP, calibration errors can be minimized, by using glass beads of many different diameters, over the entire range of the FSSP. If the FSSP is calibrated using one-diameter glass beads, then the new formalism is necessary to extrapolate the calibration over the entire range.

Four-phonon scattering significantly reduces intrinsic thermal conductivity of solids

DOE PAGES

Feng, Tianli; Lindsay, Lucas R.; Ruan, Xiulin

2017-10-27

We rigorously calculate intrinsic phonon thermal resistance from four-phonon scattering processesusing rst principles Boltzmann transport methods. Fundamental questions concerning the role ofhigher order scattering at high temperature and in systems with otherwise weak intrinsic scatteringare answered. Using diamond and silicon as benchmark materials, the predicted thermal conductiv-ity including intrinsic four-phonon resistance gives signicantly better agreement with measurementsat high temperatures than previous rst principles calculations. In the predicted ultrahigh thermalconductivity material, zincblende BAs, four-phonon scattering is strikingly strong when comparedto three-phonon processes, even at room temperature, as the latter have an extremely limited phasespace for scattering. Including four-phonon thermal resistance reducesmore » the predicted thermal con-ductivity of BAs from 2200 W/m-K to 1400 W/m-K.« less

Modeling and analysis of multiple scattering of acoustic waves in complex media: application to the trabecular bone.

PubMed

Wojcik, J; Litniewski, J; Nowicki, A

2011-10-01

The integral equations that describe scattering in the media with step-rise changing parameters have been numerically solved for the trabecular bone model. The model consists of several hundred discrete randomly distributed elements. The spectral distribution of scattering coefficients in subsequent orders of scattering has been presented. Calculations were carried on for the ultrasonic frequency ranging from 0.5 to 3 MHz. Evaluation of the contribution of the first, second, and higher scattering orders to total scattering of the ultrasounds in trabecular bone was done. Contrary to the approaches that use the μCT images of trabecular structure to modeling of the ultrasonic wave propagation condition, the 3D numerical model consisting of cylindrical elements mimicking the spatial matrix of trabeculae, was applied. The scattering, due to interconnections between thick trabeculae, usually neglected in trabecular bone models, has been included in calculations when the structure backscatter was evaluated. Influence of the absorption in subsequent orders of scattering is also addressed. Results show that up to 1.5 MHz, the influence of higher scattering orders on the total scattered field characteristic can be neglected while for the higher frequencies, the relatively high amplitude interference peaks in higher scattering orders clearly occur. © 2011 Acoustical Society of America

Lattice QCD Calculation of Hadronic Light-by-Light Scattering.

PubMed

Green, Jeremy; Gryniuk, Oleksii; von Hippel, Georg; Meyer, Harvey B; Pascalutsa, Vladimir

2015-11-27

We perform a lattice QCD calculation of the hadronic light-by-light scattering amplitude in a broad kinematical range. At forward kinematics, the results are compared to a phenomenological analysis based on dispersive sum rules for light-by-light scattering. The size of the pion pole contribution is investigated for momenta of typical hadronic size. The presented numerical methods can be used to compute the hadronic light-by-light contribution to the anomalous magnetic moment of the muon. Our calculations are carried out in two-flavor QCD with the pion mass in the range of 270-450 MeV and contain so far only the diagrams with fully connected quark lines.

Computational and Experimental Characterization of Five Crystal Forms of Thymine: Packing Polymorphism, Polytypism/Disorder and Stoichiometric 0.8-Hydrate.

PubMed

Braun, Doris E; Gelbrich, Thomas; Wurst, Klaus; Griesser, Ulrich J

2016-06-01

New polymorphs of thymine emerged in an experimental search for solid forms, which was guided by the computationally generated crystal energy landscape. Three of the four anhydrates (AH) are homeoenergetic ( A° - C ) and their packing modes differ only in the location of oxygen and hydrogen atoms. AHs A° and B are ordered phases, whereas AH C shows disorder (X-ray diffuse scattering). Anhydrates AHs A° and B are ordered phases, whereas AH C shows disorder (X-ray diffuse scattering). Analysis of the crystal energy landscape for alternative AH C hydrogen bonded ribbon motifs identified a number of different packing modes, whose 3D structures were calculated to deviate by less than 0.24 kJ mol -1 in lattice energy. These structures provide models for stacking faults. The three anhydrates A ° - C show strong similarity in their powder X-ray diffraction, thermoanalytical and spectroscopic (IR and Raman) characteristics. The already known anhydrate AH A ° was identified as the thermodynamically most stable form at ambient conditions; AH B and AH C are metastable but show high kinetic stability. The hydrate of thymine is stable only at water activities ( a w ) > 0.95 at temperatures ≤ 25 °C. It was found to be a stoichiometric hydrate despite being a channel hydrate with an unusual water:thymine ratio of 0.8:1. Depending on the dehydration conditions, either AH C or AH D is obtained. The hydrate is the only known precursor to AH D . This study highlights the value and complementarity of simultaneous explorations of computationally and experimentally generated solid form landscapes of a small molecule anhydrate ↔ hydrate system.

Computational and Experimental Characterization of Five Crystal Forms of Thymine: Packing Polymorphism, Polytypism/Disorder and Stoichiometric 0.8-Hydrate

PubMed Central

Braun, Doris E.; Gelbrich, Thomas; Wurst, Klaus; Griesser, Ulrich J.

2017-01-01

New polymorphs of thymine emerged in an experimental search for solid forms, which was guided by the computationally generated crystal energy landscape. Three of the four anhydrates (AH) are homeoenergetic (A° – C) and their packing modes differ only in the location of oxygen and hydrogen atoms. AHs A° and B are ordered phases, whereas AH C shows disorder (X-ray diffuse scattering). Anhydrates AHs A° and B are ordered phases, whereas AH C shows disorder (X-ray diffuse scattering). Analysis of the crystal energy landscape for alternative AH C hydrogen bonded ribbon motifs identified a number of different packing modes, whose 3D structures were calculated to deviate by less than 0.24 kJ mol–1 in lattice energy. These structures provide models for stacking faults. The three anhydrates A° – C show strong similarity in their powder X-ray diffraction, thermoanalytical and spectroscopic (IR and Raman) characteristics. The already known anhydrate AH A° was identified as the thermodynamically most stable form at ambient conditions; AH B and AH C are metastable but show high kinetic stability. The hydrate of thymine is stable only at water activities (aw) > 0.95 at temperatures ≤ 25 °C. It was found to be a stoichiometric hydrate despite being a channel hydrate with an unusual water:thymine ratio of 0.8:1. Depending on the dehydration conditions, either AH C or AH D is obtained. The hydrate is the only known precursor to AH D. This study highlights the value and complementarity of simultaneous explorations of computationally and experimentally generated solid form landscapes of a small molecule anhydrate ↔ hydrate system. PMID:28663717

A microwave backscattering model for precipitation

NASA Astrophysics Data System (ADS)

Ermis, Seda

A geophysical microwave backscattering model for space borne and ground-based remote sensing of precipitation is developed and used to analyze backscattering measurements from rain and snow type precipitation. Vector Radiative Transfer (VRT) equations for a multilayered inhomogeneous medium are applied to the precipitation region for calculation of backscattered intensity. Numerical solution of the VRT equation for multiple layers is provided by the matrix doubling method to take into account close range interactions between particles. In previous studies, the VRT model was used to calculate backscattering from a rain column on a sea surface. In the model, Mie scattering theory for closely spaced scatterers was used to determine the phase matrix for each sublayer characterized by a set of parameters. The scatterers i.e. rain drops within the sublayers were modelled as spheres with complex permittivities. The rain layer was bounded by rough boundaries; the interface between the cloud and the rain column as well as the interface between the sea surface and the rain were all analyzed by using the integral equation model (IEM). Therefore, the phase matrix for the entire rain column was generated by the combination of surface and volume scattering. Besides Mie scattering, in this study, we use T-matrix approach to examine the effect of the shape to the backscattered intensities since larger raindrops are most likely oblique in shape. Analyses show that the effect of obliquity of raindrops to the backscattered wave is related with size of the scatterers and operated frequency. For the ground-based measurement system, the VRT model is applied to simulate the precipitation column on horizontal direction. Therefore, the backscattered reflectivities for each unit range of volume are calculated from the backscattering radar cross sections by considering radar range and effective illuminated area of the radar beam. The volume scattering phase matrices for each range interval are calculated by Mie scattering theory. VRT equations are solved by matrix doubling method to compute phase matrix for entire radar beam. Model results are validated with measured data by X-band dual polarization Phase Tilt Weather Radar (PTWR) for snow, rain, wet hail type precipitation. The geophysical parameters given the best fit with measured reflectivities are used in previous models i.e. Rayleigh Approximation and Mie scattering and compared with the VRT model. Results show that reflectivities calculated by VRT models are differed up to 10 dB from the Rayleigh approximation model and up to 5 dB from the Mie Scattering theory due to both multiple scattering and attenuation losses for the rain rates as high as 80 mm/h.

Nonlinear optical response in narrow graphene nanoribbons

NASA Astrophysics Data System (ADS)

Karimi, Farhad; Knezevic, Irena

We present an iterative method to calculate the nonlinear optical response of armchair graphene nanoribbons (aGNRs) and zigzag graphene nanoribbons (zGNRs) while including the effects of dissipation. In contrast to methods that calculate the nonlinear response in the ballistic (dissipation-free) regime, here we obtain the nonlinear response of an electronic system to an external electromagnetic field while interacting with a dissipative environment (to second order). We use a self-consistent-field approach within a Markovian master-equation formalism (SCF-MMEF) coupled with full-wave electromagnetic equations, and we solve the master equation iteratively to obtain the higher-order response functions. We employ the SCF-MMEF to calculate the nonlinear conductance and susceptibility, as well as to calculate the dependence of the plasmon dispersion and plasmon propagation length on the intensity of the electromagnetic field in GNRs. The electron scattering mechanisms included in this work are scattering with intrinsic phonons, ionized impurities, surface optical phonons, and line-edge roughness. Unlike in wide GNRs, where ionized-impurity scattering dominates dissipation, in ultra-narrow nanoribbons on polar substrates optical-phonon scattering and ionized-impurity scattering are equally prominent. Support by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award DE-SC0008712.

Spectral peculiarities of electromagnetic wave scattering by Veselago's cylinders

NASA Astrophysics Data System (ADS)

Sukhov, S. V.; Shevyakhov, N. S.

2006-03-01

The results are presented of spectral calculations of extinction cross-section for scattering of E- and H-polarized electromagnetic waves by cylinders made of Veselago material. The insolvency of previously developed models of scattering is demonstrated. It is shown that correct description of scattering requires separate consideration of both electric and magnetic subsystems.

Spectral peculiarities of electromagnetic wave scattered by Veselago's cylinders

NASA Astrophysics Data System (ADS)

Sukhov, S. V.; Shevyakhov, N. S.

2005-09-01

The results are presented of spectral calculations of extinction cross-section for scattering of E- and H-polarized electromagnetic waves by cylinders made of Veselago material. The insolvency of previously developed models of scattering is demonstrated. It is shown that correct description of scattering requires separate consideration of both electric and magnetic subsystems.

First principles calculation of lattice thermal conductivity of metals considering phonon-phonon and phonon-electron scattering

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

Wang, Yan; Lu, Zexi; Ruan, Xiulin, E-mail: ruan@purdue.edu

2016-06-14

The effect of phonon-electron (p-e) scattering on lattice thermal conductivity is investigated for Cu, Ag, Au, Al, Pt, and Ni. We evaluate both phonon-phonon (p-p) and p-e scattering rates from first principles and calculate the lattice thermal conductivity (κ{sub L}). It is found that p-e scattering plays an important role in determining the κ{sub L} of Pt and Ni at room temperature, while it has negligible effect on the κ{sub L} of Cu, Ag, Au, and Al. Specifically, the room temperature κ{sub L}s of Cu, Ag, Au, and Al predicted from density-functional theory calculations with the local density approximation aremore » 16.9, 5.2, 2.6, and 5.8 W/m K, respectively, when only p-p scattering is considered, while it is almost unchanged when p-e scattering is also taken into account. However, the κ{sub L} of Pt and Ni is reduced from 7.1 and 33.2 W/m K to 5.8 and 23.2 W/m K by p-e scattering. Even though Al has quite high electron-phonon coupling constant, a quantity that characterizes the rate of heat transfer from hot electrons to cold phonons in the two-temperature model, p-e scattering is not effective in reducing κ{sub L} owing to the relatively low p-e scattering rates in Al. The difference in the strength of p-e scattering in different metals can be qualitatively understood by checking the amount of electron density of states that is overlapped with the Fermi window. Moreover, κ{sub L} is found to be comparable to the electronic thermal conductivity in Ni.« less

Probing the structure of the stable Xe isotopes with inelastic neutron scattering

NASA Astrophysics Data System (ADS)

Peters, Erin E.; Ross, Timothy J.; Crider, Benjamin P.; Yates, Steven W.

2018-05-01

The stable isotopes of xenon, which have attracted interest for a number of reasons, span a transitional region that evolves from γ-soft structures for the lighter mass isotopes to nearly spherical 136Xe with a closed neutron shell. The nature of this transition, which is gradual, is not well understood. To provide detailed spectroscopic information on the Xe isotopes, we have studied 130,132,134,136Xe at the University of Kentucky Accelerator Laboratory using inelastic neutron scattering and γ-ray detection. These measurements yielded γ-ray angular distributions, branching ratios, multipole mixing ratios, and level lifetimes (from the Doppler-shift attenuation method), which allowed the determination of reduced transition probabilities and provided insight into the structure of these nuclei.

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.

SRS in the single molecule limit (Conference Presentation)

NASA Astrophysics Data System (ADS)

Potma, Eric O.; Crampton, Kevin T.; Fast, Alexander; Apkarian, Vartkess A.

2017-02-01

We present combined surface-enhanced stimulated Raman scattering (SE-SRS) and surface-enhanced coherent anti-Stokes Raman scattering (SE-CARS) measurements on individual plasmonic antennas dressed with bipyridyl-ethylene molecules. By carefully optimizing the conditions for performing SE-SRS experiments, we have obtained stable and reproducible molecular surface-enhanced SRS spectra from single nano-antennas. Using surface-enhanced Raman scattering (SERS) and transmission electron microscopy of the same antennas, we confirm that the observed SE-SRS signals originate from only one or a few molecules. We highlight the physics of surface enhancement in the context of coherent Raman scattering and derive sensitivity parameters under the relevant conditions. The implications of single molecule SRS measurements are discussed.

Electron scattering from gas phase cis-diamminedichloroplatinum(II): Quantum analysis of resonance dynamics

NASA Astrophysics Data System (ADS)

Carey, Ralph; Lucchese, Robert R.; Gianturco, F. A.

2013-05-01

We present scattering calculations of electron collisions with the platinum-containing compound cis-diamminedichloroplatinum (CDDP), commonly known as cisplatin, between 0.5 eV and 6 eV, and the corresponding isolated Pt atom from 0.1 eV to 10 eV. We find evidence of resonances in e--CDDP scattering, using an ab initio description of the target. We computed scattering matrix elements from equations incorporating exchange and polarization effects through the use of the static-exchange plus density functional correlation potential. Additionally, we made use of a purely local adiabatic model potential that allows Siegert eigenstates to be calculated, thereby allowing inspection of the possible resonant scattering wave functions. The total cross section for electron scattering from (5d10) 1S Pt displays a large magnitude, monotonic decay from the initial collision energies, with no apparent resonance scattering features in any scattering symmetry. By contrast, the e--CDDP scattering cross section shows a small feature near 3.8 eV, which results from a narrow, well localized resonance of b2 symmetry. These findings are then related to the possible electron-mediated mechanism of the action of CDDP on DNA replication as suggested by recent experiments.

Electromagnetic wave scattering from rough terrain

NASA Astrophysics Data System (ADS)

Papa, R. J.; Lennon, J. F.; Taylor, R. L.

1980-09-01

This report presents two aspects of a program designed to calculate electromagnetic scattering from rough terrain: (1) the use of statistical estimation techniques to determine topographic parameters and (2) the results of a single-roughness-scale scattering calculation based on those parameters, including comparison with experimental data. In the statistical part of the present calculation, digitized topographic maps are used to generate data bases for the required scattering cells. The application of estimation theory to the data leads to the specification of statistical parameters for each cell. The estimated parameters are then used in a hypothesis test to decide on a probability density function (PDF) that represents the height distribution in the cell. Initially, the formulation uses a single observation of the multivariate data. A subsequent approach involves multiple observations of the heights on a bivariate basis, and further refinements are being considered. The electromagnetic scattering analysis, the second topic, calculates the amount of specular and diffuse multipath power reaching a monopulse receiver from a pulsed beacon positioned over a rough Earth. The program allows for spatial inhomogeneities and multiple specular reflection points. The analysis of shadowing by the rough surface has been extended to the case where the surface heights are distributed exponentially. The calculated loss of boresight pointing accuracy attributable to diffuse multipath is then compared with the experimental results. The extent of the specular region, the use of localized height variations, and the effect of the azimuthal variation in power pattern are all assessed.

Ab initio R-matrix calculations of e+-molecule scattering

NASA Technical Reports Server (NTRS)

Danby, Grahame; Tennyson, Jonathan

1990-01-01

The adaptation of the molecular R-matrix method, originally developed for electron-molecule collision studies, to positron scattering is discussed. Ab initio R-matrix calculations are presented for collisions of low energy positrons with a number of diatomic systems including H2, HF and N2. Differential elastic cross sections for positron-H2 show a minimum at about 45 deg for collision energies between 0.3 and 0.5 Ryd. The calculations predict a bound state of positronHF. Calculations on inelastic processes in N2 and O2 are also discussed.

Quantitative comparison of self-healing ability between Bessel–Gaussian beam and Airy beam

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

Wen, Wei; Chu, Xiuxiang, E-mail: xiuxiangchu@yahoo.com

The self-healing ability during propagation process is one of the most important properties of non-diffracting beams. This ability has crucial advantages to light sheet-based microscopy to reduce scattering artefacts, increase the quality of the image and enhance the resolution of microscopy. Based on similarity between two infinite-dimensional complex vectors in Hilbert space, the ability to a Bessel–Gaussian beam and an Airy beam have been studied and compared. Comparing the evolution of the similarity of Bessel–Gaussian beam with Airy beam under the same conditions, we find that Bessel–Gaussian beam has stronger self-healing ability and is more stable than that of Airymore » beam. To confirm this result, the intensity profiles of Bessel–Gaussian beam and Airy beam with different similarities are numerically calculated and compared.« less

Experimental measurements with Monte Carlo corrections and theoretical calculations of neutron inelastic scattering cross section of 115In

NASA Astrophysics Data System (ADS)

Wang, Chao; Xiao, Jun; Luo, Xiaobing

2016-10-01

The neutron inelastic scattering cross section of 115In has been measured by the activation technique at neutron energies of 2.95, 3.94, and 5.24 MeV with the neutron capture cross sections of 197Au as an internal standard. The effects of multiple scattering and flux attenuation were corrected using the Monte Carlo code GEANT4. Based on the experimental values, the 115In neutron inelastic scattering cross sections data were theoretically calculated between the 1 and 15 MeV with the TALYS software code, the theoretical results of this study are in reasonable agreement with the available experimental results.

A scattering model for rain depolarization

NASA Technical Reports Server (NTRS)

Wiley, P. H.; Stutzman, W. L.; Bostian, C. W.

1973-01-01

A method is presented for calculating the amount of depolarization caused by precipitation for a propagation path. In the model the effects of each scatterer and their interactions are accounted for by using a series of simplifying steps. It is necessary only to know the forward scattering properties of a single scatterer. For the case of rain the results of this model for attenuation, differential phase shift, and cross polarization agree very well with the results of the only other model available, that of differential attenuation and differential phase shift. Calculations presented here show that horizontal polarization is more sensitive to depolarization than is vertical polarization for small rain drop canting angle changes. This effect increases with increasing path length.

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.

An explicit canopy BRDF model and inversion. [Bidirectional Reflectance Distribution Function

NASA Technical Reports Server (NTRS)

Liang, Shunlin; Strahler, Alan H.

1992-01-01

Based on a rigorous canopy radiative transfer equation, the multiple scattering radiance is approximated by the asymptotic theory, and the single scattering radiance calculation, which requires an numerical intergration due to considering the hotspot effect, is simplified. A new formulation is presented to obtain more exact angular dependence of the sky radiance distribution. The unscattered solar radiance and single scattering radiance are calculated exactly, and the multiple scattering is approximated by the delta two-stream atmospheric radiative transfer model. The numerical algorithms prove that the parametric canopy model is very accurate, especially when the viewing angles are smaller than 55 deg. The Powell algorithm is used to retrieve biospheric parameters from the ground measured multiangle observations.

Ambient dose equivalent and effective dose from scattered x-ray spectra in mammography for Mo/Mo, Mo/Rh and W/Rh anode/filter combinations.

PubMed

Künzel, R; Herdade, S B; Costa, P R; Terini, R A; Levenhagen, R S

2006-04-21

In this study, scattered x-ray distributions were produced by irradiating a tissue equivalent phantom under clinical mammographic conditions by using Mo/Mo, Mo/Rh and W/Rh anode/filter combinations, for 25 and 30 kV tube voltages. Energy spectra of the scattered x-rays have been measured with a Cd(0.9)Zn(0.1)Te (CZT) detector for scattering angles between 30 degrees and 165 degrees . Measurement and correction processes have been evaluated through the comparison between the values of the half-value layer (HVL) and air kerma calculated from the corrected spectra and measured with an ionization chamber in a nonclinical x-ray system with a W/Mo anode/filter combination. The shape of the corrected x-ray spectra measured in the nonclinical system was also compared with those calculated using semi-empirical models published in the literature. Scattered x-ray spectra measured in the clinical x-ray system have been characterized through the calculation of HVL and mean photon energy. Values of the air kerma, ambient dose equivalent and effective dose have been evaluated through the corrected x-ray spectra. Mean conversion coefficients relating the air kerma to the ambient dose equivalent and to the effective dose from the scattered beams for Mo/Mo, Mo/Rh and W/Rh anode/filter combinations were also evaluated. Results show that for the scattered radiation beams the ambient dose equivalent provides an overestimate of the effective dose by a factor of about 5 in the mammography energy range. These results can be used in the control of the dose limits around a clinical unit and in the calculation of more realistic protective shielding barriers in mammography.

Scattering of Lamb waves by cracks in a composite graphite fiber-reinforced epoxy plate

NASA Technical Reports Server (NTRS)

Bratton, Robert; Datta, Subhendu K.; Shah, Arvind

1990-01-01

Recent investigations of space construction techniques have explored the used of composite materials in the construction of space stations and platforms. These composites offer superior strength to weight ratio and are thermally stable. For example, a composite material being considered is laminates of graphite fibers in an epoxy matrix. The overall effective elastic constants of such a medium can be calculated from fiber and matrix properties by using an effective modulus theory as shown in Datta, el. al. The investigation of propagation and scattering of elastic waves in composite materials is necessary in order to develop an ability to characterize cracks and predict the reliability of composite structures. The objective of this investigation is the characterization of a surface breaking crack by ultrasonic techniques. In particular, the use of Lamb waves for this purpose is studied here. The Lamb waves travel through the plate, encountering a crack, and scatter. Of interest is the modeling of the scattered wave in terms of the Lamb wave modes. The direct problem of propagation and scattering of Lamb waves by a surface breaking crack has been analyzed. This would permit an experimentalist to characterize the crack by comparing the measured response to the analytical model. The plate is assumed to be infinite in the x and y directions with a constant thickness in the z direction. The top and bottom surfaces are traction free. Solving the governing wave equations and using the stress-free boundary conditions results in the dispersion equation. This equation yields the guided modes in the homogeneous plate. The theoretical model is a hybrid method that combines analytical and finite elements techniques to describe the scattered displacements. A finite region containing the defects is discretized by finite elements. Outside the local region, the far field solution is expressed as a Fourier summation of the guided modes obtained from the dispersion equation. Continuity of tractions and displacements at the boundaries of the two regions provides the necessary equations to determine the expansion coefficients and the nodal displacements. In the hybrid method used here these defects can be of arbitrary shapes as well as inclusions of different materials.

TH-A-18C-04: Ultrafast Cone-Beam CT Scatter Correction with GPU-Based Monte Carlo Simulation

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

Xu, Y; Southern Medical University, Guangzhou; Bai, T

2014-06-15

Purpose: Scatter artifacts severely degrade image quality of cone-beam CT (CBCT). We present an ultrafast scatter correction framework by using GPU-based Monte Carlo (MC) simulation and prior patient CT image, aiming at automatically finish the whole process including both scatter correction and reconstructions within 30 seconds. Methods: The method consists of six steps: 1) FDK reconstruction using raw projection data; 2) Rigid Registration of planning CT to the FDK results; 3) MC scatter calculation at sparse view angles using the planning CT; 4) Interpolation of the calculated scatter signals to other angles; 5) Removal of scatter from the raw projections;more » 6) FDK reconstruction using the scatter-corrected projections. In addition to using GPU to accelerate MC photon simulations, we also use a small number of photons and a down-sampled CT image in simulation to further reduce computation time. A novel denoising algorithm is used to eliminate MC scatter noise caused by low photon numbers. The method is validated on head-and-neck cases with simulated and clinical data. Results: We have studied impacts of photo histories, volume down sampling factors on the accuracy of scatter estimation. The Fourier analysis was conducted to show that scatter images calculated at 31 angles are sufficient to restore those at all angles with <0.1% error. For the simulated case with a resolution of 512×512×100, we simulated 10M photons per angle. The total computation time is 23.77 seconds on a Nvidia GTX Titan GPU. The scatter-induced shading/cupping artifacts are substantially reduced, and the average HU error of a region-of-interest is reduced from 75.9 to 19.0 HU. Similar results were found for a real patient case. Conclusion: A practical ultrafast MC-based CBCT scatter correction scheme is developed. The whole process of scatter correction and reconstruction is accomplished within 30 seconds. This study is supported in part by NIH (1R01CA154747-01), The Core Technology Research in Strategic Emerging Industry, Guangdong, China (2011A081402003)« less

Scattering of 30 MeV He3 from Re185

NASA Astrophysics Data System (ADS)

Garrett, P. E.; Phillips, A. A.; Demand, G. A.; Finlay, P.; Green, K. L.; Leach, K. G.; Schumaker, M. A.; Svensson, C. E.; Wong, J.; Hertenberger, R.; Wirth, H.-F.; Faestermann, T.; Krücken, R.; Burke, D. G.; Bettermann, L.; Braun, N.

2009-01-01

The scattering of 30 MeV He3 from a Re185 target has been investigated. The measured elastic scattering is in disagreement with calculations using common optical model parameter sets found in the literature. A new optical model parameter set has been determined that reproduces the data for both the elastic and the inelastic scattering channels.

Light enpolarization by disordered media under partial polarized illumination: the role of cross-scattering coefficients.

PubMed

Zerrad, M; Soriano, G; Ghabbach, A; Amra, C

2013-02-11

We show how disordered media allow to increase the local degree of polarization (DOP) of an arbitrary (partial) polarized incident beam. The role of cross-scattering coefficients is emphasized, together with the probability density functions (PDF) of the scattering DOP. The average DOP of scattering is calculated versus the incident illumination DOP.

Assessing the contributions of surface waves and complex rays to far-field Mie scattering by use of the Debye series

NASA Technical Reports Server (NTRS)

Hovenac, Edward A.; Lock, James A.

1991-01-01

The contributions of complex rays and the secondary radiation shed by surface waves to scattering by a dielectric sphere are calculated in the context of the Debye series expansion of the Mie scattering amplitudes. Also, the contributions of geometrical rays are reviewed and compared with the Debye series. Interference effects between surface waves, complex waves, and geometrical waves are calculated, and the possibility of observing these interference effects is discussed. Experimental data supporting the observation of a surface wave-geometrical pattern is presented.

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

NASA Astrophysics Data System (ADS)

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

2010-11-01

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

Electron scattering by highly polar molecules. II - LiF

NASA Technical Reports Server (NTRS)

Vuskovic, L.; Srivastavas, S. K.; Trajmar, S.

1978-01-01

The crossed electron-beam - molecular-beam scattering technique has been used to measure relative values of differential 'elastic' scattering cross sections at electron impact energies of 5.4 and 20 eV for the angular range from 20 to 130 deg. The absolute values of these cross sections have been obtained by normalization to the classical perturbation theory of Dickinson (1977) at a scattering angle of 40 deg. These differential cross sections have then been used to calculate the integral and momentum-transfer cross sections. An energy-loss spectrum at 100 eV electron impact energy and 15 deg scattering angle has also been obtained. Two weak features at the energy losses of 6.74 and 8.82 eV appear. Their energy positions are compared with the recent calculations of Kahn et al. (1974).

Relativistic corrections to the multiple scattering effect on the Sunyaev-Zel'dovich effect in the isotropic approximation

NASA Astrophysics Data System (ADS)

Itoh, Naoki; Kawana, Youhei; Nozawa, Satoshi; Kohyama, Yasuharu

2001-10-01

We extend the formalism for the calculation of the relativistic corrections to the Sunyaev-Zel'dovich effect for clusters of galaxies and include the multiple scattering effects in the isotropic approximation. We present the results of the calculations by the Fokker-Planck expansion method as well as by the direct numerical integration of the collision term of the Boltzmann equation. The multiple scattering contribution is found to be very small compared with the single scattering contribution. For high-temperature galaxy clusters of kBTe~15keV, the ratio of both the contributions is -0.2 per cent in the Wien region. In the Rayleigh-Jeans region the ratio is -0.03 per cent. Therefore the multiple scattering contribution is safely neglected for the observed galaxy clusters.

Correlation transfer and diffusion of ultrasound-modulated multiply scattered light.

PubMed

Sakadzić, Sava; Wang, Lihong V

2006-04-28

We develop a temporal correlation transfer equation (CTE) and a temporal correlation diffusion equation (CDE) for ultrasound-modulated multiply scattered light. These equations can be applied to an optically scattering medium with embedded optically scattering and absorbing objects to calculate the power spectrum of light modulated by a nonuniform ultrasound field. We present an analytical solution based on the CDE and Monte Carlo simulation results for light modulated by a cylinder of ultrasound in an optically scattering slab. We further validate with experimental measurements the numerical calculations for an actual ultrasound field. The CTE and CDE are valid for moderate ultrasound pressures and on a length scale comparable with the optical transport mean-free path. These equations should be applicable to a wide spectrum of conditions for ultrasound-modulated optical tomography of soft biological tissues.

Calculation of the Full Scattering Amplitude without Partial Wave Decomposition II

NASA Technical Reports Server (NTRS)

Shertzer, J.; Temkin, A.

2003-01-01

As is well known, the full scattering amplitude can be expressed as an integral involving the complete scattering wave function. We have shown that the integral can be simplified and used in a practical way. Initial application to electron-hydrogen scattering without exchange was highly successful. The Schrodinger equation (SE) can be reduced to a 2d partial differential equation (pde), and was solved using the finite element method. We have now included exchange by solving the resultant SE, in the static exchange approximation. The resultant equation can be reduced to a pair of coupled pde's, to which the finite element method can still be applied. The resultant scattering amplitudes, both singlet and triplet, as a function of angle can be calculated for various energies. The results are in excellent agreement with converged partial wave results.

Rotationally and vibrationally inelastic scattering in the rotational IOS approximation. Ultrasimple calculation of total (differential, integral, and transport) cross sections for nonspherical molecules

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

Parker, G.A.; Pack, R.T

1978-02-15

A simple, direct derivation of the rotational infinite order sudden (IOS) approximation in molecular scattering theory is given. Connections between simple scattering amplitude formulas, choice of average partial wave parameter, and magnetic transitions are reviewed. Simple procedures for calculating cross sections for specific transitions are discussed and many older model formulas are given clear derivations. Total (summed over rotation) differential, integral, and transport cross sections, useful in the analysis of many experiments involving nonspherical molecules, are shown to be exceedingly simple: They are just averages over the potential angle of cross sections calculated using simple structureless spherical particle formulas andmore » programs. In the case of vibrationally inelastic scattering, the IOSA, without further approximation, provides a well-defined way to get fully three dimensional cross sections from calculations no more difficult than collinear calculations. Integral, differential, viscosity, and diffusion cross sections for He-CO/sub 2/ obtained from the IOSA and a realistic intermolecular potential are calculated as an example and compared with experiment. Agreement is good for the complete potential but poor when only its spherical part is used, so that one should never attempt to treat this system with a spherical model. The simplicity and accuracy of the IOSA make it a viable method for routine analysis of experiments involving collisions of nonspherical molecules.« less

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.

Numerical Solution of Light Scattered from and Transmitted through a Rough Dielectric Surface with Applications to Periodic Roughness and Isolated Structures

NASA Technical Reports Server (NTRS)

Sun, Wenbo; Videnn, Gorden; Lin, Bing; Hu, Yongxiang

2007-01-01

Light scattering and transmission by rough surfaces are of considerable interest in a variety of applications including remote sensing and characterization of surfaces. In this work, the finite-difference time domain technique is applied to calculate the scattered and transmitted electromagnetic fields of an infinite periodic rough surface. The elements of Mueller matrix for scattered light are calculated by an integral of the near fields over a significant number of periods of the surface. The normalized Mueller matrix elements of the scattered light and the spatial distribution of the transmitted flux for a monolayer of micron-sized dielectric spheres on a silicon substrate are presented. The numerical results show that the nonzero Mueller matrix elements of the system of the monolayer of dielectric spheres on a silicon substrate have specific maxima at some scattering angles. These maxima may be used in characterization of the feature of the system. For light transmitted through the monolayer of spheres, our results show that the transmitted energy focuses around the ray passing through centers of the spheres. At other locations, the transmitted flux is very small. The technique also may be used to calculate the perturbance of the electromagnetic field due to the presence of an isolated structure on the substrate.

Energetic stabilities of thiolated pyrimidines on gold nanoparticles investigated by Raman spectroscopy and density functional theory calculations.

PubMed

Ganbold, Erdene-Ochir; Yoon, Jinha; Cho, Kwang-Hwi; Joo, Sang-Woo

2015-01-01

The adsorption structures of 2-thiocytosine (2TC) on gold surfaces were examined by means of vibrational Raman spectroscopy and quantum mechanical density functional theory calculations. The 1H-thione-amino form was calculated to be most stable among the six examined tautomers. The three plausible binding geometries of sulfur, pyrimidine nitrogen, and amino group binding modes were calculated to estimate the binding energies of the 1H-thione-amino form with six gold cluster atoms. Thiouracils including 2-thiouracil (2TU), 4-thiouracil (4TU), and 6-methyl-2-thiouracil (6M2TU) were also studied to compare their relative binding energies on gold atoms. The intracellular localization of a DNA base analog of 2TC on gold nanoparticles (AuNPs) in HeLa cells was identified by means of surface-enhanced Raman scattering. AuNPs were modified with 2TC by self-assembly. Our dark-field microscopy and z-depth-dependent confocal Raman spectroscopy indicated that 2TC-assembled AuNPs could be found inside cancer cells. On the other hand, we did not observe noticeably strong Raman peaks in the cases of thiouracils including 2TU, 4TU, and 6M2TU. This may be due to the additional amino group of 2TC, which can lead to a stronger binding of adsorbates on AuNPs. Copyright © 2015. Published by Elsevier B.V.

Hydrodynamic outcomes of planet scattering in transitional discs

NASA Astrophysics Data System (ADS)

Moeckel, Nickolas; Armitage, Philip J.

2012-01-01

A significant fraction of unstable multiple planet systems are likely to scatter during the transitional disc phase as gas damping becomes ineffectual. Using a large ensemble of FARGO hydrodynamic simulations and MERCURY N-body integrations, we directly follow the dynamics of planet-disc and planet-planet interactions through the clearing phase and through 50 Myr of planetary system evolution. Disc clearing is assumed to occur as a result of X-ray-driven photoevaporation. We find that the hydrodynamic evolution of individual scattering systems is complex, and can involve phases in which massive planets orbit within eccentric gaps, or accrete directly from the disc without a gap. Comparing the results to a reference gas-free model, we find that the N-body dynamics and hydrodynamics of scattering into one- and two-planet final states are almost identical. The eccentricity distributions in these channels are almost unaltered by the presence of gas. The hydrodynamic simulations, however, also form a population of low-eccentricity three-planet systems in long-term stable configurations, which are not found in N-body runs. The admixture of these systems results in modestly lower eccentricities in hydrodynamic as opposed to gas-free simulations. The precise incidence of these three-planet systems is likely a function of the initial conditions; different planet set-ups (number or spacing) may change the quantitative character of this result. We analyse the properties of surviving multiple planet systems, and show that only a small fraction (a few per cent) enter mean motion resonances after scattering, while a larger fraction form stable resonant chains and avoid scattering entirely. Our results remain consistent with the hypothesis that exoplanet eccentricity results from scattering, though the detailed agreement between observations and gas-free simulation results is likely coincidental. We discuss the prospects for further tests of scattering models by observing planets or non-axisymmetric gas structure in transitional discs.

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.

Elastic electron scattering by ethyl vinyl ether

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

Khakoo, M. A.; Hong, L.; Kim, B.

2010-02-15

We report measured and calculated results for elastic scattering of low-energy electrons by ethyl vinyl ether (ethoxyethene), a prototype system for studying indirect dissociative attachment processes that may play a role in DNA damage. The integral cross section displays the expected {pi}{sup *} shape resonance. The agreement between the calculated and measured cross sections is generally good.

TU-H-CAMPUS-IeP1-05: A Framework for the Analytic Calculation of Patient-Specific Dose Distribution Due to CBCT Scan for IGRT

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

Youn, H; Jeon, H; Nam, J

Purpose: To investigate the feasibility of an analytic framework to estimate patients’ absorbed dose distribution owing to daily cone-beam CT scan for image-guided radiation treatment. Methods: To compute total absorbed dose distribution, we separated the framework into primary and scattered dose calculations. Using the source parameters such as voltage, current, and bowtie filtration, for the primary dose calculation, we simulated the forward projection from the source to each voxel of an imaging object including some inhomogeneous inserts. Then we calculated the primary absorbed dose at each voxel based on the absorption probability deduced from the HU values and Beer’s law.more » In sequence, all voxels constructing the phantom were regarded as secondary sources to radiate scattered photons for scattered dose calculation. Details of forward projection were identical to that of the previous step. The secondary source intensities were given by using scatter-to- primary ratios provided by NIST. In addition, we compared the analytically calculated dose distribution with their Monte Carlo simulation results. Results: The suggested framework for absorbed dose estimation successfully provided the primary and secondary dose distributions of the phantom. Moreover, our analytic dose calculations and Monte Carlo calculations were well agreed each other even near the inhomogeneous inserts. Conclusion: This work indicated that our framework can be an effective monitor to estimate a patient’s exposure owing to cone-beam CT scan for image-guided radiation treatment. Therefore, we expected that the patient’s over-exposure during IGRT might be prevented by our framework.« less

Sub-pixel accuracy thickness calculation of poultry fillets from scattered laser profiles

NASA Astrophysics Data System (ADS)

Jing, Hansong; Chen, Xin; Tao, Yang; Zhu, Bin; Jin, Fenghua

2005-11-01

A laser range imaging system based on the triangulation method was designed and implemented for online high-resolution thickness calculation of poultry fillets. A laser pattern was projected onto the surface of the chicken fillet for calculation of the thickness of the meat. Because chicken fillets are relatively loosely-structured material, a laser light easily penetrates the meat, and scattering occurs both at and under the surface. When laser light is scattered under the surface it is reflected back and further blurs the laser line sharpness. To accurately calculate the thickness of the object, the light transportation has to be considered. In the system, the Bidirectional Reflectance Distribution Function (BSSRDF) was used to model the light transportation and the light pattern reflected into the cameras. BSSRDF gives the reflectance of a target as a function of illumination geometry and viewing geometry. Based on this function, an empirical method has been developed and it has been proven that this method can be used to accurately calculate the thickness of the object from a scattered laser profile. The laser range system is designed as a sub-system that complements the X-ray bone inspection system for non-invasive detection of hazardous materials in boneless poultry meat with irregular thickness.

Simple systematization of vibrational excitation cross-section calculations for resonant electron-molecule scattering in the boomerang and impulse models.

PubMed

Sarma, Manabendra; Adhikari, S; Mishra, Manoj K

2007-01-28

Vibrational excitation (nu(f)<--nu(i)) cross-sections sigma(nu(f)<--nu(i) )(E) in resonant e-N(2) and e-H(2) scattering are calculated from transition matrix elements T(nu(f),nu(i) )(E) obtained using Fourier transform of the cross correlation function , where psi(nu(i))(R,t) approximately =e(-iH(A(2))-(R)t/h phi(nu(i))(R) with time evolution under the influence of the resonance anionic Hamiltonian H(A(2) (-))(A(2) (-)=N(2)(-)/H(2) (-)) implemented using Lanczos and fast Fourier transforms. The target (A(2)) vibrational eigenfunctions phi(nu(i))(R) and phi(nu(f))(R) are calculated using Fourier grid Hamiltonian method applied to potential energy (PE) curves of the neutral target. Application of this simple systematization to calculate vibrational structure in e-N(2) and e-H(2) scattering cross-sections provides mechanistic insights into features underlying presence/absence of structure in e-N(2) and e-H(2) scattering cross-sections. The results obtained with approximate PE curves are in reasonable agreement with experimental/calculated cross-section profiles, and cross correlation functions provide a simple demarcation between the boomerang and impulse models.

RAMAN SCATTERED He II {lambda}4332 IN THE SYMBIOTIC STAR V1016 CYGNI

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

Lee, Hee-Won

Raman scattering of He II line photons with atomic hydrogen is important in studying the mass loss processes in many symbiotic stars and a number of young planetary nebulae. We calculate the scattering cross sections and branching ratios associated with the Raman scattered He II {lambda}4332 feature formed through inelastic scattering of He II {lambda}949 with a hydrogen atom. At the line center of He II {lambda}949, the total scattering cross section is computed to be {sigma}{sub tot} = 2.5 Multiplication-Sign 10{sup -22} cm{sup 2}, and the branching ratio into the level 2s is 0.12. We also present a high-resolutionmore » spectrum of the symbiotic star V1016 Cygni obtained with the 1.8 m telescope at Mt. Bohyun to investigate the Raman scattering origin of the broad feature blueward of He II {lambda}4338. Based on the atomic calculation, we perform Monte Carlo calculations for the line formation. The scattering region is assumed to be a part of a uniform spherical shell that subtends a solid angle {Delta}{Omega} = {pi} steradian with a neutral column density N{sub HI} = 1.0 x 10{sup 21} cm{sup -2}. By adding a far-UV continuum around He II {lambda}949 normalized by the equivalent width of He II {lambda}949 to be 2.3 Angstrom-Sign , we obtain a good fit for both the Raman scattered He II {lambda}4332 and the broad wings around H{gamma}. Our analysis of the Raman feature blueward of H{gamma} in V1016 Cyg is consistent with the previous study of the Raman features blueward of H{alpha} and H{beta} by Jung and Lee.« less

Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111).

PubMed

Kroes, Geert-Jan; Pavanello, Michele; Blanco-Rey, María; Alducin, Maite; Auerbach, Daniel J

2014-08-07

Energy loss from the translational motion of an atom or molecule impinging on a metal surface to the surface may determine whether the incident particle can trap on the surface, and whether it has enough energy left to react with another molecule present at the surface. Although this is relevant to heterogeneous catalysis, the relative extent to which energy loss of hot atoms takes place to phonons or electron-hole pair (ehp) excitation, and its dependence on the system's parameters, remain largely unknown. We address these questions for two systems that present an extreme case of the mass ratio of the incident atom to the surface atom, i.e., H + Cu(111) and H + Au(111), by presenting adiabatic ab initio molecular dynamics (AIMD) predictions of the energy loss and angular distributions for an incidence energy of 5 eV. The results are compared to the results of AIMDEFp calculations modeling energy loss to ehp excitation using an electronic friction ("EF") model applied to the AIMD trajectories, so that the energy loss to the electrons is calculated "post" ("p") the computation of the AIMD trajectory. The AIMD calculations predict average energy losses of 0.38 eV for Cu(111) and 0.13-0.14 eV for Au(111) for H-atoms that scatter from these surfaces without penetrating the surface. These energies closely correspond with energy losses predicted with Baule models, which is suggestive of structure scattering. The predicted adiabatic integral energy loss spectra (integrated over all final scattering angles) all display a lowest energy peak at an energy corresponding to approximately 80% of the average adiabatic energy loss for non-penetrative scattering. In the adiabatic limit, this suggests a way of determining the approximate average energy loss of non-penetratively scattered H-atoms from the integral energy loss spectrum of all scattered H-atoms. The AIMDEFp calculations predict that in each case the lowest energy loss peak should show additional energy loss in the range 0.2-0.3 eV due to ehp excitation, which should be possible to observe. The average non-adiabatic energy losses for non-penetrative scattering exceed the adiabatic losses to phonons by 0.9-1.0 eV. This suggests that for scattering of hyperthermal H-atoms from coinage metals the dominant energy dissipation channel should be to ehp excitation. These predictions can be tested by experiments that combine techniques for generating H-atom beams that are well resolved in translational energy and for detecting the scattered atoms with high energy-resolution.

Conformational stability, vibrational spectra, molecular structure, NBO and HOMO-LUMO analysis of 5-nitro-2-furaldehyde oxime based on DFT calculations.

PubMed

Arivazhagan, M; Jeyavijayan, S; Geethapriya, J

2013-03-01

The FTIR and FT-Raman spectra of 5-nitro-2-furaldehyde oxime (NFAO) have been recorded in the regions 4000-400 cm(-1) and 3500-50 cm(-1), respectively. The total energies of different conformations have been obtained from DFT (B3LYP) with 6-311++G(d,p) basis set calculations. The computational results identify the most stable conformer of NFAO as the C1 form. Utilizing the observed FTIR and FT-Raman data, a complete vibrational assignment and analysis of the fundamental modes of the compound were carried out. The optimum molecular geometry, harmonic vibrational frequencies, infrared intensities and Raman scattering activities, were calculated by density functional theory (DFT/B3LYP) method with 6-31+G(d,p) and 6-311++G(d,p) basis sets. The difference between the observed and scaled wavenumber values of most of the fundamentals is very small. A detailed interpretation of the infrared and Raman spectra of NFAO is also reported based on total energy distribution (TED). Stability of the molecule arising from hyperconjugative interactions, charge delocalization have been analyzed using natural bond orbital (NBO) analysis. Besides, molecular electrostatic potential (MEP), HOMO and LUMO analysis, and several thermodynamic properties were performed by the DFT method. Mulliken's net charges have been calculated and compared with the natural atomic charges. Ultraviolet-visible spectrum of the title molecule has also been calculated using TD-DFT method. Copyright © 2012 Elsevier B.V. All rights reserved.

The influence of ozone and aerosols on the brightness and color of the twilight sky

NASA Technical Reports Server (NTRS)

Adams, C. N.; Plass, G. N.; Kattawar, G. W.

1974-01-01

The radiance and color of the twilight sky are calculated for single scattered radiation with the use of spherically symmetric models of the earth's atmosphere. Spherical geometry is used throughout the calculations with no plane-parallel approximations. Refraction effects are taken into account through fine subdivision of the atmosphere into spherical shells of fixed index of refraction. Snell's law of refraction is used to calculate a new direction of travel each time that a photon traverses the interface between layers. Five different models of the atmosphere were used: a pure molecular scattering atmosphere; molecular atmosphere plus ozone absorption; and three models with aerosol concentrations of one, three, and ten times normal together with molecular scattering and ozone absorption. The results of the calculations are shown for various observation positions and local viewing angles in the solar plane for wavelengths in the range from 0.40 to 0.75 micron.

The influence of ozone and aerosols on the brightness and color of the twilight zone

NASA Technical Reports Server (NTRS)

Adams, C. N.; Plass, G. N.; Kattawar, G. W.

1973-01-01

The radiance and color of the twilight sky are calculated for single scattered radiation with the use of spherically symmetric models of the earth's atmosphere. Spherical geometry is used throughout the calculations with no plane parallel approximations. Refraction effects are taken into account through fine subdivision of the atmosphere into spherical shells of fixed index of refraction. Shell's law of refraction is used to calculate a direction of travel each time that a photon traverses the interface between layers. Five different models of the atmosphere were used: a pure molecular scattering atmosphere; molecular atmosphere plus ozone absorption; and three models with aerosol concentrations of 1, 3, and 10 times normal together with molecular scattering and ozone absorption. The results of the calculations are shown for various observation positions and local viewing angles in the solar plane for wavelengths in the range of 0.40 microns to 0.75 microns.

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

NASA Technical Reports Server (NTRS)

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

1987-01-01

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

An investigation of the forward scattering theorem

NASA Technical Reports Server (NTRS)

Karam, M. A.; Fung, A. K.

1987-01-01

The calculation of an EM wave's extinction loss during propagation within an inhomogeneous medium, as in active and passive remote sensing modeling, can be undertaken either through the summation of the scattering and absorption losses or through the use of the forward scattering theorem. Attention is presently given to the similarities and differences of these two approaches as a function of dielectric properties of a spherical scatterer and the incident frequency. Scattering loss is obtainable by integrating the magnitude-squared of the scattered field over a spherical surface surrounding the scatterer; the scattered field and the field within the scatterer are computed according to Mie theory.

Geometrical-optics code for computing the optical properties of large dielectric spheres.

PubMed

Zhou, Xiaobing; Li, Shusun; Stamnes, Knut

2003-07-20

Absorption of electromagnetic radiation by absorptive dielectric spheres such as snow grains in the near-infrared part of the solar spectrum cannot be neglected when radiative properties of snow are computed. Thus a new, to our knowledge, geometrical-optics code is developed to compute scattering and absorption cross sections of large dielectric particles of arbitrary complex refractive index. The number of internal reflections and transmissions are truncated on the basis of the ratio of the irradiance incident at the nth interface to the irradiance incident at the first interface for a specific optical ray. Thus the truncation number is a function of the angle of incidence. Phase functions for both near- and far-field absorption and scattering of electromagnetic radiation are calculated directly at any desired scattering angle by using a hybrid algorithm based on the bisection and Newton-Raphson methods. With these methods a large sphere's absorption and scattering properties of light can be calculated for any wavelength from the ultraviolet to the microwave regions. Assuming that large snow meltclusters (1-cm order), observed ubiquitously in the snow cover during summer, can be characterized as spheres, one may compute absorption and scattering efficiencies and the scattering phase function on the basis of this geometrical-optics method. A geometrical-optics method for sphere (GOMsphere) code is developed and tested against Wiscombe's Mie scattering code (MIE0) and a Monte Carlo code for a range of size parameters. GOMsphere can be combined with MIE0 to calculate the single-scattering properties of dielectric spheres of any size.

Depth resolved grazing incidence neutron scattering experiments from semi-infinite interfaces: a statistical analysis of the scattering contributions

NASA Astrophysics Data System (ADS)

Adlmann, Franz A.; Herbel, Jörg; Korolkovas, Airidas; Bliersbach, Andreas; Toperverg, Boris; Van Herck, Walter; Pálsson, Gunnar K.; Kitchen, Brian; Wolff, Max

2018-04-01

Grazing incidence neutron scattering experiments offer surface sensitivity by reflecting from an interface at momentum transfers close to total external reflection. Under these conditions the penetration depth is strongly non-linear and may change by many orders of magnitude. This fact imposes severe challenges for depth resolved experiments, since the brilliance of neutron beams is relatively low in comparison to e.g. synchrotron radiation. In this article we use probability density functions to calculate the contribution of scattering at different distances from an interface to the intensities registered on the detector. Our method has the particular advantage that the depth sensitivity is directly extracted from the scattering pattern itself. Hence for perfectly known samples exact resolution functions can be calculated and visa versa. We show that any tails in the resolution function, e.g. Gaussian shaped, hinders depth resolved experiments. More importantly we provide means for a descriptive statistical analysis of detector images with respect to the scattering contributions and show that even for perfect resolution near surface scattering is hardly accessible.

Nd:YAP laser pulse compression by three-stage transient stimulated Brillouin and Raman scattering

NASA Astrophysics Data System (ADS)

Kubeček, V.; Hamal, K.; Procházka, I.; Buzelis, R.; Girdauskas, V.; Dementiev, A.

1991-08-01

There is a continuous effort to generate stable, powerful picosecond laser pulses for application in spectroscopy, nonlinear optics and parametric light generation, as well. One of the possible methods is the compression of longer nanosecond laser pulses by stimulated Brillouin and stimulated Raman scattering. The advantages of such a technique, in comparison to the used mode locked picosecond lasers, are as follows: the absence of the active and/or passive mode lockers used to generate a train of picosecond pulses, and the absence of a fast electrooptical shutter used to select a single pulse from a train of pulses. The application of stimulated Brillouin and stimulated Raman scattering permits to generate picosecond pulses in the wavelength regions not covered by mode locked lasers. Of special interest is the wavelength region of 0·8 μm, which may be amplified by the attractive Titanium Sapphire lasers. In this paper we are summarizing our results in theoretical modelling and in real generation of picosecond pulses by means of cascaded stimulated Brillouin and Raman scattering. The models of scattering processes have been investigated. The stable generation of 5, 7, 3 picosecond pulses have been optimized for the wavelengths of 0·8, 0·64 and 0·54 μm, respectively. In all these cases, the pulses exhibited the far field pattern close to Gaussian, with the pulse energy ranging from 0·2 to 1 mJ.

A new numerically stable implementation of the T-matrix method for electromagnetic scattering by spheroidal particles

NASA Astrophysics Data System (ADS)

Somerville, W. R. C.; Auguié, B.; Le Ru, E. C.

2013-07-01

We propose, describe, and demonstrate a new numerically stable implementation of the extended boundary-condition method (EBCM) to compute the T-matrix for electromagnetic scattering by spheroidal particles. Our approach relies on the fact that for many of the EBCM integrals in the special case of spheroids, a leading part of the integrand integrates exactly to zero, which causes catastrophic loss of precision in numerical computations. This feature was in fact first pointed out by Waterman in the context of acoustic scattering and electromagnetic scattering by infinite cylinders. We have recently studied it in detail in the case of electromagnetic scattering by particles. Based on this study, the principle of our new implementation is therefore to compute all the integrands without the problematic part to avoid the primary cause of loss of precision. Particular attention is also given to choosing the algorithms that minimise loss of precision in every step of the method, without compromising on speed. We show that the resulting implementation can efficiently compute in double precision arithmetic the T-matrix and therefore optical properties of spheroidal particles to a high precision, often down to a remarkable accuracy (10-10 relative error), over a wide range of parameters that are typically considered problematic. We discuss examples such as high-aspect ratio metallic nanorods and large size parameter (≈35) dielectric particles, which had been previously modelled only using quadruple-precision arithmetic codes.

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.

Nonlinear scattering of ultrashort laser pulses on two-level system

NASA Astrophysics Data System (ADS)

Astapenko, Valery A.; Sakhno, Sergey V.

2015-05-01

The presentation is devoted to the theoretical investigation of nonlinear scattering of ultrashort electromagnetic pulses (USP) on two-level quantum system. We consider the scattering of several types of USP, namely, so called corrected Gaussian pulse (CGP) and cosine wavelet pulse. Such pulses have no constant component in their spectrum in contrast with traditional Gaussian pulse. It should be noted that the presence of constant component in the limit of ultrashort pulse durations leads to unphysical results. The main purpose of the present work is the investigation of the change of pulse temporal shape after scattering as a function of initial phase at different distances from the target. Numerical calculations are based on the solution of Bloch equations and expression for scattering field strength via dipole moment of two-level system exposed by the action of incident USP. In our calculation we also account for the influence of refracting index of the air on electric field strength in the pulse after scattering.

The spectral energy distribution of the scattered light from dark clouds

NASA Technical Reports Server (NTRS)

Mattila, Kalevi; Schnur, G. F. O.

1989-01-01

A dark cloud is exposed to the ambient radiation field of integrated starlight in the Galaxy. Scattering of starlight by the dust particles gives rise to a diffuse surface brightness of the dark nebula. The intensity and the spectrum of this diffuse radiation can be used to investigate, e.g., the scattering parameters of the dust, the optical thickness of the cloud, and as a probe of the ambient radiation field at the location of the cloud. An understanding of the scattering process is also a prerequisite for the isolation of broad spectral features due to fluorescence or to any other non-scattering origin of the diffuse light. Model calculations are presented for multiple scattering in a spherical cloud. These calculations show that the different spectral shapes of the observed diffuse light can be reproduced with standard dust parameters. The possibility to use the observed spectrum as a diagnostic tool for analyzing the thickness of the cloud and the dust particle is discussed.

Molecular structure, vibrational spectra, NBO analysis, first hyperpolarizability, and HOMO-LUMO studies of 2-amino-4-hydroxypyrimidine by density functional method

NASA Astrophysics Data System (ADS)

Jeyavijayan, S.

2015-04-01

This study is a comparative analysis of FTIR and FT-Raman spectra of 2-amino-4-hydroxypyrimidine. The total energies of different conformations have been obtained from DFT (B3LYP) method with 6-31+G(d,p) and 6-311++G(d,p) basis sets. The barrier of planarity between the most stable and planar form is also predicted. The molecular structure, vibrational wavenumbers, infrared intensities, Raman scattering activities were calculated for the molecule using the B3LYP density functional theory (DFT) method. The computed values of frequencies are scaled using multiple scaling factors to yield good coherence with the observed values. Reliable vibrational assignments were made on the basis of total energy distribution (TED) along with scaled quantum mechanical (SQM) method. The stability of the molecule arising from hyperconjugative interactions, charge delocalization has been analyzed using natural bond orbital (NBO) analysis. Non-linear properties such as electric dipole moment (μ), polarizability (α), and hyperpolarizability (β) values of the investigated molecule have been computed using B3LYP quantum chemical calculation. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. Besides, molecular electrostatic potential (MEP), Mulliken's charges analysis, and several thermodynamic properties were performed by the DFT method.

Radiative transfer in an atmosphere-ocean system.

PubMed

Plass, G N; Kattawar, G W

1969-02-01

The radiation field for an atmosphere-ocean system is calculated by a Monte Carlo method. In the atmosphere, both Rayleigh scattering by the molecules and Mie scattering by the aerosols and water droplets, when present, as well as molecular and aerosol absorption are included in the model. Similarly, in the ocean, both Rayleigh scattering by the water molecules and Mie scattering by the hydrosols as well as absorption by the water molecules and hydrosols are considered. Separate scattering functions are calculated from the Mie theory for the water droplets in clouds, the aerosols, and the hydrosols with an appropriate and different size distribution in each case. The photon path is followed accurately in three dimensions with new scattering angles determined from the appropriate scattering function including the strong forward scattering peak. Both the reflected and refracted rays, as well as the rays that undergo total internal reflection, are followed at the ocean surface, which is assumed smooth. The ocean floor is represented by a Lambert surface. The radiance and flux are given for two wavelengths, three solar angles, shallow and deep oceans, various albedos of ocean floor, various depths in atmosphere and ocean, and with and without clouds in the atmosphere.

Four-phonon scattering significantly reduces intrinsic thermal conductivity of solids

NASA Astrophysics Data System (ADS)

Feng, Tianli; Lindsay, Lucas; Ruan, Xiulin

2017-10-01

For decades, the three-phonon scattering process has been considered to govern thermal transport in solids, while the role of higher-order four-phonon scattering has been persistently unclear and so ignored. However, recent quantitative calculations of three-phonon scattering have often shown a significant overestimation of thermal conductivity as compared to experimental values. In this Rapid Communication we show that four-phonon scattering is generally important in solids and can remedy such discrepancies. For silicon and diamond, the predicted thermal conductivity is reduced by 30% at 1000 K after including four-phonon scattering, bringing predictions in excellent agreement with measurements. For the projected ultrahigh-thermal conductivity material, zinc-blende BAs, a competitor of diamond as a heat sink material, four-phonon scattering is found to be strikingly strong as three-phonon processes have an extremely limited phase space for scattering. The four-phonon scattering reduces the predicted thermal conductivity from 2200 to 1400 W/m K at room temperature. The reduction at 1000 K is 60%. We also find that optical phonon scattering rates are largely affected, being important in applications such as phonon bottlenecks in equilibrating electronic excitations. Recognizing that four-phonon scattering is expensive to calculate, in the end we provide some guidelines on how to quickly assess the significance of four-phonon scattering, based on energy surface anharmonicity and the scattering phase space. Our work clears the decades-long fundamental question of the significance of higher-order scattering, and points out ways to improve thermoelectrics, thermal barrier coatings, nuclear materials, and radiative heat transfer.

Field-induced dielectric response saturation in $o$ -TaS 3

DOE PAGES

Ma, Yongchang; Lu, Cuimin; Wang, Xuewei; ...

2016-08-03

The temperature and electric field dependent conductivity spectra of o-TaS 3 sample with 10 μm 2 in cross section were measured. Besides the classical electric threshold E T₋Cl, we observed another novel threshold E T₋N at a larger electric field, where an S-shaped I-V relation revealed. The appearance of E T₋N may be due to the establishment of coherence among small charge-density- wave domains. Under a stable field E > E T-N, a sharp dispersion emerged below kHz. At a fixed temperature, the scattering rate of the charged condensate was extremely small and decreased with increasing field. With decreasing temperature,more » the scattering Fröhlic-mode conductivity would be consistent with the meta-stable state.« less

Proton elastic scattering from stable and unstable nuclei - Extraction of nuclear densities

NASA Astrophysics Data System (ADS)

Sakaguchi, H.; Zenihiro, J.

2017-11-01

Progress in proton elastic scattering at intermediate energies to determine nuclear density distributions is reviewed. After challenges of about 15 years to explain proton elastic scattering and associated polarization phenomena at intermediate energies, we have reached to some conclusions regarding proton elastic scattering as a means of obtaining nuclear densities. During this same period, physics of unstable nuclei has become of interest, and the density distributions of protons and neutrons play more important roles in unstable nuclei, since the differences in proton and neutron numbers and densities are expected to be significant. As such, proton elastic scattering experiments at intermediate energies using the inverse kinematic method have started to determine density distributions of unstable nuclei. In the region of unstable nuclei, we are confronted with a new problem when attempting to find proton and neutron densities separately from elastic proton scattering data, since electron scattering data for unstable nuclei are not presently available. We introduce a new means of determining proton and neutron densities separately by double-energy proton elastic scattering at intermediate energies.

On the Angular Variation of Solar Reflectance of Snow

NASA Technical Reports Server (NTRS)

Chang, A. T. C.; Choudhury, B. J.

1979-01-01

Spectral and integrated solar reflectance of nonhomogeneous snowpacks were derived assuming surface reflection of direct radiation and subsurface multiple scattering. For surface reflection, a bidirectional reflectance distribution function derived for an isotropic Gaussian faceted surface was considered and for subsurface multiple scattering, an approximate solution of the radiative transfer equation was studied. Solar radiation incident on the snowpack was decomposed into direct and atmospherically scattered radiation. Spectral attenuation coefficients of ozone, carbon dioxide, water vapor, aerosol and molecular scattering were included in the calculation of incident solar radiation. Illustrative numerical results were given for a case of North American winter atmospheric conditions. The calculated dependence of spectrally integrated directional reflectance (or albedo) on solar elevation was in qualitative agreement with available observations.

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.

Microwave scattering and emission from a half-space anisotropic random medium

NASA Astrophysics Data System (ADS)

Mudaliar, Saba; Lee, Jay Kyoon

1990-12-01

This paper is a sequel to an earlier paper (Lee and Mudaliar, 1988) where the backscattering coefficients of a half-space anisotropic random medium were obtained. Here the bistatic scattering coefficients are calculated by solving the modified radiative transfer equations under a first-order approximation. The effects of multiple scattering on the results are observed. Emissivities are calculated and compared with those obtained using the Born approximation (single scattering). Several interesting properties of the model are brought to notice using numerical examples. Finally, as an application, the theory is used to interpret the passive remote sensing data of multiyear sea ice in the microwave frequency range. A quite close agreement between theoretical prediction and the measured data is found.

Nuclear rainbow in elastic scattering of {sup 9}Be nuclei

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

Glukhov, Yu. A., E-mail: gloukhov@inbox.ru; Ogloblin, A. A.; Artemov, K. P.

2010-01-15

A systematic investigation of the elastic scattering of the {sup 9}Be nucleus, which is among themost loosely bound stable nuclei was performed.Differential cross sections for elastic {sup 9}Be + {sup 16}O scattering were measured at a c.m. energy of 47.5 MeV (beam of 132-MeV {sup 16}O nuclei). Available data at different energy values and data for neighboring nuclei were included in our analysis. As a result, the very fact of rainbow scattering was reliably established for the first time in systems involving {sup 9}Be. In addition, the analysis in question made it possible to identify Airy minima and to determinemore » unambiguously the nucleus-nucleus potential with a high probability.« less

Novel approach for calculating the charge carrier mobility and Hall factor for semiconductor materials

NASA Astrophysics Data System (ADS)

Colibaba, G. V.

2018-06-01

The additive Matthiessen's rule is the simplest and most widely used rule for the rapid experimental characterization and modeling of the charge carrier mobility. However, the error when using this rule can be higher than 40% and the contribution of the assumed additional scattering channels due to the difference between the experimental data and results calculated based on this rule can be misestimated by several times. In this study, a universal semi-additive equation is proposed for the total mobility and Hall factor, which is applicable to any quantity of scattering mechanisms, where it considers the energy dependence of the relaxation time and the error is 10-20 times lower compared with Matthiessen's rule. Calculations with accuracy of 99% are demonstrated for materials with polar-optical phonon, acoustic phonon via the piezoelectric potential, ionized, and neutral impurity scattering. The proposed method is extended to the deformation potential, dislocation, localized defect, alloy potential, and dipole scattering, for nondegenerate and partially degenerate materials.

15-digit accuracy calculations of Chandrasekhar's H-function for isotropic scattering by means of the double exponential formula

NASA Astrophysics Data System (ADS)

Kawabata, Kiyoshi

2016-12-01

This work shows that it is possible to calculate numerical values of the Chandrasekhar H-function for isotropic scattering at least with 15-digit accuracy by making use of the double exponential formula (DE-formula) of Takahashi and Mori (Publ. RIMS, Kyoto Univ. 9:721, 1974) instead of the Gauss-Legendre quadrature employed in the numerical scheme of Kawabata and Limaye (Astrophys. Space Sci. 332:365, 2011) and simultaneously taking a precautionary measure to minimize the effects due to loss of significant digits particularly in the cases of near-conservative scattering and/or errors involved in returned values of library functions supplied by compilers in use. The results of our calculations are presented for 18 selected values of single scattering albedo π0 and 22 values of an angular variable μ, the cosine of zenith angle θ specifying the direction of radiation incident on or emergent from semi-infinite media.

XAFS Debye-Waller Factors Temperature-Dependent Expressions for Fe+2-Porphyrin Complexes

NASA Astrophysics Data System (ADS)

Dimakis, Nicholas; Bunker, Grant

2007-02-01

We present an efficient and accurate method for directly calculating single and multiple scattering X-ray absorption fine structure (XAFS) thermal Debye-Waller factors for Fe+2 -porphiryn complexes. The number of multiple scattering Debye-Waller factors on metal porphyrin centers exceeds the number of available parameters that XAFS experimental data can support during fitting with simulated spectra. Using the Density Functional Theory (DFT) under the hybrid functional of X3LYP, phonon normal mode spectrum properties are used to express the mean square variation of the half-scattering path length for a Fe+2 -porphiryn complex as a function of temperature for the most important single and multiple scattering paths of the complex thus virtually eliminating them from the fitting procedure. Modeled calculations are compared with corresponding values obtained from DFT-built and optimized Fe+2 -porphyrin bis-histidine structure as well as from experimental XAFS spectra previously reported. An excellent agreement between calculated and reference Debye-Waller factors for Fe+2-porphyrins is obtained.

Accurate radiative transfer calculations for layered media.

PubMed

Selden, Adrian C

2016-07-01

Simple yet accurate results for radiative transfer in layered media with discontinuous refractive index are obtained by the method of K-integrals. These are certain weighted integrals applied to the angular intensity distribution at the refracting boundaries. The radiative intensity is expressed as the sum of the asymptotic angular intensity distribution valid in the depth of the scattering medium and a transient term valid near the boundary. Integrated boundary equations are obtained, yielding simple linear equations for the intensity coefficients, enabling the angular emission intensity and the diffuse reflectance (albedo) and transmittance of the scattering layer to be calculated without solving the radiative transfer equation directly. Examples are given of half-space, slab, interface, and double-layer calculations, and extensions to multilayer systems are indicated. The K-integral method is orders of magnitude more accurate than diffusion theory and can be applied to layered scattering media with a wide range of scattering albedos, with potential applications to biomedical and ocean optics.

Double-parton scattering effects in associated production of charm mesons and dijets at the LHC

NASA Astrophysics Data System (ADS)

Maciuła, Rafał; Szczurek, Antoni

2017-10-01

We calculate several differential distributions for the production of charm and dijets. Both single-parton scattering (SPS) and double-parton scattering (DPS) contributions are calculated in the kT-factorization approach. The Kimber-Martin-Ryskin unintegrated parton distributions are used in our calculations. Relatively low cuts on jet transverse momenta are imposed to enhance the double-parton scattering mechanism contribution. We find dominance of the DPS contribution over the SPS one. We have found regions of the phase space where the SPS contribution is negligible compared to the DPS contribution. The distribution in transverse momentum of charm quark/antiquark or charmed mesons can be used to observe transition from the dominance of DPS at low transvsverse momenta to the dominance of SPS at large transverse momenta. Very distinct azimuthal correlation patterns (for c c ¯, c -jet , jet-jet, D0-jet , D0D0 ¯ ) are predicted as a result of the competition of the SPS and DPS mechanisms.

Prediction of deviations from the Rutherford formula for low-energy Coulomb scattering of wavepackets

NASA Astrophysics Data System (ADS)

Hoffmann, Scott E.

2017-11-01

We calculate the nonrelativistic scattering of a wavepacket from a Coulomb potential and find deviations from the Rutherford formula in all cases. These generally occur only at low scattering angles, where they would be obscured by the part of the incident beam that emerges essentially unscattered. For a model experiment, the scattering of helium nuclei from a thin gold foil, we find the deviation region is magnified for low incident energies (in the keV range), so that a large shadow zone of low probability around the forward direction is expected to be measurable. From a theoretical perspective, the use of wavepackets makes partial wave analysis applicable to this infinite-range potential. It allows us to calculate the everywhere finite probability for a wavepacket to wavepacket transition and to relate this to the differential cross section. Time delays and advancements in the detection probabilities can be calculated. We investigate the optical theorem as applied to this special case.

a Proposed Benchmark Problem for Scatter Calculations in Radiographic Modelling

NASA Astrophysics Data System (ADS)

Jaenisch, G.-R.; Bellon, C.; Schumm, A.; Tabary, J.; Duvauchelle, Ph.

2009-03-01

Code Validation is a permanent concern in computer modelling, and has been addressed repeatedly in eddy current and ultrasonic modeling. A good benchmark problem is sufficiently simple to be taken into account by various codes without strong requirements on geometry representation capabilities, focuses on few or even a single aspect of the problem at hand to facilitate interpretation and to avoid that compound errors compensate themselves, yields a quantitative result and is experimentally accessible. In this paper we attempt to address code validation for one aspect of radiographic modeling, the scattered radiation prediction. Many NDT applications can not neglect scattered radiation, and the scatter calculation thus is important to faithfully simulate the inspection situation. Our benchmark problem covers the wall thickness range of 10 to 50 mm for single wall inspections, with energies ranging from 100 to 500 keV in the first stage, and up to 1 MeV with wall thicknesses up to 70 mm in the extended stage. A simple plate geometry is sufficient for this purpose, and the scatter data is compared on a photon level, without a film model, which allows for comparisons with reference codes like MCNP. We compare results of three Monte Carlo codes (McRay, Sindbad and Moderato) as well as an analytical first order scattering code (VXI), and confront them to results obtained with MCNP. The comparison with an analytical scatter model provides insights into the application domain where this kind of approach can successfully replace Monte-Carlo calculations.

Electron- and positron-molecule scattering: development of the molecular convergent close-coupling method

NASA Astrophysics Data System (ADS)

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

2017-06-01

Starting from first principles, this tutorial describes the development of the adiabatic-nuclei convergent close-coupling (CCC) method and its application to electron and (single-centre) positron scattering from diatomic molecules. We give full details of the single-centre expansion CCC method, namely the formulation of the molecular target structure; solving the momentum-space coupled-channel Lippmann-Schwinger equation; deriving adiabatic-nuclei cross sections and calculating V-matrix elements. Selected results are presented for electron and positron scattering from molecular hydrogen H2 and electron scattering from the vibrationally excited molecular hydrogen ion {{{H}}}2+ and its isotopologues (D2 +, {{{T}}}2+, HD+, HT+ and TD+). Convergence in both the close-coupling (target state) and projectile partial-wave expansions of fixed-nuclei electron- and positron-molecule scattering calculations is demonstrated over a broad energy-range and discussed in detail. In general, the CCC results are in good agreement with experiments.

Excitation of levels in Li6 by inelastic electron scattering

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

Bernheim, M.; Bishop, G. R.

1963-07-01

Inelastic scattering of electrons from metallic targets of Li 6 was studied as part of a program to establish the validity of the Born approximation calculation of the cross section. This calculation predicts the separation of the inelastic form factor into two contributions corresponding to the absorption of longitudinal and transverse virtual photons by the bombarded system. (R.E.U.)

Multiple-scattering model for inclusive proton production in heavy ion collisions

NASA Technical Reports Server (NTRS)

Cucinotta, Francis A.

1994-01-01

A formalism is developed for evaluating the momentum distribution for proton production in nuclear abrasion during heavy ion collisions using the Glauber multiple-scattering series. Several models for the one-body density matrix of nuclei are considered for performing numerical calculations. Calculations for the momentum distribution of protons in abrasion are compared with experimental data for inclusive proton production.

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

Stochastic-analytic approach to the calculation of multiply scattered lidar returns

NASA Astrophysics Data System (ADS)

Gillespie, D. T.

1985-08-01

The problem of calculating the nth-order backscattered power of a laser firing short pulses at time zero into an homogeneous cloud with specified scattering and absorption parameters, is discussed. In the problem, backscattered power is measured at any time less than zero by a small receiver colocated with the laser and fitted with a forward looking conical baffle. Theoretical calculations are made on the premise that the laser pulse is composed of propagating photons which are scattered and absorbed by the cloud particles in a probabilistic manner. The effect of polarization was not taken into account in the calculations. An exact formula is derived for backscattered power, based on direct physical arguments together with a rigorous analysis of random variables. It is shown that, for values of n less than or equal to 2, the obtained formula is a well-behaved (3n-4) dimensionless integral. The computational feasibility of the integral formula is demonstrated for a model cloud of isotropically scattering particles. An analytical formula is obtained for a value of n = 2, and a Monte Carlo program was used to obtain numerical results for values of n = 3, . . ., 6.

A Phosphorus Phthalocyanine Formulation with Intense Absorbance at 1000 nm for Deep Optical Imaging

PubMed Central

Zhou, Yang; Wang, Depeng; Zhang, Yumiao; Chitgupi, Upendra; Geng, Jumin; Wang, Yuehang; Zhang, Yuzhen; Cook, Timothy R.; Xia, Jun; Lovell, Jonathan F.

2016-01-01

Although photoacoustic computed tomography (PACT) operates with high spatial resolution in biological tissues deeper than other optical modalities, light scattering is a limiting factor. The use of longer near infrared wavelengths reduces scattering. Recently, the rational design of a stable phosphorus phthalocyanine (P-Pc) with a long wavelength absorption band beyond 1000 nm has been reported. Here, we show that when dissolved in liquid surfactants, P-Pc can give rise to formulations with absorbance of greater than 1000 (calculated for a 1 cm path length) at wavelengths beyond 1000 nm. Using the broadly accessible Nd:YAG pulse laser emission output of 1064 nm, P-Pc could be imaged through 11.6 cm of chicken breast with PACT. P-Pc accumulated passively in tumors following intravenous injection in mice as observed by PACT. Following oral administration, P-Pc passed through the intestine harmlessly, and PACT could be used to non-invasively observe intestine function. When the contrast agent placed under the arm of a healthy adult human, a PACT transducer on the top of the arm could readily detect P-Pc through the entire 5 cm limb. Thus, the approach of using contrast media with extreme absorption at 1064 nm readily enables high quality optical imaging in vitro and in vivo in humans at exceptional depths. PMID:27022416

Interactions between the antifungal drug myclobutanil and gold and silver nanoparticles in Penicillium digitatum investigated by surface-enhanced Raman scattering.

PubMed

Cho, Eun-Min; Singh, Dheeraj K; Ganbold, Erdene-Ochir; Dembereldorj, Uuriintuya; Jang, Seok-Won; Kim, Doseok; Choo, Jaebum; Kim, Sehun; Lee, Cheol Min; Yang, Sung Ik; Joo, Sang-Woo

2014-01-01

Surface-enhanced Raman scattering (SERS) of an antifungal reagent, myclobutanil (MCB), was performed on Au and Ag nanoparticles (NPs) to estimate the drug-release behaviors in fungal cells. A density functional theory (DFT) calculation was introduced to predict a favorable binding site of MCB to either the Ag or Au atom. Myclobutanil was presumed to bind more strongly to Au than to Ag in their most stable, optimized geometries of the N4 atom in its 1,2,4-triazole unit binding to the metal atom. Strong intensities were observed in the Ag SERS spectra only at acidic pH values, whereas the most prominent peaks in the Au SERS spectra of MCB matched quite well with those of 1,2,4-triazole regardless of pH conditions. The Raman spectral intensities of the MCB-assembled Ag and Au NPs decreased after treatment with either potato dextrose agar (PDA) or glutathione (GSH). Darkfield microscopy and confocal SERS were performed to analyze the MCB-assembled metal NPs inside Penicillium digitatum fungal cells. The results suggested that MCB was released from the metal NPs in the intracellular GSH in the fungi because we observed only fungal cell peaks.

Nonlinear force dependence on optically bound micro-particle arrays in the evanescent fields of fundamental and higher order microfibre modes

PubMed Central

Maimaiti, Aili; Holzmann, Daniela; Truong, Viet Giang; Ritsch, Helmut; Nic Chormaic, Síle

2016-01-01

Particles trapped in the evanescent field of an ultrathin optical fibre interact over very long distances via multiple scattering of the fibre-guided fields. In ultrathin fibres that support higher order modes, these interactions are stronger and exhibit qualitatively new behaviour due to the coupling of different fibre modes, which have different propagation wave-vectors, by the particles. Here, we study one dimensional longitudinal optical binding interactions of chains of 3 μm polystyrene spheres under the influence of the evanescent fields of a two-mode microfibre. The observation of long-range interactions, self-ordering and speed variation of particle chains reveals strong optical binding effects between the particles that can be modelled well by a tritter scattering-matrix approach. The optical forces, optical binding interactions and the velocity of bounded particle chains are calculated using this method. Results show good agreement with finite element numerical simulations. Experimental data and theoretical analysis show that higher order modes in a microfibre offer a promising method to not only obtain stable, multiple particle trapping or faster particle propulsion speeds, but that they also allow for better control over each individual trapped object in particle ensembles near the microfibre surface. PMID:27451935

On the orthogonal dissipative lax-phillips scattering theory

NASA Astrophysics Data System (ADS)

Neidhardt, Hagen

1988-08-01

The paper is devoted to the so-called orthogonal dissipative Lax-Phillips scattering theory. A parametrization of all possible orthogonal dissipative Lax-Phillips scattering theories is obtained in terms of ordered 6-tuples consisting of unilateral shifts and contractions which can be, roughly speaking, freely chosen. In this parametrization the wave and scattering operators as well as the scattering matrix are explicitly calculated. Moreover, a description of all analytical contraction-valued functions admitting a Darlington synthesis is found.

Polarimetric scattering from layered media with multiple species of scatterers

NASA Technical Reports Server (NTRS)

Nghiem, S. V.; Kwok, R.; Yueh, S. H.; Kong, J. A.; Hsu, C. C.; Tassoudji, M. A.; Shin, R. T.

1995-01-01

Geophysical media are usually heterogeneous and contain multiple species of scatterers. In this paper a model is presented to calculate effective permittivities and polarimetric backscattering coefficients of multispecies-layered media. The same physical description is consistently used in the derivation of both permittivities and scattering coefficients. The strong permittivity fluctuation theory is extended to account for the multiple species of scatterers with a general ellipsoidal shape whose orientations are randomly distributed. Under the distorted Born approximation, polarimetric scattering coefficients are obtained. These calculations are applicable to the special cases of spheroidal and spherical scatterers. The model is used to study effects of scatterer shapes and multispecies mixtures on polarimetric signatures of heterogeneous media. The multispecies model accounts for moisture content in scattering media such as snowpack in an ice sheet. The results indicate a high sensitivity of backscatter to moisture with a stronger dependence for drier snow and ice grain size is important to the backscatter. For frost-covered saline ice, model results for bare ice are compared with measured data at C band and then the frost flower formation is simulated with a layer of fanlike ice crystals including brine infiltration over a rough interface. The results with the frost cover suggest a significant increase in scattering coefficients and a polarimetric signature closer to isotropic characteristics compared to the thin saline ice case.

Scatter fractions from linear accelerators with x-ray energies from 6 to 24 MV.

PubMed

Taylor, P L; Rodgers, J E; Shobe, J

1999-08-01

Computation of shielding requirements for a linear accelerator must take into account the amount of radiation scattered from the patient to areas outside the primary beam. Currently, the most frequently used data are from NCRP 49 that only includes data for x-ray energies up to 6 MV and angles from 30 degrees to 135 degrees. In this work we have determined by Monte Carlo simulation the scattered fractions of dose for a wide range of energies and angles of clinical significance including 6, 10, 18, and 24 MV and scattering angles from 10 degrees to 150 degrees. Calculations were made for a 400 cm2 circular field size impinging onto a spherical phantom. Scattered fractions of dose were determined at 1 m from the phantom. Angles from 10 degrees to 30 degrees are of concern for higher energies where the scatter is primarily in the forward direction. An error in scatter fraction may result in too little secondary shielding near the junction with the primary barrier. The Monte Carlo code ITS (Version 3.0) developed at Sandia National Laboratory and NIST was used to simulate scatter from the patient to the barrier. Of significance was the variation of calculated scattered dose with depth of measurement within the barrier indicating that accurate values may be difficult to obtain. Mean energies of scatter x-ray spectra are presented.

Dependence of mobility on the electron concentration upon scattering at polar optical phonons in A{sup III}–N nitrides

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

Borisenko, S. I., E-mail: sib@tpu.ru

2016-04-15

The dependence of the effective relaxation time on the electron concentration in A{sup III}–N nitrides in the case of electron scattering at polar longitudinal optical phonons is calculated by the marching method. The method takes into account the inelasticity of electron scattering at polar optical phonons for nitrides in the zinc-blende approximation. The calculations show a substantial increase in mobility in samples with a degenerate electron gas, if screening of the long-range potential of polar longitudinal optical phonons is taken into account.

Analyzing power Ay(θ) of n-3He elastic scattering between 1.60 and 5.54 MeV.

PubMed

Esterline, J; Tornow, W; Deltuva, A; Fonseca, A C

2013-04-12

Comprehensive and high-accuracy n-3He elastic scattering analyzing power Ay(θ) angular distributions were obtained at five incident neutron energies between 1.60 and 5.54 MeV. The data are compared to rigorous four-nucleon calculations using high-precision nucleon-nucleon potential models; three-nucleon force effects are found to be very small. The agreement between data and calculations is fair at the lower energies and becomes less satisfactory with increasing neutron energy. Comparison to p-3He scattering over the same energy range exhibits unexpectedly large isospin effects.

Resonant scattering experiments with radioactive nuclear beams - Recent results and future plans

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

Teranishi, T.; Sakaguchi, S.; Uesaka, T.

2013-04-19

Resonant scattering with low-energy radioactive nuclear beams of E < 5 MeV/u have been studied at CRIB of CNS and at RIPS of RIKEN. As an extension to the present experimental technique, we will install an advanced polarized proton target for resonant scattering experiments. A Monte-Carlo simulation was performed to study the feasibility of future experiments with the polarized target. In the Monte-Carlo simulation, excitation functions and analyzing powers were calculated using a newly developed R-matrix calculation code. A project of a small-scale radioactive beam facility at Kyushu University is also briefly described.

Higher Order Heavy Quark Corrections to Deep-Inelastic Scattering

NASA Astrophysics Data System (ADS)

Blümlein, Johannes; DeFreitas, Abilio; Schneider, Carsten

2015-04-01

The 3-loop heavy flavor corrections to deep-inelastic scattering are essential for consistent next-to-next-to-leading order QCD analyses. We report on the present status of the calculation of these corrections at large virtualities Q2. We also describe a series of mathematical, computer-algebraic and combinatorial methods and special function spaces, needed to perform these calculations. Finally, we briefly discuss the status of measuring αs (MZ), the charm quark mass mc, and the parton distribution functions at next-to-next-to-leading order from the world precision data on deep-inelastic scattering.

Elastic scattering of low energy electrons in partially ionized dense semiclassical plasma

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

Dzhumagulova, K. N., E-mail: dzhumagulova.karlygash@gmail.com; Shalenov, E. O.; Ramazanov, T. S.

2015-08-15

Elastic scattering of electrons by hydrogen atoms in a dense semiclassical hydrogen plasma for low impact energies has been studied. Differential scattering cross sections were calculated within the effective model of electron-atom interaction taking into account the effect of screening as well as the quantum mechanical effect of diffraction. The calculations were carried out on the basis of the phase-function method. The influence of the diffraction effect on the Ramsauer–Townsend effect was studied on the basis of a comparison with results made within the effective polarization model of the Buckingham type.

The coupled three-dimensional wave packet approach to reactive scattering

NASA Astrophysics Data System (ADS)

Marković, Nikola; Billing, Gert D.

1994-01-01

A recently developed scheme for time-dependent reactive scattering calculations using three-dimensional wave packets is applied to the D+H2 system. The present method is an extension of a previously published semiclassical formulation of the scattering problem and is based on the use of hyperspherical coordinates. The convergence requirements are investigated by detailed calculations for total angular momentum J equal to zero and the general applicability of the method is demonstrated by solving the J=1 problem. The inclusion of the geometric phase is also discussed and its effect on the reaction probability is demonstrated.

S-193 scatterometer transfer function analysis for data processing

NASA Technical Reports Server (NTRS)

Johnson, L.

1974-01-01

A mathematical model for converting raw data measurements of the S-193 scatterometer into processed values of radar scattering coefficient is presented. The argument is based on an approximation derived from the Radar Equation and actual operating principles of the S-193 Scatterometer hardware. Possible error sources are inaccuracies in transmitted wavelength, range, antenna illumination integrals, and the instrument itself. The dominant source of error in the calculation of scattering coefficent is accuracy of the range. All other ractors with the possible exception of illumination integral are not considered to cause significant error in the calculation of scattering coefficient.

The polarization of continuum radiation in sunspots. I - Rayleigh and Thomson scattering

NASA Technical Reports Server (NTRS)

Finn, G. D.; Jefferies, J. T.

1974-01-01

Expressions are derived for the Stokes parameters of light scattered by a layer of free electrons and hydrogen atoms in a sunspot. A physically reasonable sunspot model was found so that the direction of the calculated linear polarization agrees reasonably with observations. The magnitude of the calculated values of the linear polarization agrees generally with values observed in the continuum at 5830 A. Circular polarization in the continuum also accompanies electron scattering in spot regions; however for commonly accepted values of the longitudinal magnetic field, the predicted circular polarization is much smaller than observed.

Interplay of valley selection and helicity exchange of light in Raman scattering for graphene and MoS2

NASA Astrophysics Data System (ADS)

Tatsumi, Yuki; Saito, Riichiro

2018-03-01

Raman spectra of graphene and MoS2 are calculated for incident and scattered circularly polarized light. In the case of graphene, the well known G -band Raman spectra have a not well known property that the helicity of the incident circularly polarized light changes to another helicity in the scattered light. Using the electron-photon and electron-phonon matrix elements by first-principles calculation, we calculate resonant Raman spectra of graphene and MoS2 for circularly polarized light which are compared with recent experiments. The Raman intensity for circularly polarized light is relevant to optical valley polarization in the case of MoS2. We also discuss how the helicity-selection rule can be modified by applying stress to graphene.

Generalization of the optical theorem for an arbitrary multipole in the presence of a transparent half-space

NASA Astrophysics Data System (ADS)

Eremin, Yu. A.; Sveshnikov, A. G.

2017-07-01

The optical theorem is generalized to the case of excitation of a local inhomogeneity introduced in a transparent substrate by a multipole of arbitrary order. It is shown that, to calculate the generalized extinction cross section, it is sufficient to calculate the derivatives of the scattered field at a single point by adding a constant and a definite integral. Apart from general scientific interest, the proposed generalization makes it possible to calculate the absorption cross section by subtracting the scattering cross section from the extinction cross section. The latter fact is important, because the scattered field in the far zone contains no Sommerfeld integrals. In addition, the proposed generalization allows one to test computer modules for the case where a lossless inhomogeneity is considered.

Development of a neural network technique for KSTAR Thomson scattering diagnostics.

PubMed

Lee, Seung Hun; Lee, J H; Yamada, I; Park, Jae Sun

2016-11-01

Neural networks provide powerful approaches of dealing with nonlinear data and have been successfully applied to fusion plasma diagnostics and control systems. Controlling tokamak plasmas in real time is essential to measure the plasma parameters in situ. However, the χ 2 method traditionally used in Thomson scattering diagnostics hampers real-time measurement due to the complexity of the calculations involved. In this study, we applied a neural network approach to Thomson scattering diagnostics in order to calculate the electron temperature, comparing the results to those obtained with the χ 2 method. The best results were obtained for 10 3 training cycles and eight nodes in the hidden layer. Our neural network approach shows good agreement with the χ 2 method and performs the calculation twenty times faster.

Simple method for determining fullerene negative ion formation★

NASA Astrophysics Data System (ADS)

Felfli, Zineb; Msezane, Alfred Z.

2018-04-01

A robust potential wherein is embedded the crucial core-polarization interaction is used in the Regge-pole methodology to calculate low-energy electron elastic scattering total cross section for the C60 fullerene in the electron impact energy range 0.02 ≤ E ≤ 10.0 eV. The energy position of the characteristic dramatically sharp resonance appearing at the second Ramsauer-Townsend minimum of the total cross section representing stable C60 - fullerene negative ion formation agrees excellently with the measured electron affinity of C60 [Huang et al., J. Chem. Phys. 140, 224315 (2014)]. The benchmarked potential and the Regge-pole methodology are then used to calculate electron elastic scattering total cross sections for selected fullerenes, from C54 through C240. The total cross sections are found to be characterized generally by Ramsauer-Townsend minima, shape resonances and dramatically sharp resonances representing long-lived states of fullerene negative ion formation. For the total cross sections of C70, C76, C78, and C84 the agreement between the energy positions of the very sharp resonances and the measured electron affinities is outstanding. Additionally, we compare our extracted energy positions of the resultant fullerene anions from our calculated total cross sections of the C86, C90 and C92 fullerenes with the estimated electron affinities ≥3.0 eV by the experiment [Boltalina et al., Rapid Commun. Mass Spectrom. 7, 1009 (1993)]. Resonance energy positions of other fullerenes, including C180 and C240 are also obtained. Most of the total cross sections presented in this paper are the first and only; our novel approach is general and should be applicable to other fullerenes as well and complex heavy atoms, such as the lanthanide atoms. We conclude with a remark on the catalytic properties of the fullerenes through their negative ions.

Frequency mismatch in stimulated scattering processes: An important factor for the transverse distribution of scattered light

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

Gong, Tao; Research Center of Laser Fusion, China Academy of Engineering Physics, Mianyang, Sichuan 621900; Zheng, Jian, E-mail: jzheng@ustc.edu.cn

2016-06-15

A 2D cylindrically symmetric model with inclusion of both diffraction and self-focus effects is developed to deal with the stimulated scattering processes of a single hotspot. The calculated results show that the transverse distribution of the scattered light is sensitive to the longitudinal profiles of the plasma parameters. The analysis of the evolution of the scattered light indicates that it is the frequency mismatch of coupling due to the inhomogeneity of plasmas that determines the transverse distribution of the scattered light.

Scattering of Femtosecond Laser Pulses on the Negative Hydrogen Ion

NASA Astrophysics Data System (ADS)

Astapenko, V. A.; Moroz, N. N.

2018-05-01

Elastic scattering of ultrashort laser pulses (USLPs) on the negative hydrogen ion is considered. Results of calculations of the USLP scattering probability are presented and analyzed for pulses of two types: the corrected Gaussian pulse and wavelet pulse without carrier frequency depending on the problem parameters.

Investigating the Spectral Dependence of Biomass Burning Aerosol Optical Properties

NASA Astrophysics Data System (ADS)

Odwuor, A.; Corr, C.; Pusede, S.

2016-12-01

Aerosol optical properties, such as light absorption and scattering, are important for understanding how aerosols affect the global radiation budget and for comparison with data gathered from remote sensing. It has been established that the optical properties of aerosols are wavelength dependent, although some remote sensing measurements do not consider this. Airborne measurements of these optical properties were used to calculate the absorption Angstrom exponent, a parameter that characterizes the wavelength dependence of light absorption by aerosols, and single scattering albedo, which measures the relative magnitude of light scattering to total extinction (scattering and absorption combined). Aerosols produced by biomass burning in Saskatchewan, Canada in July 2008 and a forest fire in Southern California, U.S. in June 2016 were included in this analysis. These wildfires were sampled by the NASA DC-8 aircraft during the Arctic Research of the Composition of the Troposphere from Aircraft and Satellites (ARCTAS) and NASA Student Airborne Research Program (SARP) missions, respectively. Aerosol absorption was measured using a particle soot photometer (PSAP) at 470, 532 and 660 nm. Scattering was measured using a 3-wavelength (450, 550 and 700 nm) nephelometer. Absorption Angstrom exponents were calculated at 470 and 660 nm and single scattering albedos were calculated at 450 and 550 nm. Results of this study indicate that disregarding the wavelength dependence of organic aerosol can understate the positive radiative forcing (warming) associated with aerosol absorption.

Radiative transfer in the earth's atmosphere and ocean: influence of ocean waves.

PubMed

Plass, G N; Kattawar, G W; Guinn, J A

1975-08-01

The radiance in the earth's atmosphere and ocean is calculated for a realistic model including an ocean surface with waves. Individual photons are followed in a Monte Carlo calculation. In the atmosphere, both Rayleigh scattering by the molecules and Mie scattering by the aerosols as well as molecular and aerosol absorption are taken into account. Similarly, in the ocean, both Rayleigh scattering by the water molecules and Mie scattering by the hydrosols as well as absorption by the water molecules and hydrosols are considered. Separate single-scattering functions are used which are calculated separately for the aerosols and the hydrosols from the Mie theory with appropriate and different size distributions in each case. The scattering angles are determined from the appropriate scattering function including the strong forwardscattering peak when there is aerosol or hydrosol scattering. Both the reflected and refracted rays, as well as the rays that undergo total internal reflection, are followed at the oceanc surface. The wave slope is chosen from the Cox-Munk distribution. Graphs show the influence of the waves on the upward radiance at the top of the atmosphere and just above the ocean surface and on the downward radiance just below the ocean surface as well as deeper within the ocean. The radiance changes are sufficient at the top of the atmosphere to determine the sea state from satellite measurements. Within the ocean the waves smooth out the abrupt transition that occurs at the edge of the allowed cone for radiation entering a calm ocean. The influence of the waves on the contrast between the sky and sea at the horizon is discussed. It is shown that the downward flux just below the surface increases with wind speed at all solar angles.

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

Haseeb, Syed Abdul; Ahmad, Syed Bilal; Mirza, Sika

Purpose: To assess the impact of radiation treatment delivery through patient inhomogeneities on the secondary barrier shielding requirements in IMRT treatments using Monte Carlo Simulations. Materials and Methods: Scatter factors were calculated at a distance of 1m from the center of a virtual phantom in Geant4.10.01. Phantom (30×30×30 cm{sup 3}) was inserted with lung (30×30×8 cm{sup 3}), stainless steel (5×5×5 cm{sup 3}) and aluminum (5×5×5 cm{sup 3}) to represent the inhomogeneities. Scatter factor was defined according to the NCRP-151 recommendations and was calculated for angles of 3° to 120° with respect to the beam’s central axis. A virtual radiation source,more » with energy sampled from a histogram representing 6 MV FFF beam, was used for irradiation with a field size of 15×15 cm{sup 2} and SSD of 100 cm. Results: Irradiation through the inhomogeneity affects the patient scattered dose. For high Z material inhomogeneities the scattered dose is reduced due to significant attenuation of the primary radiation. On the other hand if the inhomogeneity is a low Z material such as lung the scattered dose is higher by a maximum of 26%. The average increase in scatter factors for the lung phantom was 17% for angles between 3° and 63° compared to the homogeneous water phantom. Conclusions: In IMRT type treatments delivered through low density patient inhomogeneities (lung) the scattered dose increases significantly. Considering a large proportion of patients receiving radiation therapy for lung cancers the increase in the scattered dose should be incorporated in the shielding calculations for the secondary barriers.« less

Peripheral elastic and inelastic scattering of 17,18O on light targets at 12 MeV/nucleon

NASA Astrophysics Data System (ADS)

Carstoiu, F.; Al-Abdullah, T.; Gagliardi, C. A.; Trache, L.

2015-02-01

The elastic and inelastic scattering of 17,18O with light targets has been undertaken at 12 MeV/nucleon in order to determine the optical potentials needed for the transfer reaction 13C (17O ,18O )12C . Optical potentials in both incoming and outgoing channels have been determined in a single experiment. This transfer reaction was used to infer the direct capture rate to the 17F ( p ,γ)18Ne which is essential to estimate the production of 18F at stellar energies in ONe novae. We demonstrate the stability of the ANC method and OMP results using good quality elastic and inelastic scattering data with stable beams. The peripherality of our reaction is inferred from a semiclassical decomposition of the total scattering amplitude into barrier and internal barrier components. Comparison between elastic scattering of 17O , 18O and 16O projectiles is made.

Ground settlement monitoring from temporarily persistent scatterers between two SAR acquisitions

USGS Publications Warehouse

Lei, Z.; Xiaoli, D.; Guangcai, F.; Zhong, L.

2009-01-01

We present an improved differential interferometric synthetic aperture radar (DInSAR) analysis method that measures motions of scatterers whose phases are stable between two SAR acquisitions. Such scatterers are referred to as temporarily persistent scatterers (TPS) for simplicity. Unlike the persistent scatterer InSAR (PS-InSAR) method that relies on a time-series of interferograms, the new algorithm needs only one interferogram. TPS are identified based on pixel offsets between two SAR images, and are specially coregistered based on their estimated offsets instead of a global polynomial for the whole image. Phase unwrapping is carried out based on an algorithm for sparse data points. The method is successfully applied to measure the settlement in the Hong Kong Airport area. The buildings surrounded by vegetation were successfully selected as TPS and the tiny deformation signal over the area was detected. ??2009 IEEE.

Vibrational (FT-IR, Raman) and DFT analysis on the structure of labile drugs. The case of crystalline tebipenem and its ester

NASA Astrophysics Data System (ADS)

Paczkowska, Magdalena; Mizera, Mikołaj; Dzitko, Jakub; Lewandowska, Kornelia; Zalewski, Przemysław; Cielecka-Piontek, Judyta

2017-04-01

A tebipenem is active form of the first, oral carbapenem antibiotic - tebipenem pivoxyl. The optimized conformations of tebipenem pivoxyl and tebipenem were determinated by quantum-chemical calculations performed with the use of B3LYP functional and 6-31G(d,p) as a basis set. For the most stable conformations of tebipenem and its ester were established theoretical Raman and FT-IR spectra. The theoretical approach in significant part was support for identification of experimental Raman (400-4000 cm-1) and FT-IR (100-4000 cm-1) of tebipenem and tebipenem pivoxil. The geometric structure of molecules, HOMO and LUMO orbitals and molecular electrostatic potential were also determined. The benefits of applying FT-IR and Raman scattering spectroscopy for characterization of tebipenem and its ester consisted in demonstrating differences in their spectral properties.

Photonic mesophases from cut rod rotators

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

Stelson, Angela C.; Liddell Watson, Chekesha M., E-mail: cml66@cornell.edu; Avendano, Carlos

2016-01-14

The photonic band properties of random rotator mesophases are calculated using supercell methods applied to cut rods on a hexagonal lattice. Inspired by the thermodynamic mesophase for anisotropic building blocks, we vary the shape factor of cut fraction for the randomly oriented basis. We find large, stable bandgaps with high gap isotropy in the inverted and direct structures as a function of cut fraction, dielectric contrast, and filling fraction. Bandgap sizes up to 34.5% are maximized at high dielectric contrast for rods separated in a matrix. The bandgaps open at dielectric contrasts as low as 2.0 for the transverse magneticmore » polarization and 2.25 for the transverse electric polarization. Additionally, the type of scattering that promotes the bandgap is correlated with the effect of disorder on bandgap size. Slow light properties are investigated in waveguide geometry and slowdown factors up to 5 × 10{sup 4} are found.« less

McStas 1.1: a tool for building neutron Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Lefmann, K.; Nielsen, K.; Tennant, A.; Lake, B.

2000-03-01

McStas is a project to develop general tools for the creation of simulations of neutron scattering experiments. In this paper, we briefly introduce McStas and describe a particular application of the program: the Monte Carlo calculation of the resolution function of a standard triple-axis neutron scattering instrument. The method compares well with the analytical calculations of Popovici.

Transport properties of random media: A new effective medium theory

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

Busch, K.; Soukoulis, C.M.

We present a new method for efficient, accurate calculations of transport properties of random media. It is based on the principle that the wave energy density should be uniform when averaged over length scales larger than the size of the scatterers. This scheme captures the effects of resonant scattering of the individual scatterer exactly, as well as the multiple scattering in a mean-field sense. It has been successfully applied to both ``scalar`` and ``vector`` classical wave calculations. Results for the energy transport velocity are in agreement with experiment. This approach is of general use and can be easily extended tomore » treat different types of wave propagation in random media. {copyright} {ital 1995} {ital The} {ital American} {ital Physical} {ital Society}.« less

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

DOE PAGES

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

2014-11-14

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

Huygens-Fresnel picture for electron-molecule elastic scattering★

NASA Astrophysics Data System (ADS)

Baltenkov, Arkadiy S.; Msezane, Alfred Z.

2017-11-01

The elastic scattering cross sections for a slow electron by C2 and H2 molecules have been calculated within the framework of the non-overlapping atomic potential model. For the amplitudes of the multiple electron scattering by a target the wave function of the molecular continuum is represented as a combination of a plane wave and two spherical waves generated by the centers of atomic spheres. This wave function obeys the Huygens-Fresnel principle according to which the electron wave scattering by a system of two centers is accompanied by generation of two spherical waves; their interaction creates a diffraction pattern far from the target. Each of the Huygens waves, in turn, is a superposition of the partial spherical waves with different orbital angular momenta l and their projections m. The amplitudes of these partial waves are defined by the corresponding phases of electron elastic scattering by an isolated atomic potential. In numerical calculations the s- and p-phase shifts are taken into account. So the number of interfering electron waves is equal to eight: two of which are the s-type waves and the remaining six waves are of the p-type with different m values. The calculation of the scattering amplitudes in closed form (rather than in the form of S-matrix expansion) is reduced to solving a system of eight inhomogeneous algebraic equations. The differential and total cross sections of electron scattering by fixed-in-space molecules and randomly oriented ones have been calculated as well. We conclude by discussing the special features of the S-matrix method for the case of arbitrary non-spherical potentials. Contribution to the Topical Issue "Low energy positron and electron interactions", edited by James Sullivan, Ron White, Michael Bromley, Ilya Fabrikant, and David Cassidy.

Impact of Snow Grain Shape and Internal Mixing with Black Carbon Aerosol on Snow Optical Properties for use in Climate Models

NASA Astrophysics Data System (ADS)

He, C.; Liou, K. N.; Takano, Y.; Yang, P.; Li, Q.; Chen, F.

2017-12-01

A set of parameterizations is developed for spectral single-scattering properties of clean and black carbon (BC)-contaminated snow based on geometric-optic surface-wave (GOS) computations, which explicitly resolves BC-snow internal mixing and various snow grain shapes. GOS calculations show that, compared with nonspherical grains, volume-equivalent snow spheres show up to 20% larger asymmetry factors and hence stronger forward scattering, particularly at wavelengths <1 mm. In contrast, snow grain sizes have a rather small impact on the asymmetry factor at wavelengths <1 mm, whereas size effects are important at longer wavelengths. The snow asymmetry factor is parameterized as a function of effective size, aspect ratio, and shape factor, and shows excellent agreement with GOS calculations. According to GOS calculations, the single-scattering coalbedo of pure snow is predominantly affected by grain sizes, rather than grain shapes, with higher values for larger grains. The snow single-scattering coalbedo is parameterized in terms of the effective size that combines shape and size effects, with an accuracy of >99%. Based on GOS calculations, BC-snow internal mixing enhances the snow single-scattering coalbedo at wavelengths <1 mm, but it does not alter the snow asymmetry factor. The BC-induced enhancement ratio of snow single-scattering coalbedo, independent of snow grain size and shape, is parameterized as a function of BC concentration with an accuracy of >99%. Overall, in addition to snow grain size, both BC-snow internal mixing and snow grain shape play critical roles in quantifying BC effects on snow optical properties. The present parameterizations can be conveniently applied to snow, land surface, and climate models including snowpack radiative transfer processes.

A model calculation of coherence effects in the elastic backscattering of very low energy electrons (1-20 eV) from amorphous ice.

PubMed

Liljequist, David

2012-01-01

Backscattering of very low energy electrons in thin layers of amorphous ice is known to provide experimental data for the elastic and inelastic cross sections and indicates values to be expected in liquid water. The extraction of cross sections was based on a transport analysis consistent with Monte Carlo simulation of electron trajectories. However, at electron energies below 20 eV, quantum coherence effects may be important and trajectory-based methods may be in significant error. This possibility is here investigated by calculating quantum multiple elastic scattering of electrons in a simple model of a very small, thin foil of amorphous ice. The average quantum multiple elastic scattering of electrons is calculated for a large number of simulated foils, using a point-scatterer model for the water molecule and taking inelastic absorption into account. The calculation is compared with a corresponding trajectory simulation. The difference between average quantum scattering and trajectory simulation at energies below about 20 eV is large, in particular in the forward scattering direction, and is found to be almost entirely due to coherence effects associated with the short-range order in the amorphous ice. For electrons backscattered at the experimental detection angle (45° relative to the surface normal) the difference is however small except at electron energies below about 10 eV. Although coherence effects are in general found to be strong, the mean free path values derived by trajectory-based analysis may actually be in fair agreement with the result of an analysis based on quantum scattering, at least for electron energies larger than about 10 eV.

Effect of Aerosol Variation on Radiance in the Earth's Atmosphere-Ocean System.

PubMed

Plass, G N; Kattawar, G W

1972-07-01

The reflected and transmitted radiance is calculated for a realistic model of the atmosphere-ocean system. Multiple scattering to all orders as well as anisotropic scattering from aerosols are taken into account by a Monte Carlo technique. The probability for reflection or refraction at the ocean surface is calculated for each photon. Scattering and absorption by water molecules (Rayleigh) and by hydrosols (Mie) are taken into account within the ocean. The radiance is calculated for a normal aerosol distribution as well as for a three and ten times normal distribution. Calculations are also made for an aerosol layer near the earth as well as for one in the stratosphere. The upward radiance at the top of the atmosphere depends strongly on the total number of aerosols but not on their spatial distribution. Variations in the ozone amount also have little effect on the upward radiance. The calculations are made at the following wavelengths: 0.7 micro, 0.9 micro, 1.67 micro. The radiance above and below the ocean surface as well as the flux at various levels are also discussed.

A Backscattering Enhanced Microwave Canopy Scattering Model Based On MIMICS

NASA Astrophysics Data System (ADS)

Shen, X.; Hong, Y.; Qin, Q.; Chen, S.; Grout, T.

2010-12-01

For modeling microwave scattering of vegetated areas, several microwave canopy scattering models, based on the vectorized radiative transfer equation (VRT) that use different solving techniques, have been proposed in the past three decades. As an iterative solution of VRT at low orders, the Michigan Microwave Canopy Scattering Model (MIMICS) gives an analytical expression for calculating scattering as long as the volume scattering is not too strong. The most important usage of such models is to predict scattering in the backscattering direction. Unfortunately, the simplified assumption of MIMICS is that the scattering between the ground and trunk layers only includes the specular reflection. As a result, MIMICS includes a dominant coherent term which vanishes in the backscattering direction because this term contains a delta function factor of zero in this direction. This assumption needs reconsideration for accurately calculating the backscattering. In the framework of MIMICS, any incoherent terms that involve surface scattering factors must at least undergo surface scattering twice and volume scattering once. Therefore, these incoherent terms are usually very weak. On the other hand, due to the phenomenon of backscattering enhancement, the surface scattering in the backscattering direction is very strong compared to most other directions. Considering the facts discussed above, it is reasonable to add a surface backscattering term to the last equation of the boundary conditions of MIMICS. More terms appear in the final result including a backscattering coherent term which enhances the backscattering. The modified model is compared with the original MIMICS (version 1.0) using JPL/AIRSAR data from NASA Campaign Soil Moisture Experimental 2003 (SMEX03) and Washita92. Significant improvement is observed.

Measurement of multiple scattering of 13 and 20 MeV electrons by thin foils

PubMed Central

Ross, C. K.; McEwen, M. R.; McDonald, A. F.; Cojocaru, C. D.; Faddegon, B. A.

2008-01-01

To model the transport of electrons through material requires knowledge of how the electrons lose energy and scatter. Theoretical models are used to describe electron energy loss and scatter and these models are supported by a limited amount of measured data. The purpose of this work was to obtain additional data that can be used to test models of electron scattering. Measurements were carried out using 13 and 20 MeV pencil beams of electrons produced by the National Research Council of Canada research accelerator. The electron fluence was measured at several angular positions from 0° to 9° for scattering foils of different thicknesses and with atomic numbers ranging from 4 to 79. The angle, θ1∕e, at which the fluence has decreased to 1∕e of its value on the central axis was used to characterize the distributions. Measured values of θ1∕e ranged from 1.5° to 8° with a typical uncertainty of about 1%. Distributions calculated using the EGSnrc Monte Carlo code were compared to the measured distributions. In general, the calculated distributions are narrower than the measured ones. Typically, the difference between the measured and calculated values of θ1∕e is about 1.5%, with the maximum difference being 4%. The measured and calculated distributions are related through a simple scaling of the angle, indicating that they have the same shape. No significant trends with atomic number were observed. PMID:18841865

Calculations of Reflected and Transmitted Radiance for Earth's Atmosphere.

PubMed

Plass, G N; Kattawar, G W

1968-06-01

The reflected and transmitted radiance of the earth's atmosphere is calculated by Monte Carlo techniques. The exact scattering function for the aerosols is used as calculated from the Mie theory. The aerosol vs height distributions proposed by Elterman and by Kondratiev et al. are compared. The Rayleigh and aerosol scattering events are included in the calculation, as well as the ozone absorption, where appropriate. Results are given at wavelengths of 0.27 micro, 0.3 micro, 0.4 micro, 0.7 micro, and 1.67 micro. The mean optical paths of the reflected and transmitted photons, the flux at the lower boundary, and the planetary albedo are tabulated.

Development of a nuclear technique for monitoring water levels in pressurized vehicles

NASA Technical Reports Server (NTRS)

Singh, J. J.; Davis, W. T.; Mall, G. H.

1983-01-01

A new technique for monitoring water levels in pressurized stainless steel cylinders was developed. It is based on differences in attenuation coefficients of water and air for Cs137 (662 keV) gamma rays. Experimentally observed gamma ray counting rates with and without water in model reservoir cylinder were compared with corresponding calculated values for two different gamma ray detection theshold energies. Calculated values include the effects of multiple scattering and attendant gamma ray energy reductions. The agreement between the measured and calculated values is reasonably good. Computer programs for calculating angular and spectral distributions of scattered radition in various media are included.

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

NASA Astrophysics Data System (ADS)

Kawabata, Kiyoshi

2018-01-01

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

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

Dynamical basis sets for algebraic variational calculations in quantum-mechanical scattering theory

NASA Technical Reports Server (NTRS)

Sun, Yan; Kouri, Donald J.; Truhlar, Donald G.; Schwenke, David W.

1990-01-01

New basis sets are proposed for linear algebraic variational calculations of transition amplitudes in quantum-mechanical scattering problems. These basis sets are hybrids of those that yield the Kohn variational principle (KVP) and those that yield the generalized Newton variational principle (GNVP) when substituted in Schlessinger's stationary expression for the T operator. Trial calculations show that efficiencies almost as great as that of the GNVP and much greater than the KVP can be obtained, even for basis sets with the majority of the members independent of energy.

Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111)

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

Kroes, Geert-Jan, E-mail: g.j.kroes@chem.leidenuniv.nl; Pavanello, Michele; Blanco-Rey, María

2014-08-07

Energy loss from the translational motion of an atom or molecule impinging on a metal surface to the surface may determine whether the incident particle can trap on the surface, and whether it has enough energy left to react with another molecule present at the surface. Although this is relevant to heterogeneous catalysis, the relative extent to which energy loss of hot atoms takes place to phonons or electron-hole pair (ehp) excitation, and its dependence on the system's parameters, remain largely unknown. We address these questions for two systems that present an extreme case of the mass ratio of themore » incident atom to the surface atom, i.e., H + Cu(111) and H + Au(111), by presenting adiabatic ab initio molecular dynamics (AIMD) predictions of the energy loss and angular distributions for an incidence energy of 5 eV. The results are compared to the results of AIMDEFp calculations modeling energy loss to ehp excitation using an electronic friction (“EF”) model applied to the AIMD trajectories, so that the energy loss to the electrons is calculated “post” (“p”) the computation of the AIMD trajectory. The AIMD calculations predict average energy losses of 0.38 eV for Cu(111) and 0.13-0.14 eV for Au(111) for H-atoms that scatter from these surfaces without penetrating the surface. These energies closely correspond with energy losses predicted with Baule models, which is suggestive of structure scattering. The predicted adiabatic integral energy loss spectra (integrated over all final scattering angles) all display a lowest energy peak at an energy corresponding to approximately 80% of the average adiabatic energy loss for non-penetrative scattering. In the adiabatic limit, this suggests a way of determining the approximate average energy loss of non-penetratively scattered H-atoms from the integral energy loss spectrum of all scattered H-atoms. The AIMDEFp calculations predict that in each case the lowest energy loss peak should show additional energy loss in the range 0.2-0.3 eV due to ehp excitation, which should be possible to observe. The average non-adiabatic energy losses for non-penetrative scattering exceed the adiabatic losses to phonons by 0.9-1.0 eV. This suggests that for scattering of hyperthermal H-atoms from coinage metals the dominant energy dissipation channel should be to ehp excitation. These predictions can be tested by experiments that combine techniques for generating H-atom beams that are well resolved in translational energy and for detecting the scattered atoms with high energy-resolution.« less

Two space scatterer formalism calculation of bulk parameters of thunderclouds

NASA Technical Reports Server (NTRS)

Phanord, Dieudonne D.

1994-01-01

In a previous study, we used a modified two-space scatterer formalism of Twersky to establish for a cloud modeled as a statistically homogeneous distribution of spherical water droplets, the dispersion relations that determine its bulk propagation numbers and bulk indexes of refraction in terms of the vector equivalent scattering amplitude and the dyadic scattering amplitude of the single water droplet in isolation. The results were specialized to the forward direction of scattering while demanding that the scatterers preserve the incident polarization. We apply this approach to obtain specific numerical values for the macroscopic parameters of the cloud. We work with a cloud of density rho = 100 cm(exp -3), a wavelength lambda = 0.7774 microns, and with spherical water droplets of common radius alpha = 10 microns. In addition, the scattering medium is divided into three parts, the medium outside the cloud, moist air (the medium inside the cloud but outside the droplets), and the medium inside the spherical water droplets. The results of this report are applicable to a cloud of any geometry since the boundary does not interfere with the calculations. Also, it is important to notice the plane wave nature of the incidence wave in the moist atmosphere.

Rotationally inelastic scattering of ND3 with H2 as a probe of the intermolecular potential energy surface

NASA Astrophysics Data System (ADS)

Tkáč, Ondřej; Saha, Ashim K.; Loreau, Jérôme; Ma, Qianli; Dagdigian, Paul J.; Parker, David H.; van der Avoird, Ad; Orr-Ewing, Andrew J.

2015-12-01

Differential cross sections (DCSs) are reported for rotationally inelastic scattering of ND3 with H2, measured using a crossed molecular beam apparatus with velocity map imaging (VMI). ND3 molecules were quantum-state selected in the ground electronic and vibrational levels and, optionally, in the j±k = 11- rotation-inversion level prior to collisions. Inelastic scattering of state-selected ND3 with H2 was measured at the mean collision energy of 580 cm-1 by resonance-enhanced multiphoton ionisation spectroscopy and VMI of ND3 in selected single final j'±k' levels. Comparison of experimental DCSs with close-coupling quantum-mechanical scattering calculations serves as a test of a recently reported ab initio potential energy surface. Calculated integral cross sections reveal the propensities for scattering into various final j'±k' levels of ND3 and differences between scattering by ortho and para H2. Integral and differential cross sections are also computed at a mean collision energy of 430 cm-1 and compared to our recent results for inelastic scattering of state-selected ND3 with He.

Hot electron inelastic scattering and transmission across graphene surfaces

NASA Astrophysics Data System (ADS)

Kong, Byoung Don; Champlain, James G.; Boos, J. Brad

2017-06-01

Inelastic scattering and transmission of externally injected hot carriers across graphene layers are considered as a function of graphene carrier density, temperature, and surrounding dielectric media. A finite temperature dynamic dielectric function for graphene for an arbitrary momentum q and frequency ω is found under the random phase approximation and a generalized scattering lifetime formalism is used to calculate the scattering and transmission rates. Unusual trends in scattering are found, including declining rates as graphene carrier density increases and interband transition excitations, which highlights the difference with out-of-plane as compared to in-plane transport. The results also show strong temperature dependence with a drastic increase in scattering at room temperature. The calculated scattering rate at T = 300 K shows a wide variation from 0.2 to 10 fs-1 depending on graphene carrier density, incident carrier momentum, and surrounding dielectrics. The analysis suggests that a transmission rate greater than 0.9 for a carrier with kinetic energy over 1 eV is achievable by carefully controlling the graphene carrier density in conjunction with the use of high-κ dielectric materials. Potential applications to electronic and electro-optical devices are also discussed.

Ab initio optical potentials and nucleon scattering on medium mass nuclei

NASA Astrophysics Data System (ADS)

Idini, A.; Barbieri, C.; Navrátil, P.

2018-03-01

We show first results for the elastic scattering of neutrons off oxygen and calcium isotopes obtained from ab initio optical potentials. The potential is derived using self-consistent Green’s function theory (SCGF) with the saturating chiral interaction NNLOsat. Calculations are compared to available scattering data and show that it is possible to reproduce low energy scattering observables in medium mass nuclei from first principles.

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

Neutron scattering in the proximate quantum spin liquid α-RuCl3

NASA Astrophysics Data System (ADS)

Banerjee, Arnab; Yan, Jiaqiang; Knolle, Johannes; Bridges, Craig A.; Stone, Matthew B.; Lumsden, Mark D.; Mandrus, David G.; Tennant, David A.; Moessner, Roderich; Nagler, Stephen E.

2017-06-01

The Kitaev quantum spin liquid (KQSL) is an exotic emergent state of matter exhibiting Majorana fermion and gauge flux excitations. The magnetic insulator α-RuCl3 is thought to realize a proximate KQSL. We used neutron scattering on single crystals of α-RuCl3 to reconstruct dynamical correlations in energy-momentum space. We discovered highly unusual signals, including a column of scattering over a large energy interval around the Brillouin zone center, which is very stable with temperature. This finding is consistent with scattering from the Majorana excitations of a KQSL. Other, more delicate experimental features can be transparently associated with perturbations to an ideal model. Our results encourage further study of this prototypical material and may open a window into investigating emergent magnetic Majorana fermions in correlated materials.

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

Checco, A.; Hofmann, T.; DiMasi, E.

The details of air nanobubble trapping at the interface between water and a nanostructured hydrophobic silicon surface are investigated using X-ray scattering and contact angle measurements. Large-area silicon surfaces containing hexagonally packed, 20 nm wide hydrophobic cavities provide ideal model surfaces for studying the morphology of air nanobubbles trapped inside cavities and its dependence on the cavity depth. Transmission small-angle X-ray scattering measurements show stable trapping of air inside the cavities with a partial water penetration of 5-10 nm into the pores, independent of their large depth variation. This behavior is explained by consideration of capillary effects and the cavitymore » geometry. For parabolic cavities, the liquid can reach a thermodynamically stable configuration - a nearly planar nanobubble meniscus - by partially penetrating into the pores. This microscopic information correlates very well with the macroscopic surface wetting behavior.« less

A model of primary and scattered photon fluence for mammographic x-ray image quantification

NASA Astrophysics Data System (ADS)

Tromans, Christopher E.; Cocker, Mary R.; Brady, Michael, Sir

2012-10-01

We present an efficient method to calculate the primary and scattered x-ray photon fluence component of a mammographic image. This can be used for a range of clinically important purposes, including estimation of breast density, personalized image display, and quantitative mammogram analysis. The method is based on models of: the x-ray tube; the digital detector; and a novel ray tracer which models the diverging beam emanating from the focal spot. The tube model includes consideration of the anode heel effect, and empirical corrections for wear and manufacturing tolerances. The detector model is empirical, being based on a family of transfer functions that cover the range of beam qualities and compressed breast thicknesses which are encountered clinically. The scatter estimation utilizes optimal information sampling and interpolation (to yield a clinical usable computation time) of scatter calculated using fundamental physics relations. A scatter kernel arising around each primary ray is calculated, and these are summed by superposition to form the scatter image. Beam quality, spatial position in the field (in particular that arising at the air-boundary due to the depletion of scatter contribution from the surroundings), and the possible presence of a grid, are considered, as is tissue composition using an iterative refinement procedure. We present numerous validation results that use a purpose designed tissue equivalent step wedge phantom. The average differences between actual acquisitions and modelled pixel intensities observed across the adipose to fibroglandular attenuation range vary between 5% and 7%, depending on beam quality and, for a single beam quality are 2.09% and 3.36% respectively with and without a grid.

Conformational analysis, tautomerization, IR, Raman, and NMR studies of benzyl acetoacetate

NASA Astrophysics Data System (ADS)

Tayyari, Sayyed Faramarz; Naghavi, Farnaz; Pojhan, Sahar; McClurg, Ryan W.; Sammelson, Robert E.

2011-02-01

A complete conformational analysis of the keto and enol forms of benzyl acetoacetate (BAA), a β-dicarbonyl compound, was carried out by ab initio calculations, at the density functional theory (DFT) level. By inspection of all possible conformers and tautomers, 22 stable cis-enol, 28 stable trans-enol, and five keto conformers were obtained. Among all stable cis-enol forms only six of them are engaged in intramolecular hydrogen bond. The hydrogen bond strength of the most stable conformer of BAA is compared with that of acetylacetone (AA) and dimethyl oxaloacetate (DMOA). Harmonic vibrational frequencies of the most stable enol and keto forms and their deuterated analogues were also calculated and compared with the experimental data. According to the theoretical calculations, the hydrogen bond strength of the most stable enol conformer of BAA is 56.7 kJ/mol (calculated at the B3LYP/6-311++G ∗∗ level), about 10 kJ/mol less than that of AA. This weakening of hydrogen bond is consistent with the spectroscopic results. NMR studies indicate that BAA exists mainly as a keto tautomer in all considered solutions. The Gibbs energies for keto/enol tautomerization were calculated at the B3LYP level, with several basis sets, in both gas phase and CH 3CN solution (using PCM model), for the most stable enol and keto conformers.

Ab initio phonon point defect scattering and thermal transport in graphene

NASA Astrophysics Data System (ADS)

Polanco, Carlos A.; Lindsay, Lucas

2018-01-01

We study the scattering of phonons from point defects and their effect on lattice thermal conductivity κ using a parameter-free ab initio Green's function methodology. Specifically, we focus on the scattering of phonons by boron (B), nitrogen (N), and phosphorus substitutions as well as single- and double-carbon vacancies in graphene. We show that changes of the atomic structure and harmonic interatomic force constants locally near defects govern the strength and frequency trends of the scattering of out-of-plane acoustic (ZA) phonons, the dominant heat carriers in graphene. ZA scattering rates due to N substitutions are nearly an order of magnitude smaller than those for B defects despite having similar mass perturbations. Furthermore, ZA phonon scattering rates from N defects decrease with increasing frequency in the lower-frequency spectrum in stark contrast to expected trends from simple models. ZA phonon-vacancy scattering rates are found to have a significantly softer frequency dependence (˜ω0 ) in graphene than typically employed in phenomenological models. The rigorous Green's function calculations demonstrate that typical mass-defect models do not adequately describe ZA phonon-defect scattering rates. Our ab initio calculations capture well the trend of κ vs vacancy density from experiments, though not the magnitudes. This work elucidates important insights into phonon-defect scattering and thermal transport in graphene, and demonstrates the applicability of first-principles methods toward describing these properties in imperfect materials.

Reaction dynamics studies for the system 7Be+58Ni

NASA Astrophysics Data System (ADS)

Torresi, D.; Mazzocco, M.; Acosta, L.; Boiano, A.; Boiano, C.; Diaz-Torres, A.; Fierro, N.; Glodariu, T.; Grilj, L.; Guglielmetti, A.; Keeley, N.; La Commara, M.; Martel, I.; Mazzocchi, C.; Molini, P.; Pakou, A.; Parascandolo, C.; Parkar, V. V.; Patronis, N.; Pierroutsakou, D.; Romoli, M.; Rusek, K.; Sanchez-Benitez, A. M.; Sandoli, M.; Signorini, C.; Silvestri, R.; Soramel, F.; Stiliaris, E.; Strano, E.; Stroe, L.; Zerva, K.

2015-04-01

The study of reactions induced by exotic weakly bound nuclei at energies around the Coulomb barrier had attracted a large interest in the last decade, since the features of these nuclei can deeply affect the reaction dynamics. The discrimination between different reaction mechanisms is, in general, a rather difficult task. It can be achieved by using detector arrays covering high solid angle and with high granularity that allow to measure the reaction products and, possibly, coincidences between them, as, for example, recently done for stable weakly bound nuclei [1, 2]. We investigated the collision of the weakly bound nucleus 7Be on a 58Ni target at the beam energy of 1.1 times the Coulomb barrier, measuring the elastic scattering angular distribution and the energy and angular distributions of 3He and 4He. The 7Be radioactive ion beam was produced by the facility EXOTIC at INFN-LNL with an energy of 22 MeV and an intensity of ~3×105 pps. Results showed that the 4He yeld is about 4 times larger than 3He yield, suggesting that reaction mechanisms other than the break-up mostly produce the He isotopes. Theoretical calculations for transfer channels and compound nucleus reactions suggest that complete fusion accounts for (41±5%) of the total reaction cross section extracted from optical model analysis of the elastic scattering data, and that 3He and 4He stripping are the most populated reaction channels among direct processes. Eventually estimation of incomplete fusion contributions to the 3,4He production cross sections was performed through semi-classical calculations with the code PLATYPUS [3].

Static and dynamic light scattering of healthy and malaria-parasite invaded red blood cells

NASA Astrophysics Data System (ADS)

Park, Yongkeun; Diez-Silva, Monica; Fu, Dan; Popescu, Gabriel; Choi, Wonshik; Barman, Ishan; Suresh, Subra; Feld, Michael S.

2010-03-01

We present the light scattering of individual Plasmodium falciparum-parasitized human red blood cells (Pf-RBCs), and demonstrate progressive alterations to the scattering signal arising from the development of malaria-inducing parasites. By selectively imaging the electric fields using quantitative phase microscopy and a Fourier transform light scattering technique, we calculate the light scattering maps of individual Pf-RBCs. We show that the onset and progression of pathological states of the Pf-RBCs can be clearly identified by the static scattering maps. Progressive changes to the biophysical properties of the Pf-RBC membrane are captured from dynamic light scattering.

A solar radiation model for use in climate studies

NASA Technical Reports Server (NTRS)

Chou, Ming-Dah

1992-01-01

A solar radiation routine is developed for use in climate studies that includes absorption and scattering due to ozone, water vapor, oxygen, carbon dioxide, clouds, and aerosols. Rayleigh scattering is also included. Broadband parameterization is used to compute the absorption by water vapor in a clear atmosphere, and the k-distribution method is applied to compute fluxes in a scattering atmosphere. The reflectivity and transmissivity of a scattering layer are computed analytically using the delta-four-stream discrete-ordinate approximation. The two-stream adding method is then applied to compute fluxes for a composite of clear and scattering layers. Compared to the results of high spectral resolution and detailed multiple-scattering calculations, fluxes and heating rate are accurately computed to within a few percent. The high accuracy of the flux and heating-rate calculations is achieved with a reasonable amount of computing time. With the UV and visible region grouped into four bands, this solar radiation routine is useful not only for climate studies but also for studies on photolysis in the upper atmosphere and photosynthesis in the biosphere.

Computing the qg → qg cross section using the BCFW recursion and introduction to jet tomography in heavy ion collisions via MHV techniques

NASA Astrophysics Data System (ADS)

Rabemananajara, Tanjona R.; Horowitz, W. A.

2017-09-01

To make predictions for the particle physics processes, one has to compute the cross section of the specific process as this is what one can measure in a modern collider experiment such as the Large Hadron Collider (LHC) at CERN. Theoretically, it has been proven to be extremely difficult to compute scattering amplitudes using conventional methods of Feynman. Calculations with Feynman diagrams are realizations of a perturbative expansion and when doing calculations one has to set up all topologically different diagrams, for a given process up to a given order of coupling in the theory. This quickly makes the calculation of scattering amplitudes a hot mess. Fortunately, one can simplify calculations by considering the helicity amplitude for the Maximally Helicity Violating (MHV). This can be extended to the formalism of on-shell recursion, which is able to derive, in a much simpler way the expression of a high order scattering amplitude from lower orders.

Electromagnetic scattering calculations on the Intel Touchstone Delta

NASA Technical Reports Server (NTRS)

Cwik, Tom; Patterson, Jean; Scott, David

1992-01-01

During the first year's operation of the Intel Touchstone Delta system, software which solves the electric field integral equations for fields scattered from arbitrarily shaped objects has been transferred to the Delta. To fully realize the Delta's resources, an out-of-core dense matrix solution algorithm that utilizes some or all of the 90 Gbyte of concurrent file system (CFS) has been used. The largest calculation completed to date computes the fields scattered from a perfectly conducting sphere modeled by 48,672 unknown functions, resulting in a complex valued dense matrix needing 37.9 Gbyte of storage. The out-of-core LU matrix factorization algorithm was executed in 8.25 h at a rate of 10.35 Gflops. Total time to complete the calculation was 19.7 h-the additional time was used to compute the 48,672 x 48,672 matrix entries, solve the system for a given excitation, and compute observable quantities. The calculation was performed in 64-b precision.

Multilevel fast multipole method based on a potential formulation for 3D electromagnetic scattering problems.

PubMed

Fall, Mandiaye; Boutami, Salim; Glière, Alain; Stout, Brian; Hazart, Jerome

2013-06-01

A combination of the multilevel fast multipole method (MLFMM) and boundary element method (BEM) can solve large scale photonics problems of arbitrary geometry. Here, MLFMM-BEM algorithm based on a scalar and vector potential formulation, instead of the more conventional electric and magnetic field formulations, is described. The method can deal with multiple lossy or lossless dielectric objects of arbitrary geometry, be they nested, in contact, or dispersed. Several examples are used to demonstrate that this method is able to efficiently handle 3D photonic scatterers involving large numbers of unknowns. Absorption, scattering, and extinction efficiencies of gold nanoparticle spheres, calculated by the MLFMM, are compared with Mie's theory. MLFMM calculations of the bistatic radar cross section (RCS) of a gold sphere near the plasmon resonance and of a silica coated gold sphere are also compared with Mie theory predictions. Finally, the bistatic RCS of a nanoparticle gold-silver heterodimer calculated with MLFMM is compared with unmodified BEM calculations.

Experimental and theoretical electron-scattering cross-section data for dichloromethane

NASA Astrophysics Data System (ADS)

Krupa, K.; Lange, E.; Blanco, F.; Barbosa, A. S.; Pastega, D. F.; Sanchez, S. d'A.; Bettega, M. H. F.; García, G.; Limão-Vieira, P.; Ferreira da Silva, F.

2018-04-01

We report on a combination of experimental and theoretical investigations into the elastic differential cross sections (DCSs) and integral cross sections for electron interactions with dichloromethane, C H2C l2 , in the incident electron energy over the 7.0-30 eV range. Elastic electron-scattering cross-section calculations have been performed within the framework of the Schwinger multichannel method implemented with pseudopotentials (SMCPP), and the independent-atom model with screening-corrected additivity rule including interference-effects correction (IAM-SCAR+I). The present elastic DCSs have been found to agree reasonably well with the results of IAM-SCAR+I calculations above 20 eV and also with the SMC calculations below 30 eV. Although some discrepancies were found for 7 eV, the agreement between the two theoretical methodologies is remarkable as the electron-impact energy increases. Calculated elastic DCSs are also reported up to 10000 eV for scattering angles from 0° to 180° together with total cross section within the IAM-SCAR+I framework.

Broadband ultraviolet reflectance filters for space applications.

NASA Technical Reports Server (NTRS)

Osantowski, J. F.; Toft, A. R.

1973-01-01

It is shown that a simple metal-dielectric-metal filter for broadband ultraviolet (BUV) reflectance control can provide a stable and effective means for reducing stray visible radiation in UV reflective optical systems. The application of such a filter in a BUV instrument resulted in a reduction of scattered visible light by at least an order of magnitude. The instrument has been in orbit for 2.5 year without loss of sensitivity or an increase in scattered light background.-

Development of a neural network technique for KSTAR Thomson scattering diagnostics

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

Lee, Seung Hun, E-mail: leesh81@nfri.re.kr; Lee, J. H.; Yamada, I.

Neural networks provide powerful approaches of dealing with nonlinear data and have been successfully applied to fusion plasma diagnostics and control systems. Controlling tokamak plasmas in real time is essential to measure the plasma parameters in situ. However, the χ{sup 2} method traditionally used in Thomson scattering diagnostics hampers real-time measurement due to the complexity of the calculations involved. In this study, we applied a neural network approach to Thomson scattering diagnostics in order to calculate the electron temperature, comparing the results to those obtained with the χ{sup 2} method. The best results were obtained for 10{sup 3} training cyclesmore » and eight nodes in the hidden layer. Our neural network approach shows good agreement with the χ{sup 2} method and performs the calculation twenty times faster.« less

Out-of-plane (e ,2 e ) measurements and calculations on He autoionizing levels as a function of incident-electron energy

NASA Astrophysics Data System (ADS)

Martin, N. L. S.; Weaver, C. M.; Kim, B. N.; deHarak, B. A.; Zatsarinny, O.; Bartschat, K.

2018-05-01

Out-of-scattering-plane (e ,2 e ) measurements and calculations are reported for the three singlet helium 2 ℓ 2 ℓ' autoionizing levels, with 80, 100, 120, 150, and 488 eV incident-electron energies, and scattering angles 60∘, 50 .8∘ , 45∘, 39 .2∘ , and 20 .5∘ , respectively. The kinematics are the same in all cases: the momentum transfer is K =2.1 a.u., and ejected electrons are detected in a plane that contains the momentum-transfer direction and is perpendicular to the scattering plane. The results are presented as (e ,2 e ) angular distributions energy integrated over each level. They are compared with fully nonperturbative B -spline R -matrix and hybrid second-order distorted-wave + R -matrix calculations.

SU-F-J-198: A Cross-Platform Adaptation of An a Priori Scatter Correction Algorithm for Cone-Beam Projections to Enable Image- and Dose-Guided Proton Therapy

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

Andersen, A; Casares-Magaz, O; Elstroem, U

Purpose: Cone-beam CT (CBCT) imaging may enable image- and dose-guided proton therapy, but is challenged by image artefacts. The aim of this study was to demonstrate the general applicability of a previously developed a priori scatter correction algorithm to allow CBCT-based proton dose calculations. Methods: The a priori scatter correction algorithm used a plan CT (pCT) and raw cone-beam projections acquired with the Varian On-Board Imager. The projections were initially corrected for bow-tie filtering and beam hardening and subsequently reconstructed using the Feldkamp-Davis-Kress algorithm (rawCBCT). The rawCBCTs were intensity normalised before a rigid and deformable registration were applied on themore » pCTs to the rawCBCTs. The resulting images were forward projected onto the same angles as the raw CB projections. The two projections were subtracted from each other, Gaussian and median filtered, and then subtracted from the raw projections and finally reconstructed to the scatter-corrected CBCTs. For evaluation, water equivalent path length (WEPL) maps (from anterior to posterior) were calculated on different reconstructions of three data sets (CB projections and pCT) of three parts of an Alderson phantom. Finally, single beam spot scanning proton plans (0–360 deg gantry angle in steps of 5 deg; using PyTRiP) treating a 5 cm central spherical target in the pCT were re-calculated on scatter-corrected CBCTs with identical targets. Results: The scatter-corrected CBCTs resulted in sub-mm mean WEPL differences relative to the rigid registration of the pCT for all three data sets. These differences were considerably smaller than what was achieved with the regular Varian CBCT reconstruction algorithm (1–9 mm mean WEPL differences). Target coverage in the re-calculated plans was generally improved using the scatter-corrected CBCTs compared to the Varian CBCT reconstruction. Conclusion: We have demonstrated the general applicability of a priori CBCT scatter correction, potentially opening for CBCT-based image/dose-guided proton therapy, including adaptive strategies. Research agreement with Varian Medical Systems, not connected to the present project.« less

Scattering from arbitrarily shaped microstrip patch antennas

NASA Technical Reports Server (NTRS)

Shively, David G.; Deshpande, Manohar D.; Cockrell, Capers R.

1992-01-01

The scattering properties of arbitrarily shaped microstrip patch antennas are examined. The electric field integral equation for a current element on a grounded dielectric slab is developed for a rectangular geometry based on Galerkin's technique with subdomain rooftop basis functions. A shape function is introduced that allows a rectangular grid approximation to the arbitrarily shaped patch. The incident field on the patch is expressed as a function of incidence angle theta(i), phi(i). The resulting system of equations is then solved for the unknown current modes on the patch, and the electromagnetic scattering is calculated for a given angle. Comparisons are made with other calculated results as well as with measurements.

Formulation of spin 7/2 and 9/2 nucleon resonance amplitudes for kaon photoproduction off a proton

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

Clymton, S., E-mail: samsonclymton@gmail.com; Mart, T.

2016-04-19

We have constructed the formulation of scattering amplitude for kaon photoproduction off a proton that includes nucleon resonances with spins 7/2 and 9/2. To this end we start with the formalism of projection operator for higher spins and derive the spins 7/2 and 9/2 projection operators. The corresponding Feynman propagators are obtained from these projection operators. To calculate the scattering amplitude we use the vertex factor proposed by Pascalutsa. The scattering amplitudes are then decomposed into six Lorentz- and gauge-invariant amplitudes, from which the cross section and polarization observables can be calculated.

An empirical model for calculation of the collimator contamination dose in therapeutic proton beams

NASA Astrophysics Data System (ADS)

Vidal, M.; De Marzi, L.; Szymanowski, H.; Guinement, L.; Nauraye, C.; Hierso, E.; Freud, N.; Ferrand, R.; François, P.; Sarrut, D.

2016-02-01

Collimators are used as lateral beam shaping devices in proton therapy with passive scattering beam lines. The dose contamination due to collimator scattering can be as high as 10% of the maximum dose and influences calculation of the output factor or monitor units (MU). To date, commercial treatment planning systems generally use a zero-thickness collimator approximation ignoring edge scattering in the aperture collimator and few analytical models have been proposed to take scattering effects into account, mainly limited to the inner collimator face component. The aim of this study was to characterize and model aperture contamination by means of a fast and accurate analytical model. The entrance face collimator scatter distribution was modeled as a 3D secondary dose source. Predicted dose contaminations were compared to measurements and Monte Carlo simulations. Measurements were performed on two different proton beam lines (a fixed horizontal beam line and a gantry beam line) with divergent apertures and for several field sizes and energies. Discrepancies between analytical algorithm dose prediction and measurements were decreased from 10% to 2% using the proposed model. Gamma-index (2%/1 mm) was respected for more than 90% of pixels. The proposed analytical algorithm increases the accuracy of analytical dose calculations with reasonable computation times.

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

Three-dimensional Monte-Carlo simulation of gamma-ray scattering and production in the atmosphere

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

Morris, D.J.

1989-05-15

Monte Carlo codes have been developed to simulate gamma-ray scattering and production in the atmosphere. The scattering code simulates interactions of low-energy gamma rays (20 to several hundred keV) from an astronomical point source in the atmosphere; a modified code also simulates scattering in a spacecraft. Four incident spectra, typical of gamma-ray bursts, solar flares, and the Crab pulsar, and 511 keV line radiation have been studied. These simulations are consistent with observations of solar flare radiation scattered from the atmosphere. The production code simulates the interactions of cosmic rays which produce high-energy (above 10 MeV) photons and electrons. Itmore » has been used to calculate gamma-ray and electron albedo intensities at Palestine, Texas and at the equator; the results agree with observations in most respects. With minor modifications this code can be used to calculate intensities of other high-energy particles. Both codes are fully three-dimensional, incorporating a curved atmosphere; the production code also incorporates the variation with both zenith and azimuth of the incident cosmic-ray intensity due to geomagnetic effects. These effects are clearly reflected in the calculated albedo by intensity contrasts between the horizon and nadir, and between the east and west horizons.« less

Relativistic impulse approximation analysis of unstable calcium isotopes: {sup 60-74}Ca

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

Kaki, K.

2009-06-15

Recent relativistic mean-field calculations have provided nuclear distributions of Ca isotopes whose mass numbers are 60 through 74. We calculate observables of proton elastic scattering from these unstable isotopes and discuss relations between observables and nuclear distributions of such unstable nuclei. The calculations are based on relativistic impulse approximation (RIA) at incident proton energies from 100 through 500 MeV where predictions of RIA have been shown to provide good agreement with experimental data. To validate the use of optimal factorization and first-order calculations at these energies, contributions from the Fermi motion of the target nuclei and multiple scattering are estimatedmore » and compared with results calculated without these effects.« less

Effect of second-order exchange in electron-hydrogen scattering

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

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

1990-05-07

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

Infrared backscattering

NASA Technical Reports Server (NTRS)

Bohren, Craig F.; Nevitt, Timothy J.; Singham, Shermila Brito

1989-01-01

All particles in the atmosphere are not spherical. Moreover, the scattering properties of randomly oriented nonspherical particles are not equivalent to those of spherical particles no matter how the term equivalent is defined. This is especially true for scattering in the backward direction and at the infrared wavelengths at which some atmospheric particles have strong absorption bands. Thus calculations based on Mie theory of infrared backscattering by dry or insoluble atmospheric particles are suspect. To support this assertion, it was noted that peaks in laboratory-measured infrared backscattering spectra show appreciable shifts compared with those calculated using Mie theory. One example is ammonium sulfate. Some success was had in modeling backscattering spectra of ammonium sulfate particles using a simple statistical theory called the continuous distribution of ellipsoids (CDE) theory. In this theory, the scattering properties of an ensemble are calculated. Recently a modified version of this theory was applied to measured spectra of scattering by kaolin particles. The particles were platelike, so the probability distribution of ellipsoidal shapes was chosen to reflect this. As with ammonium sulfate, the wavelength of measured peak backscattering is shifted longward of that predicted by Mie theory.

Variational treatment of electron-polyatomic-molecule scattering calculations using adaptive overset grids

NASA Astrophysics Data System (ADS)

Greenman, Loren; Lucchese, Robert R.; McCurdy, C. William

2017-11-01

The complex Kohn variational method for electron-polyatomic-molecule scattering is formulated using an overset-grid representation of the scattering wave function. The overset grid consists of a central grid and multiple dense atom-centered subgrids that allow the simultaneous spherical expansions of the wave function about multiple centers. Scattering boundary conditions are enforced by using a basis formed by the repeated application of the free-particle Green's function and potential Ĝ0+V ̂ on the overset grid in a Born-Arnoldi solution of the working equations. The theory is shown to be equivalent to a specific Padé approximant to the T matrix and has rapid convergence properties, in both the number of numerical basis functions employed and the number of partial waves employed in the spherical expansions. The method is demonstrated in calculations on methane and CF4 in the static-exchange approximation and compared in detail with calculations performed with the numerical Schwinger variational approach based on single-center expansions. An efficient procedure for operating with the free-particle Green's function and exchange operators (to which no approximation is made) is also described.

Computer program /P1-GAS/ calculates the P-0 and P-1 transfer matrices for neutron moderation in a monatomic gas

NASA Technical Reports Server (NTRS)

Collier, G.; Gibson, G.

1968-01-01

FORTRAN 4 program /P1-GAS/ calculates the P-O and P-1 transfer matrices for neutron moderation in a monatomic gas. The equations used are based on the conditions that there is isotropic scattering in the center-of-mass coordinate system, the scattering cross section is constant, and the target nuclear velocities satisfy a Maxwellian distribution.

Fast computation of high energy elastic collision scattering angle for electric propulsion plume simulation

NASA Astrophysics Data System (ADS)

Araki, Samuel J.

2016-11-01

In the plumes of Hall thrusters and ion thrusters, high energy ions experience elastic collisions with slow neutral atoms. These collisions involve a process of momentum exchange, altering the initial velocity vectors of the collision pair. In addition to the momentum exchange process, ions and atoms can exchange electrons, resulting in slow charge-exchange ions and fast atoms. In these simulations, it is particularly important to accurately perform computations of ion-atom elastic collisions in determining the plume current profile and assessing the integration of spacecraft components. The existing models are currently capable of accurate calculation but are not fast enough such that the calculation can be a bottleneck of plume simulations. This study investigates methods to accelerate an ion-atom elastic collision calculation that includes both momentum- and charge-exchange processes. The scattering angles are pre-computed through a classical approach with ab initio spin-orbit free potential and are stored in a two-dimensional array as functions of impact parameter and energy. When performing a collision calculation for an ion-atom pair, the scattering angle is computed by a table lookup and multiple linear interpolations, given the relative energy and randomly determined impact parameter. In order to further accelerate the calculations, the number of collision calculations is reduced by properly defining two cut-off cross-sections for the elastic scattering. In the MCC method, the target atom needs to be sampled; however, it is confirmed that initial target atom velocity does not play a significant role in typical electric propulsion plume simulations such that the sampling process is unnecessary. With these implementations, the computational run-time to perform a collision calculation is reduced significantly compared to previous methods, while retaining the accuracy of the high fidelity models.

A new shielding calculation method for X-ray computed tomography regarding scattered radiation.

PubMed

Watanabe, Hiroshi; Noto, Kimiya; Shohji, Tomokazu; Ogawa, Yasuyoshi; Fujibuchi, Toshioh; Yamaguchi, Ichiro; Hiraki, Hitoshi; Kida, Tetsuo; Sasanuma, Kazutoshi; Katsunuma, Yasushi; Nakano, Takurou; Horitsugi, Genki; Hosono, Makoto

2017-06-01

The goal of this study is to develop a more appropriate shielding calculation method for computed tomography (CT) in comparison with the Japanese conventional (JC) method and the National Council on Radiation Protection and Measurements (NCRP)-dose length product (DLP) method. Scattered dose distributions were measured in a CT room with 18 scanners (16 scanners in the case of the JC method) for one week during routine clinical use. The radiation doses were calculated for the same period using the JC and NCRP-DLP methods. The mean (NCRP-DLP-calculated dose)/(measured dose) ratios in each direction ranged from 1.7 ± 0.6 to 55 ± 24 (mean ± standard deviation). The NCRP-DLP method underestimated the dose at 3.4% in fewer shielding directions without the gantry and a subject, and the minimum (NCRP-DLP-calculated dose)/(measured dose) ratio was 0.6. The reduction factors were 0.036 ± 0.014 and 0.24 ± 0.061 for the gantry and couch directions, respectively. The (JC-calculated dose)/(measured dose) ratios ranged from 11 ± 8.7 to 404 ± 340. The air kerma scatter factor κ is expected to be twice as high as that calculated with the NCRP-DLP method and the reduction factors are expected to be 0.1 and 0.4 for the gantry and couch directions, respectively. We, therefore, propose a more appropriate method, the Japanese-DLP method, which resolves the issues of possible underestimation of the scattered radiation and overestimation of the reduction factors in the gantry and couch directions.

Calculation and Measurement of Low-Energy Radiative Moller Scattering

NASA Astrophysics Data System (ADS)

Epstein, Charles; DarkLight Collaboration

2017-09-01

A number of current nuclear physics experiments have come to rely on precise knowledge of electron-electron (Moller) and positron-electron (Bhabha) scattering. Some of these experiments, having lepton beams on targets containing atomic electrons, use these purely-QED processes as normalization. In other scenarios, with electron beams at low energy and very high intensity, Moller scattering and radiative Moller scattering have such enormous cross-sections that the backgrounds they produce must be understood. In this low-energy regime, the electron mass is also not negligible in the calculation of the cross section. This is important, for example, in the DarkLight experiment (100 MeV). As a result, we have developed a new event generator for the radiative Moller and Bhabha processes, with new calculations that keep all terms of the electron mass. The MIT High Voltage Research Laboratory provides us a unique opportunity to study this process experimentally and compare it with our work, at a low beam energy of 2.5 MeV where the effects of the electron mass are significant. We are preparing a dedicated apparatus consisting of a magnetic spectrometer in order to directly measure this process. An overview of the calculation and the status of the experiment will be presented.

Monte Carlo Calculation of Thermal Neutron Inelastic Scattering Cross Section Uncertainties by Sampling Perturbed Phonon Spectra

NASA Astrophysics Data System (ADS)

Holmes, Jesse Curtis

Nuclear data libraries provide fundamental reaction information required by nuclear system simulation codes. The inclusion of data covariances in these libraries allows the user to assess uncertainties in system response parameters as a function of uncertainties in the nuclear data. Formats and procedures are currently established for representing covariances for various types of reaction data in ENDF libraries. This covariance data is typically generated utilizing experimental measurements and empirical models, consistent with the method of parent data production. However, ENDF File 7 thermal neutron scattering library data is, by convention, produced theoretically through fundamental scattering physics model calculations. Currently, there is no published covariance data for ENDF File 7 thermal libraries. Furthermore, no accepted methodology exists for quantifying or representing uncertainty information associated with this thermal library data. The quality of thermal neutron inelastic scattering cross section data can be of high importance in reactor analysis and criticality safety applications. These cross sections depend on the material's structure and dynamics. The double-differential scattering law, S(alpha, beta), tabulated in ENDF File 7 libraries contains this information. For crystalline solids, S(alpha, beta) is primarily a function of the material's phonon density of states (DOS). Published ENDF File 7 libraries are commonly produced by calculation and processing codes, such as the LEAPR module of NJOY, which utilize the phonon DOS as the fundamental input for inelastic scattering calculations to directly output an S(alpha, beta) matrix. To determine covariances for the S(alpha, beta) data generated by this process, information about uncertainties in the DOS is required. The phonon DOS may be viewed as a probability density function of atomic vibrational energy states that exist in a material. Probable variation in the shape of this spectrum may be established that depends on uncertainties in the physics models and methodology employed to produce the DOS. Through Monte Carlo sampling of perturbations from the reference phonon spectrum, an S(alpha, beta) covariance matrix may be generated. In this work, density functional theory and lattice dynamics in the harmonic approximation are used to calculate the phonon DOS for hexagonal crystalline graphite. This form of graphite is used as an example material for the purpose of demonstrating procedures for analyzing, calculating and processing thermal neutron inelastic scattering uncertainty information. Several sources of uncertainty in thermal neutron inelastic scattering calculations are examined, including sources which cannot be directly characterized through a description of the phonon DOS uncertainty, and their impacts are evaluated. Covariances for hexagonal crystalline graphite S(alpha, beta) data are quantified by coupling the standard methodology of LEAPR with a Monte Carlo sampling process. The mechanics of efficiently representing and processing this covariance information is also examined. Finally, with appropriate sensitivity information, it is shown that an S(alpha, beta) covariance matrix can be propagated to generate covariance data for integrated cross sections, secondary energy distributions, and coupled energy-angle distributions. This approach enables a complete description of thermal neutron inelastic scattering cross section uncertainties which may be employed to improve the simulation of nuclear systems.

Scattering of ultrashort electromagnetic pulses on metal clusters

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

Astapenko, V. A., E-mail: astval@mail.ru; Sakhno, S. V.

We have calculated and analyzed the probability of ultrashort electromagnetic pulse (USP) scattering on small metal clusters in the frequency range of plasmon resonances during the field action. The main attention is devoted to dependence of the probability of scattering on the pulse duration for various detunings of the USP carrier frequency from the plasmon resonance frequency. Peculiarities of the USP scattering from plasmon resonances with various figures of merit are revealed.

Scattering of ultrashort electromagnetic pulses on metal clusters

NASA Astrophysics Data System (ADS)

Astapenko, V. A.; Sakhno, S. V.

2016-12-01

We have calculated and analyzed the probability of ultrashort electromagnetic pulse (USP) scattering on small metal clusters in the frequency range of plasmon resonances during the field action. The main attention is devoted to dependence of the probability of scattering on the pulse duration for various detunings of the USP carrier frequency from the plasmon resonance frequency. Peculiarities of the USP scattering from plasmon resonances with various figures of merit are revealed.

Application of theoretical models to active and passive remote sensing of saline ice

NASA Technical Reports Server (NTRS)

Han, H. C.; Kong, J. A.; Shin, R. T.; Nghiem, S. V.; Kwok, R.

1992-01-01

The random medium model is used to interpret the polarimetric active and passive measurements of saline ice. The ice layer is described as a host ice medium embedded with randomly distributed inhomogeneities, and the underlying sea water is considered as a homogeneous half-space. The scatterers in the ice layer are modeled with an ellipsoidal correlation function. The orientation of the scatterers is vertically aligned and azimuthally random. The strong permittivity fluctuation theory is used to calculate the effective permittivity and the distorted Born approximation is used to obtain the polarimetric scattering coefficients. Thermal emissions based on the reciprocity and energy conservation principles are calculated. The effects of the random roughness at the air-ice, and ice-water interfaces are explained by adding the surface scattering to the volume scattering return incoherently. The theoretical model, which has been successfully applied to analyze the radar backscatter data of first-year sea ice, is used to interpret the measurements performed in the Cold Regions Research and Engineering Laboratory's CRRELEX program.

Wide-field imaging through scattering media by scattered light fluorescence microscopy

NASA Astrophysics Data System (ADS)

Zhou, Yulan; Li, Xun

2017-08-01

To obtain images through scattering media, scattered light fluorescence (SLF) microscopy that utilizes the optical memory effect has been developed. However, the small field of view (FOV) of SLF microscopy limits its application. In this paper, we have introduced a re-modulation method to achieve wide-field imaging through scattering media by SLF microscopy. In the re-modulation method, to raster scan the focus across the object plane, the incident wavefront is re-modulated via a spatial light modulator (SLM) in the updated phase compensation calculated using the optimized iterative algorithm. Compared with the conventional optical memory effect method, the re-modulation method can greatly increase the FOV of a SLF microscope. With the phase compensation theoretically calculated, the process of updating the phase compensation of a high speed SLM is fast. The re-modulation method does not increase the imaging time. The re-modulation method is, therefore, expected to make SLF microscopy have much wider applications in biology, medicine and physiology.

Electron mobility of two-dimensional electron gas in InGaN heterostructures: Effects of alloy disorder and random dipole scatterings

NASA Astrophysics Data System (ADS)

Hoshino, Tomoki; Mori, Nobuya

2018-04-01

InGaN has a smaller electron effective mass and is expected to be used as a channel material for high-electron-mobility transistors. However, it is an alloy semiconductor with a random distribution of atoms, which introduces additional scattering mechanisms: alloy disorder and random dipole scatterings. In this work, we calculate the electron mobility in InGaN- and GaN-channel high-electron-mobility transistors (HEMTs) while taking into account acoustic deformation potential, polar optical phonon, alloy disorder, and random dipole scatterings. For InGaN-channel HEMTs, we find that not only alloy disorder but also random dipole scattering has a strong impact on the electron mobility and it significantly decreases as the In mole fraction of the channel increases. Our calculation also shows that the channel thickness w dependence of the mobility is rather weak when w > 1 nm for In0.1Ga0.9N-channel HEMTs.

Extended bidirectional reflectance distribution function for polarized light scattering from subsurface defects under a smooth surface.

PubMed

Shen, Jian; Deng, Degang; Kong, Weijin; Liu, Shijie; Shen, Zicai; Wei, Chaoyang; He, Hongbo; Shao, Jianda; Fan, Zhengxiu

2006-11-01

By introducing the scattering probability of a subsurface defect (SSD) and statistical distribution functions of SSD radius, refractive index, and position, we derive an extended bidirectional reflectance distribution function (BRDF) from the Jones scattering matrix. This function is applicable to the calculation for comparison with measurement of polarized light-scattering resulting from a SSD. A numerical calculation of the extended BRDF for the case of p-polarized incident light was performed by means of the Monte Carlo method. Our numerical results indicate that the extended BRDF strongly depends on the light incidence angle, the light scattering angle, and the out-of-plane azimuth angle. We observe a 180 degrees symmetry with respect to the azimuth angle. We further investigate the influence of the SSD density, the substrate refractive index, and the statistical distributions of the SSD radius and refractive index on the extended BRDF. For transparent substrates, we also find the dependence of the extended BRDF on the SSD positions.

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

Resonance Scattering of Fe XVII X-ray and EUV Lines

NASA Technical Reports Server (NTRS)

Bhatia, A. K.; Saba, J. L. R.; Fisher, Richard R. (Technical Monitor)

2001-01-01

Over the years a number of calculations have been carried out to derive intensities of various X-ray and EUV lines in Fe XVII to compare with observed spectra. The predicted intensities have not agreed with solar observations, particularly for the line at 1.5.02 Angstroms; resonance scattering has been suggested as the source for much of the disagreement. The atomic data calculated earlier used seven configurations having n=3 orbitals and the scattering calculations were carried out only for incident energies above the threshold of the highest fine-structure level. These calculations have now been extended to thirteen configurations having n=4 orbitals and the scattering calculations are carried out below as well as above the threshold of the highest fine structure level. These improved calculations of Fe XVII change the intensity ratios compared to those obtained earlier, bringing the optically thin F(15.02)/F(16.78) ratio and several other ratios closer to the observed values. However, some disagreement with the solar observations still persists, even thought the agreement of the presently calculated optically thin F(15.02)/F(15.26) ratio with the experimental results of Brown et al. (1998) and Laming et al. (2000) has improved. Some of the remaining discrepancy is still thought to be the effect of opacity, which is consistent with expected physical conditions for solar sources. EUV intensity ratios are also calculated and compared with observations. Level populations and intensity ratios are calculated, as a function of column density of Fe XVII, in the slab and cylindrical geometries. As found previously, the predicted intensities for the resonance lines at 15.02 and 15.26 Angstroms exhibit initial increases in flux relative to the forbidden line at 17.10 Angstroms and the resonance line at 16.78 Angstroms as optical thickness increases. The same behavior is predicted for the lines at 12.262 and 12.122 Angstroms. Predicted intensities for some of the allowed EUV lines are also affected by opacity.

Phase Distribution and Selection of Partially Correlated Persistent Scatterers

NASA Astrophysics Data System (ADS)

Lien, J.; Zebker, H. A.

2012-12-01

Interferometric synthetic aperture radar (InSAR) time-series methods can effectively estimate temporal surface changes induced by geophysical phenomena. However, such methods are susceptible to decorrelation due to spatial and temporal baselines (radar pass separation), changes in orbital geometries, atmosphere, and noise. These effects limit the number of interferograms that can be used for differential analysis and obscure the deformation signal. InSAR decorrelation effects may be ameliorated by exploiting pixels that exhibit phase stability across the stack of interferograms. These so-called persistent scatterer (PS) pixels are dominated by a single point-like scatterer that remains phase-stable over the spatial and temporal baseline. By identifying a network of PS pixels for use in phase unwrapping, reliable deformation measurements may be obtained even in areas of low correlation, where traditional InSAR techniques fail to produce useful observations. Many additional pixels can be added to the PS list if we are able to identify those in which a dominant scatterer exhibits partial, rather than complete, correlation across all radar scenes. In this work, we quantify and exploit the phase stability of partially correlated PS pixels. We present a new system model for producing interferometric pixel values from a complex surface backscatter function characterized by signal-to-clutter ratio (SCR). From this model, we derive the joint probabilistic distribution for PS pixel phases in a stack of interferograms as a function of SCR and spatial baselines. This PS phase distribution generalizes previous results that assume the clutter phase contribution is uncorrelated between radar passes. We verify the analytic distribution through a series of radar scattering simulations. We use the derived joint PS phase distribution with maximum-likelihood SCR estimation to analyze an area of the Hayward Fault Zone in the San Francisco Bay Area. We obtain a series of 38 interferometric images of the area from C-band ERS radar satellite passes between May 1995 and December 2000. We compare the estimated SCRs to those calculated with previously derived PS phase distributions. Finally, we examine the PS network density resulting from varying selection thresholds of SCR and compare to other PS identification techniques.

Development of New Methods for Predicting the Bistatic Electromagnetic Scattering from Absorbing Shapes

DTIC Science & Technology

1990-01-01

least-squares sense by adding a penalty term proportional to the square of the divergence to the variational principle At the start of this project... principle required for stable solutions of the electromagnetic field: It must be possible to express the basis functions used in the finite element method as... principle to derive several different methods for computing stable solutions to electromagnetic field problems. To understand above principle , notice that

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

Differential quantitative proteomics of Porphyromonas gingivalis by linear ion trap mass spectrometry: non-label methods comparison, q-values and LOWESS curve fitting

PubMed Central

Xia, Qiangwei; Wang, Tiansong; Park, Yoonsuk; Lamont, Richard J.; Hackett, Murray

2009-01-01

Differential analysis of whole cell proteomes by mass spectrometry has largely been applied using various forms of stable isotope labeling. While metabolic stable isotope labeling has been the method of choice, it is often not possible to apply such an approach. Four different label free ways of calculating expression ratios in a classic “two-state” experiment are compared: signal intensity at the peptide level, signal intensity at the protein level, spectral counting at the peptide level, and spectral counting at the protein level. The quantitative data were mined from a dataset of 1245 qualitatively identified proteins, about 56% of the protein encoding open reading frames from Porphyromonas gingivalis, a Gram-negative intracellular pathogen being studied under extracellular and intracellular conditions. Two different control populations were compared against P. gingivalis internalized within a model human target cell line. The q-value statistic, a measure of false discovery rate previously applied to transcription microarrays, was applied to proteomics data. For spectral counting, the most logically consistent estimate of random error came from applying the locally weighted scatter plot smoothing procedure (LOWESS) to the most extreme ratios generated from a control technical replicate, thus setting upper and lower bounds for the region of experimentally observed random error. PMID:19337574

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.

Investigation of the effect of scattering centers on low dimensional nanowire channel

NASA Astrophysics Data System (ADS)

Cariappa, K. S.; Shukla, Raja; Sarkar, Niladri

2018-05-01

In this work, we studied the effect of scattering centers on the electron density profiles of a one dimensional Nanowire channel. Density Matrix Formalism is used for calculating the local electron densities at room temperature. Various scattering centers have been simulated in the channel. The nearest neighbor tight binding method is applied to construct the Hamiltonian of nanoscale devices. We invoke scattering centers by adding local scattering potentials to the Hamiltonian. This analysis could give an insight into the understanding and utilization of defects for device engineering.

Quasi-elastic nuclear scattering at high energies

NASA Technical Reports Server (NTRS)

Cucinotta, Francis A.; Townsend, Lawrence W.; Wilson, John W.

1992-01-01

The quasi-elastic scattering of two nuclei is considered in the high-energy optical model. Energy loss and momentum transfer spectra for projectile ions are evaluated in terms of an inelastic multiple-scattering series corresponding to multiple knockout of target nucleons. The leading-order correction to the coherent projectile approximation is evaluated. Calculations are compared with experiments.

Structure of alcohol cluster ions in the gas phase, according to spectrometry and ab initio calculations

NASA Astrophysics Data System (ADS)

Krisilov, A. V.; Lantsuzskaya, E. V.; Levina, A. M.

2017-01-01

Reduced ion mobility and scattering cross sections are calculated from experimentally obtained spectra of the ion mobility of linear aliphatic alcohols with carbon atom numbers from 2 to 9. A linear increase in the scattering cross sections as the molecular weight grows is found. According to the results from experiments and quantum chemical calculations, alcohol cluster ions do not form a compact structure. Neither are dipole moments compensated for during dimerization, in contrast to the aldehydes and ketones described earlier. It was concluded from ab initio calculations that charge delocalization in monomeric and dimeric ions of alcohols increases the dipole moment many times over.

Dynamic light scattering study on vesicles of Netaine-Cholesterol system

NASA Astrophysics Data System (ADS)

Alenaizi, R.; Radiman, S.; Mohamed, F.; Rahman, I. Abdul

2014-09-01

The morphology of vesicles system with defined particle size and shape is one of interest in our technical applications. Here we have used dynamic light scattering technique and transmission electron microscopy for structural characterization of N-dimethylglycine Betaine with 5-cholesten-3β-ol vesicles in aqueous solutions. An isotropic one phase region is found in the very diluted regions depending on Betaine/Cholesterol ratio. The isotropic region was stable for more than 3 months at room temperature, with monodispersed unilamellar vesicles ˜ 300nm.

Silver vanadate nanoribbons: A label-free bioindicator in the conversion between human serum transferrin and apotransferrin via surface-enhanced Raman scattering

NASA Astrophysics Data System (ADS)

Zhou, Qing; Shao, Mingwang; Que, Ronghui; Cheng, Liang; Zhuo, Shujuan; Tong, Yanhua; Lee, Shuit-Tong

2011-05-01

Silver vanadate nanoribbons were synthesized via a hydrothermal process, which exhibited surface-enhanced Raman scattering effect. This surface-enhanced substrate was stable and reproducible for identifying human serum transferrin and human serum apotransferrin in the concentration of 1×10-5 M, which further exhibited significant sensitivity in monitoring the conversion of these two proteins in turn. This result showed that the silver vanadate nanoribbon might be employed as biomonitor in such systems.

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

The threshold sensitivity of the molecular condensation nuclei detector

NASA Astrophysics Data System (ADS)

Kuptsov, Vladimir D.; Katelevsky, Vadim Y.; Valyukhov, Vladimir P.

2015-05-01

Molecular condensation nuclei (MCN) method is used in production engineering and process monitoring and relates to optical metrology methods of measuring the concentrations of various contaminants in the environment. Ultra high sensitivity of MCN method to a class of substances is determined by measuring the optical scattering aerosol particles, at the centers of which are located the detectable impurities molecules. This article investigates the influence of MCN manifestations coefficient (ratio of the concentration of aerosol particles to the concentration of molecules detectable impurities) on the sensitivity of the MCN detector. The MCN method is based on the application of various physicochemical processes to the flow of a gas containing impurities. As a result of these processes aerosol particle that are about 106 times larger than the original molecule of the impurity are produced. The ability of the aerosol particle to scatter incident light also increases ~1014 ÷1016 times compared with the original molecule and the aerosol particle with the molecule of the impurity in the center is easily detected by light scattering inside a photometer. By measuring of the light scattering intensity is determined concentration of chemical impurities in the air. An application nephelometric optical metrology scheme of light scattering by aerosol particles ensures stable operation of reliable and flexible measuring systems. Light scattering by aerosol particles is calculated on the basis of the Mie's theory as aerosol particle sizes comparable to the wavelength of the optical radiation. The experimental results are shown for detectable impurities of metal carbonyls. Gas analyzers based on the MCN method find application in industries with the possibility of highly toxic emissions into the atmosphere (carbonyl technology of metal coatings and products, destruction of chemical weapons, etc.), during storage and transportation of toxic substances, as well as in the inspection of large-scale objects. There are some perspective areas of use MCN detector: prevention of illegal use of dangerous substances, revealing of their origin and leakage paths by means of marking with special non-radioactive chemical compounds; investigation of large-scale atmospheric circulation with the help of marking substances; nondestructive inspection for highly efficient filters with indicating agent concentration and for the inspection of the devices of high level tightness (heat-exchangers of fast nuclear reactors).

The scattering of low energy positrons by helium

NASA Technical Reports Server (NTRS)

Humberston, J. W.

1973-01-01

Kohn's variational method is used to calculate the positron-helium scattering length and low energy S-wave phase shifts for a quite realistic Hylleraas type of helium function containing an electron-electron correlation term. The zero energy wavefunction is used to calculate the value of the annihilation rate parameter Z sub eff. All the results are significantly different from those for Drachman's helium model B, but are in better agreement with the available experimental data.

EXCITATION OF LEVELS IN Li$sup 7$ BY INELASTIC ELECTRON SCATTERING

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

Bernheim, M; Bishop, G R

1963-07-15

Cross sections for the excitation of some levels in Li/sup 7/ up to 8- Mev excitation energy were measured by the iiielastic scattering of electrons for a variety of incident electron energies and scatiering angles. The cross section calculated in first Dorn approximation is expected to be valid for this nucleus. The calculated angular distribution is given for different spin and parity and for different levels of excitation. (R.E.U.)

Comparison of exact solution with Eikonal approximation for elastic heavy ion scattering

NASA Technical Reports Server (NTRS)

Dubey, Rajendra R.; Khandelwal, Govind S.; Cucinotta, Francis A.; Maung, Khin Maung

1995-01-01

A first-order optical potential is used to calculate the total and absorption cross sections for nucleus-nucleus scattering. The differential cross section is calculated by using a partial-wave expansion of the Lippmann-Schwinger equation in momentum space. The results are compared with solutions in the Eikonal approximation for the equivalent potential and with experimental data in the energy range from 25A to 1000A MeV.

UB Matrix Implementation for Inelastic Neutron Scattering Experiments

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

Lumsden, Mark D; Robertson, Lee; Yethiraj, Mohana

The UB matrix approach has been extended to handle inelastic neutron scattering experiments with differing k{sub i} and k{sub f}. We have considered the typical goniometer employed on triple-axis and time-of-flight spectrometers. Expressions are derived to allow for calculation of the UB matrix and for converting from observables to Q-energy space. In addition, we have developed appropriate modes for calculation of angles for a specified Q-energy position.

Electromagnetic scattering by impedance structures

NASA Technical Reports Server (NTRS)

Balanis, Constantine A.; Griesser, Timothy

1987-01-01

The scattering of electromagnetic waves from impedance structures is investigated, and current work on antenna pattern calculation is presented. A general algorithm for determining radiation patterns from antennas mounted near or on polygonal plates is presented. These plates are assumed to be of a material which satisfies the Leontovich (or surface impedance) boundary condition. Calculated patterns including reflection and diffraction terms are presented for numerious geometries, and refinements are included for antennas mounted directly on impedance surfaces. For the case of a monopole mounted on a surface impedance ground plane, computed patterns are compared with experimental measurements. This work in antenna pattern prediction forms the basis of understanding of the complex scattering mechanisms from impedance surfaces. It provides the foundation for the analysis of backscattering patterns which, in general, are more problematic than calculation of antenna patterns. Further proposed study of related topics, including surface waves, corner diffractions, and multiple diffractions, is outlined.

GPU acceleration of the Locally Selfconsistent Multiple Scattering code for first principles calculation of the ground state and statistical physics of materials

NASA Astrophysics Data System (ADS)

Eisenbach, Markus; Larkin, Jeff; Lutjens, Justin; Rennich, Steven; Rogers, James H.

2017-02-01

The Locally Self-consistent Multiple Scattering (LSMS) code solves the first principles Density Functional theory Kohn-Sham equation for a wide range of materials with a special focus on metals, alloys and metallic nano-structures. It has traditionally exhibited near perfect scalability on massively parallel high performance computer architectures. We present our efforts to exploit GPUs to accelerate the LSMS code to enable first principles calculations of O(100,000) atoms and statistical physics sampling of finite temperature properties. We reimplement the scattering matrix calculation for GPUs with a block matrix inversion algorithm that only uses accelerator memory. Using the Cray XK7 system Titan at the Oak Ridge Leadership Computing Facility we achieve a sustained performance of 14.5PFlop/s and a speedup of 8.6 compared to the CPU only code.

Time resolved small angle X-ray scattering experiments performed on detonating explosives at the advanced photon source: Calculation of the time and distance between the detonation front and the x-ray beam

DOE PAGES

Gustavsen, Richard L.; Dattelbaum, Dana Mcgraw; Watkins, Erik Benjamin; ...

2017-03-10

Time resolved Small Angle X-ray Scattering (SAXS) experiments on detonating explosives have been conducted at Argonne National Laboratory's Advanced Photon Source Dynamic Compression Sector. The purpose of the experiments is to measure the SAXS patterns at tens of ns to a few μs behind the detonation front. Corresponding positions behind the detonation front are of order 0.1–10 mm. From the scattering patterns, properties of the explosive products relative to the time behind the detonation front can be inferred. Lastly, this report describes how the time and distance from the x-ray probe location to the detonation front is calculated, as wellmore » as the uncertainties and sources of uncertainty associated with the calculated times and distances.« less

GPU acceleration of the Locally Selfconsistent Multiple Scattering code for first principles calculation of the ground state and statistical physics of materials

DOE PAGES

Eisenbach, Markus; Larkin, Jeff; Lutjens, Justin; ...

2016-07-12

The Locally Self-consistent Multiple Scattering (LSMS) code solves the first principles Density Functional theory Kohn–Sham equation for a wide range of materials with a special focus on metals, alloys and metallic nano-structures. It has traditionally exhibited near perfect scalability on massively parallel high performance computer architectures. In this paper, we present our efforts to exploit GPUs to accelerate the LSMS code to enable first principles calculations of O(100,000) atoms and statistical physics sampling of finite temperature properties. We reimplement the scattering matrix calculation for GPUs with a block matrix inversion algorithm that only uses accelerator memory. Finally, using the Craymore » XK7 system Titan at the Oak Ridge Leadership Computing Facility we achieve a sustained performance of 14.5PFlop/s and a speedup of 8.6 compared to the CPU only code.« less

Calculation of Scattering Amplitude Without Partial Analysis. II; Inclusion of Exchange

NASA Technical Reports Server (NTRS)

Temkin, Aaron; Shertzer, J.; Fisher, Richard R. (Technical Monitor)

2002-01-01

There was a method for calculating the whole scattering amplitude, f(Omega(sub k)), directly. The idea was to calculate the complete wave function Psi numerically, and use it in an integral expression for f, which can be reduced to a 2 dimensional quadrature. The original application was for e-H scattering without exchange. There the Schrodinger reduces a 2-d partial differential equation (pde), which was solved using the finite element method (FEM). Here we extend the method to the exchange approximation. The S.E. can be reduced to a pair of coupled pde's, which are again solved by the FEM. The formal expression for f(Omega(sub k)) consists two integrals, f+/- = f(sub d) +/- f(sub e); f(sub d) is formally the same integral as the no-exchange f. We have also succeeded in reducing f(sub e) to a 2-d integral. Results will be presented at the meeting.

Ab Initio Calculation of Photoionization and Inelastic Photon Scattering Spectra of He below the N=2 Threshold in a dc Electric Field

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

Mihelic, Andrej; Zitnik, Matjaz

2007-06-15

We study the Stark effect on doubly excited states of the helium atom below N=2. We present the ab initio photoionization and total inelastic photon scattering cross sections calculated with the method of complex scaling for field strengths F{<=}100 kV/cm. The calculations are compared to the measurements of the ion [Phys. Rev. Lett. 90, 133002 (2003)] and vacuum ultraviolet fluorescence yields [Phys. Rev. Lett. 96, 093001 (2006)]. For the case of photoionization and for incident photons with polarization vector P parallel to the electric field F, we confirm the propensity rule proposed by Tong and Lin [Phys. Rev. Lett. 92,more » 223003 (2004)]. Furthermore, the rule is also shown to apply for F perpendicular P and for the case of the inelastic scattering in both experimental geometries.« less

Graviton multipoint amplitudes for higher-derivative gravity in anti-de Sitter space

NASA Astrophysics Data System (ADS)

Shawa, M. M. W.; Medved, A. J. M.

2018-04-01

We calculate graviton multipoint amplitudes in an anti-de Sitter black brane background for higher-derivative gravity of arbitrary order in numbers of derivatives. The calculations are performed using tensor graviton modes in a particular regime of comparatively high energies and large scattering angles. The regime simplifies the calculations but, at the same time, is well suited for translating these results into the language of the dually related gauge theory. After considering theories whose Lagrangians consist of contractions of up to four Riemann tensors, we generalize to even higher-derivative theories by constructing a "basis" for the relevant scattering amplitudes. This construction enables one to find the basic form of the n -point amplitude for arbitrary n and any number of derivatives. Additionally, using the four-point amplitudes for theories whose Lagrangians carry contractions of either three or four Riemann tensors, we reexpress the scattering properties in terms of the Mandelstam variables.

Time resolved small angle X-ray scattering experiments performed on detonating explosives at the advanced photon source: Calculation of the time and distance between the detonation front and the x-ray beam

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

Gustavsen, Richard L.; Dattelbaum, Dana Mcgraw; Watkins, Erik Benjamin

Time resolved Small Angle X-ray Scattering (SAXS) experiments on detonating explosives have been conducted at Argonne National Laboratory's Advanced Photon Source Dynamic Compression Sector. The purpose of the experiments is to measure the SAXS patterns at tens of ns to a few μs behind the detonation front. Corresponding positions behind the detonation front are of order 0.1–10 mm. From the scattering patterns, properties of the explosive products relative to the time behind the detonation front can be inferred. Lastly, this report describes how the time and distance from the x-ray probe location to the detonation front is calculated, as wellmore » as the uncertainties and sources of uncertainty associated with the calculated times and distances.« less

Point-spread imaging for measurement of skin translucency and scattering.

PubMed

Jiang, Zhi-xing; Kaplan, Peter D

2008-08-01

The translucency of skin has long been identified as an important cue for healthy and youthful looking skin. There is currently no universal definition for skin translucency let alone a measurement method. We propose that skin translucency is the light scattering beneath skin surface. We demonstrate the use of polarization gated point spreading imaging for non-invasive, in vivo measurement of the translucency and the reduced scattering coefficient m's of skin. We developed a polarization-gated point-spread imaging system to measure the spread of the incident pencil-thin laser beam on the skin. Skin translucency was calculated as the spread of the laser beam. From the measurement of the shift of the light diffuse center from the light injection point, the reduced scattering coefficient m's of the skin was calculated. We validated the measurement technique with milk as an in vitro model for skin. The measured m's of milk solution was found to be linearly proportional to the milk concentration, in agreement with Beer's law. The calculated translucency decreased as the milk concentration increased or as the reduced scattering coefficient m's increased. It was also found that the translucency decreased as the absorption coefficient of the milk solution increased. The measured translucency of a set of custom made clay tiles correlated well with the consumer perception of the incremental ranking of the translucency. In vivo measurement of skin translucency and the reduced scattering coefficient m's were carried out on several volunteers. The measured reduced scattering coefficient m's was in agreement with those in the literature. The measured skin translucency for different skin ethnicities of Caucasian, North Asian, South Asian and African American were in line with the expectation that skin translucency decreases as the skin color gets darker.

Wave multiple scattering by a finite number of unclosed circular cylinders

NASA Technical Reports Server (NTRS)

Veliyev, E. I.; Veremey, V. V.

1984-01-01

The boundary value problem of plane H-polarized electromagnetic wave multiple scattering by a finite number of unclosed circular cylinders is solved. The solution is obtained by two different methods: the method of successive scattering and the method of partial matrix inversion for simultaneous dual equations. The advantages of the successive scattering method are shown. Computer calculations of the suface currents and the total cross section are presented for the structure of two screens.

Some preliminary calculations of whole atom Compton scattering of unpolarized photons

NASA Astrophysics Data System (ADS)

Bergstrom, P. M.; Surić, T.; Pisk, K.; Pratt, R. H.

1992-07-01

This paper represents a preliminary attempt to develop a practical prescription for calculating whole atom cross sections for the Compton scattering of unpolarized photons from the bound electrons of an atom for the entire spectrum of scattered photon energies. We initially study the scattering of 2.94 keV photons from carbon. We make use of our new second order S-matrix computer code in this case to verify that, when our recently developed criterion for the validity of the relativistic impulse approximation (which concerns the average momentum contributing to the photon spectrum ( pav)) is satisfied, the spectrum is adequately described by the impulse approximation. This criterion is generally satisfied in the peak intensity region for scattering by the outer shells, which dominate at these scattered photon energies. For soft scattered photons, however, the spectrum, dominated by K shell contributions, is given by terms corresponding to the contribution of the " p· A" term in the nonrelativistic interaction Hamiltonian, not included in the impulse approximation. Here, the spectrum is adequately reproduced by the K shell contribution. We then consider scattering of 17.4 keV photons from aluminum and 279.1 keV photons from lead. In these cases we use the S-matrix for the K shell and the impulse approximation for the outer shells, and find good agreement with experiment.

Surfactant induced stabilization of nano liquid crystalline (dodecane-phytantriol) droplet

NASA Astrophysics Data System (ADS)

Abbas, S.; Saha, Debasish; Kumar, Sugam; Aswal, V. K.; Kohlbrecher, J.

2018-04-01

The study of formation and stabilization of dodecane-phytantriol (DPT) microemulsions using ionic and nonionic surfactants are investigated. Small Angle Neutron Scattering (SANS) and Dynamic Light Scattering (DLS) techniques have been employed to study the resulting structures of the micro emulsion droplets. We show the formation of stable microemulsion droplets with absence of lyotropic liquid crystalline phase on addition of nonionic surfactant C12E10. The oil to surfactant ratio plays the crucial role in formation of stable droplet and its size. The dense presence of C12E10 molecules between microemulsion droplets protect them from coalescence while less number of C12E10 between the surface of droplets easily triggers the coalescence process. The interaction with both anionic (SDS) as well as cationic (DTAB) surfactants with DPT phase leads to formation of microemulsion droplets with lyotropic liquid crystalline phase.

Structural dissection of human metapneumovirus phosphoprotein using small angle x-ray scattering.

PubMed

Renner, Max; Paesen, Guido C; Grison, Claire M; Granier, Sébastien; Grimes, Jonathan M; Leyrat, Cédric

2017-11-01

The phosphoprotein (P) is the main and essential cofactor of the RNA polymerase (L) of non-segmented, negative-strand RNA viruses. P positions the viral polymerase onto its nucleoprotein-RNA template and acts as a chaperone of the nucleoprotein (N), thereby preventing nonspecific encapsidation of cellular RNAs. The phosphoprotein of human metapneumovirus (HMPV) forms homotetramers composed of a stable oligomerization domain (P core ) flanked by large intrinsically disordered regions (IDRs). Here we combined x-ray crystallography of P core with small angle x-ray scattering (SAXS)-based ensemble modeling of the full-length P protein and several of its fragments to provide a structural description of P that captures its dynamic character, and highlights the presence of varyingly stable structural elements within the IDRs. We discuss the implications of the structural properties of HMPV P for the assembly and functioning of the viral transcription/replication machinery.

Satellite measurements of large-scale air pollution - Methods

NASA Technical Reports Server (NTRS)

Kaufman, Yoram J.; Ferrare, Richard A.; Fraser, Robert S.

1990-01-01

A technique for deriving large-scale pollution parameters from NIR and visible satellite remote-sensing images obtained over land or water is described and demonstrated on AVHRR images. The method is based on comparison of the upward radiances on clear and hazy days and permits simultaneous determination of aerosol optical thickness with error Delta tau(a) = 0.08-0.15, particle size with error + or - 100-200 nm, and single-scattering albedo with error + or - 0.03 (for albedos near 1), all assuming accurate and stable satellite calibration and stable surface reflectance between the clear and hazy days. In the analysis of AVHRR images of smoke from a forest fire, good agreement was obtained between satellite and ground-based (sun-photometer) measurements of aerosol optical thickness, but the satellite particle sizes were systematically greater than those measured from the ground. The AVHRR single-scattering albedo agreed well with a Landsat albedo for the same smoke.

Ab initio phonon point defect scattering and thermal transport in graphene

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

Polanco, Carlos A.; Lindsay, Lucas R.

Here, we study the scattering of phonons from point defects and their effect on lattice thermal conductivity κ using a parameter-free ab initio Green's function methodology. Specifically, we focus on the scattering of phonons by boron (B), nitrogen (N), and phosphorus substitutions as well as single- and double-carbon vacancies in graphene. We show that changes of the atomic structure and harmonic interatomic force constants locally near defects govern the strength and frequency trends of the scattering of out-of-plane acoustic (ZA) phonons, the dominant heat carriers in graphene. ZA scattering rates due to N substitutions are nearly an order of magnitudemore » smaller than those for B defects despite having similar mass perturbations. Furthermore, ZA phonon scattering rates from N defects decrease with increasing frequency in the lower-frequency spectrum in stark contrast to expected trends from simple models. ZA phonon-vacancy scattering rates are found to have a significantly softer frequency dependence (~ω 0) in graphene than typically employed in phenomenological models. The rigorous Green's function calculations demonstrate that typical mass-defect models do not adequately describe ZA phonon-defect scattering rates. Our ab initio calculations capture well the trend of κ vs vacancy density from experiments, though not the magnitudes. In conclusion, this work elucidates important insights into phonon-defect scattering and thermal transport in graphene, and demonstrates the applicability of first-principles methods toward describing these properties in imperfect materials.« less

Four-phonon scattering reduces intrinsic thermal conductivity of graphene and the contributions from flexural phonons

NASA Astrophysics Data System (ADS)

Feng, Tianli; Ruan, Xiulin

2018-01-01

We have developed a formalism of the exact solution to linearized phonon Boltzmann transport equation (BTE) for thermal conductivity calculation including three- and four-phonon scattering. We find strikingly high four-phonon scattering rates in single-layer graphene (SLG) based on the optimized Tersoff potential. The reflection symmetry in graphene, which forbids the three-ZA (out-of-plane acoustic) scattering, allows the four-ZA processes ZA +ZA ⇌ZA +ZA and ZA ⇌ZA +ZA + ZA. As a result, the large phonon population of the low-energy ZA branch originated from the quadratic phonon dispersion leads to high four-phonon scattering rates, even much higher than the three-phonon scattering rates at room temperature. These four-phonon processes are dominated by the normal processes, which lead to a failure of the single mode relaxation time approximation. Therefore, we have solved the exact phonon BTE using an iterative scheme and then calculated the length- and temperature-dependent thermal conductivities. We find that the predicted thermal conductivity of SLG is lower than the previously predicted value from the three-phonon scattering only. The relative contribution of the ZA branch is reduced from 70% to 30% when four-phonon scattering is included. Furthermore, we have demonstrated that the four-phonon scattering in multilayer graphene and graphite is not strong due to the ZA splitting by interlayer van der Waals interaction. We also demonstrate that the five-phonon process in SLG is not strong due to the restriction of reflection symmetry.

Ab initio phonon point defect scattering and thermal transport in graphene

DOE PAGES

Polanco, Carlos A.; Lindsay, Lucas R.

2018-01-04

Here, we study the scattering of phonons from point defects and their effect on lattice thermal conductivity κ using a parameter-free ab initio Green's function methodology. Specifically, we focus on the scattering of phonons by boron (B), nitrogen (N), and phosphorus substitutions as well as single- and double-carbon vacancies in graphene. We show that changes of the atomic structure and harmonic interatomic force constants locally near defects govern the strength and frequency trends of the scattering of out-of-plane acoustic (ZA) phonons, the dominant heat carriers in graphene. ZA scattering rates due to N substitutions are nearly an order of magnitudemore » smaller than those for B defects despite having similar mass perturbations. Furthermore, ZA phonon scattering rates from N defects decrease with increasing frequency in the lower-frequency spectrum in stark contrast to expected trends from simple models. ZA phonon-vacancy scattering rates are found to have a significantly softer frequency dependence (~ω 0) in graphene than typically employed in phenomenological models. The rigorous Green's function calculations demonstrate that typical mass-defect models do not adequately describe ZA phonon-defect scattering rates. Our ab initio calculations capture well the trend of κ vs vacancy density from experiments, though not the magnitudes. In conclusion, this work elucidates important insights into phonon-defect scattering and thermal transport in graphene, and demonstrates the applicability of first-principles methods toward describing these properties in imperfect materials.« less

A Monte Carlo study of the energy spectra and transmission characteristics of scattered radiation from x-ray computed tomography.

PubMed

Platten, David John

2014-06-01

Existing data used to calculate the barrier transmission of scattered radiation from computed tomography (CT) are based on primary beam CT energy spectra. This study uses the EGSnrc Monte Carlo system and Epp user code to determine the energy spectra of CT scatter from four different primary CT beams passing through an ICRP 110 male reference phantom. Each scatter spectrum was used as a broad-beam x-ray source in transmission simulations through seventeen thicknesses of lead (0.00-3.50 mm). A fit of transmission data to lead thickness was performed to obtain α, β and γ parameters for each spectrum. The mean energy of the scatter spectra were up to 12.3 keV lower than that of the primary spectrum. For 120 kVp scatter beams the transmission through lead was at least 50% less than predicted by existing data for thicknesses of 1.5 mm and greater; at least 30% less transmission was seen for 140 kVp scatter beams. This work has shown that the mean energy and half-value layer of CT scatter spectra are lower than those of the corresponding primary beam. The transmission of CT scatter radiation through lead is lower than that calculated with currently available data. Using the data from this work will result in less lead shielding being required for CT scanner installations.

Impact of the ozone monitoring instrument row anomaly on the long-term record of aerosol products

NASA Astrophysics Data System (ADS)

Torres, Omar; Bhartia, Pawan K.; Jethva, Hiren; Ahn, Changwoo

2018-05-01

Since about three years after the launch the Ozone Monitoring Instrument (OMI) on the EOS-Aura satellite, the sensor's viewing capability has been affected by what is believed to be an internal obstruction that has reduced OMI's spatial coverage. It currently affects about half of the instrument's 60 viewing positions. In this work we carry out an analysis to assess the effect of the reduced spatial coverage on the monthly average values of retrieved aerosol optical depth (AOD), single scattering albedo (SSA) and the UV Aerosol Index (UVAI) using the 2005-2007 three-year period prior to the onset of the row anomaly. Regional monthly average values calculated using viewing positions 1 through 30 were compared to similarly obtained values using positions 31 through 60, with the expectation of finding close agreement between the two calculations. As expected, mean monthly values of AOD and SSA obtained with these two scattering-angle dependent subsets of OMI observations agreed over regions where carbonaceous or sulphate aerosol particles are the predominant aerosol type. However, over arid regions, where desert dust is the main aerosol type, significant differences between the two sets of calculated regional mean values of AOD were observed. As it turned out, the difference in retrieved desert dust AOD between the scattering-angle dependent observation subsets was due to the incorrect representation of desert dust scattering phase function. A sensitivity analysis using radiative transfer calculations demonstrated that the source of the observed AOD bias was the spherical shape assumption of desert dust particles. A similar analysis in terms of UVAI yielded large differences in the monthly mean values for the two sets of calculations over cloudy regions. On the contrary, in arid regions with minimum cloud presence, the resulting UVAI monthly average values for the two sets of observations were in very close agreement. The discrepancy under cloudy conditions was found to be caused by the parameterization of clouds as opaque Lambertian reflectors. When properly accounting for cloud scattering effects using Mie theory, the observed UVAI angular bias was significantly reduced. The analysis discussed here has uncovered important algorithmic deficiencies associated with the model representation of the angular dependence of scattering effects of desert dust aerosols and cloud droplets. The resulting improvements in the handling of desert dust and cloud scattering have been incorporated in an improved version of the OMAERUV algorithm.

Experimental and first-principles calculation study of the pressure-induced transitions to a metastable phase in GaP O4 and in the solid solution AlP O4-GaP O4

NASA Astrophysics Data System (ADS)

Angot, E.; Huang, B.; Levelut, C.; Le Parc, R.; Hermet, P.; Pereira, A. S.; Aquilanti, G.; Frapper, G.; Cambon, O.; Haines, J.

2017-08-01

α -Quartz-type gallium phosphate and representative compositions in the AlP O4-GaP O4 solid solution were studied by x-ray powder diffraction and absorption spectroscopy, Raman scattering, and by first-principles calculations up to pressures of close to 30 GPa. A phase transition to a metastable orthorhombic high-pressure phase along with some of the stable orthorhombic C m c m CrV O4 -type material is found to occur beginning at 9 GPa at 320 ∘C in GaP O4 . In the case of the AlP O4-GaP O4 solid solution at room temperature, only the metastable orthorhombic phase was obtained above 10 GPa. The possible crystal structures of the high-pressure forms of GaP O4 were predicted from first-principles calculations and the evolutionary algorithm USPEX. A predicted orthorhombic structure with a P m n 21 space group with the gallium in sixfold and phosphorus in fourfold coordination was found to be in the best agreement with the combined experimental data from x-ray diffraction and absorption and Raman spectroscopy. This method is found to very powerful to better understand competition between different phase transition pathways at high pressure.

Proportional Counter Calibration and Analysis for 12C + p Resonance Scattering

NASA Astrophysics Data System (ADS)

Nelson, Austin; Rogachev, Grigory; Uberseder, Ethan; Hooker, Josh; Koshchiy, Yevgen

2014-09-01

Light exotic nuclei provide a unique opportunity to test the predictions of modern ab initio theoretical calculations near the drip line. In ab initio approaches, nuclear structure is described starting from bare nucleon-nucleon and three-nucleon interactions. Calculations are very heavy and can only be performed for the lightest nuclei (A < 16). Experimental information on the structure of light exotic nuclei is crucial to determine the validity of these calculations and to fix the parameters for the three-nucleon forces. Resonance scattering with rare isotope beams is a very effective tool to study spectroscopy of nuclei near the drip line. A new setup was developed at the Cyclotron Institute for effective resonance scattering measurements. The setup includes ionization chamber, silicon array, and an array of proportional counters. The proportional counter array, consisting of 8 anode wires arranged in a parallel cellular grid, is used for particle identification and to track the positioning of light recoils. The main objective of this project was to test the performance and perform position calibration of this proportional counter array. The test was done using 12C beam. The excitation function for 12C + p elastic scattering was measured and calibration of the proportional counter was performed using known resonances in 13N. The method of calibration, including solid angle calculations, normalization corrections, and position calibration will be presented. Light exotic nuclei provide a unique opportunity to test the predictions of modern ab initio theoretical calculations near the drip line. In ab initio approaches, nuclear structure is described starting from bare nucleon-nucleon and three-nucleon interactions. Calculations are very heavy and can only be performed for the lightest nuclei (A < 16). Experimental information on the structure of light exotic nuclei is crucial to determine the validity of these calculations and to fix the parameters for the three-nucleon forces. Resonance scattering with rare isotope beams is a very effective tool to study spectroscopy of nuclei near the drip line. A new setup was developed at the Cyclotron Institute for effective resonance scattering measurements. The setup includes ionization chamber, silicon array, and an array of proportional counters. The proportional counter array, consisting of 8 anode wires arranged in a parallel cellular grid, is used for particle identification and to track the positioning of light recoils. The main objective of this project was to test the performance and perform position calibration of this proportional counter array. The test was done using 12C beam. The excitation function for 12C + p elastic scattering was measured and calibration of the proportional counter was performed using known resonances in 13N. The method of calibration, including solid angle calculations, normalization corrections, and position calibration will be presented. Funded by DOE and NSF-REU Program; Grant No. PHY-1263281.

Label-free hyperspectral dark-field microscopy for quantitative scatter imaging

NASA Astrophysics Data System (ADS)

Cheney, Philip; McClatchy, David; Kanick, Stephen; Lemaillet, Paul; Allen, David; Samarov, Daniel; Pogue, Brian; Hwang, Jeeseong

2017-03-01

A hyperspectral dark-field microscope has been developed for imaging spatially distributed diffuse reflectance spectra from light-scattering samples. In this report, quantitative scatter spectroscopy is demonstrated with a uniform scattering phantom, namely a solution of polystyrene microspheres. A Monte Carlo-based inverse model was used to calculate the reduced scattering coefficients of samples of different microsphere concentrations from wavelength-dependent backscattered signal measured by the dark-field microscope. The results are compared to the measurement results from a NIST double-integrating sphere system for validation. Ongoing efforts involve quantitative mapping of scattering and absorption coefficients in samples with spatially heterogeneous optical properties.

Optimal combining of ground-based sensors for the purpose of validating satellite-based rainfall estimates

NASA Technical Reports Server (NTRS)

Krajewski, Witold F.; Rexroth, David T.; Kiriaki, Kiriakie

1991-01-01

Two problems related to radar rainfall estimation are described. The first part is a description of a preliminary data analysis for the purpose of statistical estimation of rainfall from multiple (radar and raingage) sensors. Raingage, radar, and joint radar-raingage estimation is described, and some results are given. Statistical parameters of rainfall spatial dependence are calculated and discussed in the context of optimal estimation. Quality control of radar data is also described. The second part describes radar scattering by ellipsoidal raindrops. An analytical solution is derived for the Rayleigh scattering regime. Single and volume scattering are presented. Comparison calculations with the known results for spheres and oblate spheroids are shown.

Space telescope low scattered light camera - A model

NASA Technical Reports Server (NTRS)

Breckinridge, J. B.; Kuper, T. G.; Shack, R. V.

1982-01-01

A design approach for a camera to be used with the space telescope is given. Camera optics relay the system pupil onto an annular Gaussian ring apodizing mask to control scattered light. One and two dimensional models of ripple on the primary mirror were calculated. Scattered light calculations using ripple amplitudes between wavelength/20 wavelength/200 with spatial correlations of the ripple across the primary mirror between 0.2 and 2.0 centimeters indicate that the detection of an object a billion times fainter than a bright source in the field is possible. Detection of a Jovian type planet in orbit about alpha Centauri with a camera on the space telescope may be possible.

Inelastic black hole scattering from charged scalar amplitudes

NASA Astrophysics Data System (ADS)

Luna, Andrés; Nicholson, Isobel; O'Connell, Donal; White, Chris D.

2018-03-01

We explain how the lowest-order classical gravitational radiation produced during the inelastic scattering of two Schwarzschild black holes in General Relativity can be obtained from a tree scattering amplitude in gauge theory coupled to scalar fields. The gauge calculation is related to gravity through the double copy. We remove unwanted scalar forces which can occur in the double copy by introducing a massless scalar in the gauge theory, which is treated as a ghost in the link to gravity. We hope these methods are a step towards a direct application of the double copy at higher orders in classical perturbation theory, with the potential to greatly streamline gravity calculations for phenomenological applications.

Accuracy of Hartree-Fock wave functions for electron-H/sub 2/ scattering calculations

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

Feldt, A.N.

1988-05-01

Recent papers on electron-N/sub 2/ scattering by Rumble, Stevens, and Truhlar (J. Phys. B 17, 3151 (1984)) and Weatherford, Brown, and Temkin (Phys. Rev. A 35, 4561 (1987)) have suggested that Hartree-Fock (HF) wave functions may not be accurate for calculating potentials for use in studying electron-molecule collisions. A comparison of results for electron-H/sub 2/ scattering using both correlated and HF wave functions is presented. It is found that for both elastic and inelastic collisions and for all energies considered (up to 10 eV) the HF wave functions yield results in excellent agreement with those obtained from the more accuratemore » wave functions.« less

Shot noise at high temperatures

NASA Astrophysics Data System (ADS)

Gutman, D. B.; Gefen, Yuval

2003-07-01

We consider the possibility of measuring nonequilibrium properties of the current correlation functions at high temperatures (and small bias). Through the example of the third cumulant of the current (S3) we demonstrate that odd-order correlation functions represent nonequilibrium physics even at small external bias and high temperatures. We calculate S3=y(eV/T)e2I for a quasi-one-dimensional diffusive constriction. We calculate the scaling function y in two regimes: when the scattering processes are purely elastic and when the inelastic electron-electron scattering is strong. In both cases we find that y interpolates between two constants. In the low- (high-) temperature limit y is strongly (weakly) enhanced (suppressed) by the electron-electron scattering.

Linear and nonlinear stability of periodic orbits in annular billiards.

PubMed

Dettmann, Carl P; Fain, Vitaly

2017-04-01

An annular billiard is a dynamical system in which a particle moves freely in a disk except for elastic collisions with the boundary and also a circular scatterer in the interior of the disk. We investigate the stability properties of some periodic orbits in annular billiards in which the scatterer is touching or close to the boundary. We analytically show that there exist linearly stable periodic orbits of an arbitrary period for scatterers with decreasing radii that are located near the boundary of the disk. As the position of the scatterer moves away from a symmetry line of a periodic orbit, the stability of periodic orbits changes from elliptic to hyperbolic, corresponding to a saddle-center bifurcation. When the scatterer is tangent to the boundary, the periodic orbit is parabolic. We prove that slightly changing the reflection angle of the orbit in the tangential situation leads to the existence of Kolmogorov-Arnold-Moser islands. Thus, we show that there exists a decreasing to zero sequence of open intervals of scatterer radii, along which the billiard table is not ergodic.

Linear and nonlinear stability of periodic orbits in annular billiards

NASA Astrophysics Data System (ADS)

Dettmann, Carl P.; Fain, Vitaly

2017-04-01

An annular billiard is a dynamical system in which a particle moves freely in a disk except for elastic collisions with the boundary and also a circular scatterer in the interior of the disk. We investigate the stability properties of some periodic orbits in annular billiards in which the scatterer is touching or close to the boundary. We analytically show that there exist linearly stable periodic orbits of an arbitrary period for scatterers with decreasing radii that are located near the boundary of the disk. As the position of the scatterer moves away from a symmetry line of a periodic orbit, the stability of periodic orbits changes from elliptic to hyperbolic, corresponding to a saddle-center bifurcation. When the scatterer is tangent to the boundary, the periodic orbit is parabolic. We prove that slightly changing the reflection angle of the orbit in the tangential situation leads to the existence of Kolmogorov-Arnold-Moser islands. Thus, we show that there exists a decreasing to zero sequence of open intervals of scatterer radii, along which the billiard table is not ergodic.

Study on oligomerization of glutamate decarboxylase from Lactobacillus brevis using asymmetrical flow field-flow fractionation (AF4) with light scattering techniques.

PubMed

Choi, Jaeyeong; Lee, Seungho; Linares-Pastén, Javier A; Nilsson, Lars

2018-01-01

In this work, asymmetrical flow field-flow fractionation (AF4) coupled with UV/Vis, multi-angle light scattering (MALS), and differential refractive index (dRI) detectors (AF4-UV-MALS-dRI) was employed for analysis of glutamate decarboxylase (LbGadB) from Lactobacillus brevis (L. brevis). AF4 provided molecular weight (MW) (or size)-based separation of dimer, hexamer, and aggregates of LbGadB. The effect of pH on oligomerization of LbGadB was investigated, and then AF4 results were compared to those from molecular modeling. The MWs measured by AF4-UV-MALS-dRI for dimeric and hexameric forms of LbGadB were 110 and 350 kDa, respectively, which are in good agreements with those theoretically calculated (110 and 330 kDa). The molecular sizes determined by AF4-UV-MALS-dRI were also in good agreement with those obtained from molecular modeling (6 and 10 nm, respectively, for dimeric and hexameric from AF4-UV-MALS-dRI and 6.4 × 7.6 and 7.6 × 13.1 nm from molecular modeling). The effects of temperature, salt type, and salt concentration on oligomerization of LbGadB were also investigated using dynamic light scattering (DLS). It was found that the hexameric form of LbGadB was most stable at pH 6 and in presence of NaCl or KCl. The results indicate that AF4, in combination of various online detectors mentioned above, provides an effective tool for monitoring of oligomerization of LbGadB under different conditions, such as temperature, pH, type of salts, and salt concentrations.

Materials and structures

NASA Astrophysics Data System (ADS)

Saito, Theodore T.; Langenbeck, Sharon L.; Al-Jamily, Ghanim; Arnold, Joe; Barbee, Troy; Coulter, Dan; Dolgin, Ben; Fichter, Buck; George, Patricia; Gorenstein, Paul

1992-08-01

Materials and structures technology covers a wide range of technical areas. Some of the most pertinent issues for the Astrotech 21 missions include dimensionally stable structural materials, advanced composites, dielectric coatings, optical metallic coatings for low scattered light applications, low scattered light surfaces, deployable and inflatable structures (including optical), support structures in 0-g and 1-g environments, cryogenic optics, optical blacks, contamination hardened surfaces, radiation hardened glasses and crystals, mono-metallic telescopes and instruments, and materials characterization. Some specific examples include low coefficients of thermal expansion (CTE) structures (0.01 ppm/K), lightweight thermally stable mirror materials, thermally stable optical assemblies, high reliability/accuracy (1 micron) deployable structures, and characterization of nanometer level behavior of materials/structures for interferometry concepts. Large filled-aperture concepts will require materials with CTE's of 10(exp 9) at 80 K, anti-contamination coatings, deployable and erectable structures, composite materials with CTE's less than 0.01 ppm/K and thermal hysteresis, 0.001 ppm/K. Gravitational detection systems such as LAGOS will require rigid/deployable structures, dimensionally stable components, lightweight materials with low conductivity, and high stability optics. The Materials and Structures panel addressed these issues and the relevance of the Astrotech 21 mission requirements by dividing materials and structures technology into five categories. These categories, the necessary development, and applicable mission/program development phasing are summarized. For each of these areas, technology assessments were made and development plans were defined.

Spin-orbit scattering visualized in quasiparticle interference

NASA Astrophysics Data System (ADS)

Kohsaka, Y.; Machida, T.; Iwaya, K.; Kanou, M.; Hanaguri, T.; Sasagawa, T.

2017-03-01

In the presence of spin-orbit coupling, electron scattering off impurities depends on both spin and orbital angular momentum of electrons—spin-orbit scattering. Although some transport properties are subject to spin-orbit scattering, experimental techniques directly accessible to this effect are limited. Here we show that a signature of spin-orbit scattering manifests itself in quasiparticle interference (QPI) imaged by spectroscopic-imaging scanning tunneling microscopy. The experimental data of a polar semiconductor BiTeI are well reproduced by numerical simulations with the T -matrix formalism that include not only scalar scattering normally adopted but also spin-orbit scattering stronger than scalar scattering. To accelerate the simulations, we extend the standard efficient method of QPI calculation for momentum-independent scattering to be applicable even for spin-orbit scattering. We further identify a selection rule that makes spin-orbit scattering visible in the QPI pattern. These results demonstrate that spin-orbit scattering can exert predominant influence on QPI patterns and thus suggest that QPI measurement is available to detect spin-orbit scattering.

Coma dust scattering concepts applied to the Rosetta mission

NASA Astrophysics Data System (ADS)

Fink, Uwe; Rinaldi, Giovanna

2015-09-01

This paper describes basic concepts, as well as providing a framework, for the interpretation of the light scattered by the dust in a cometary coma as observed by instruments on a spacecraft such as Rosetta. It is shown that the expected optical depths are small enough that single scattering can be applied. Each of the quantities that contribute to the scattered intensity is discussed in detail. Using optical constants of the likely coma dust constituents, olivine, pyroxene and carbon, the scattering properties of the dust are calculated. For the resulting observable scattering intensities several particle size distributions are considered, a simple power law, power laws with a small particle cut off and a log-normal distributions with various parameters. Within the context of a simple outflow model, the standard definition of Afρ for a circular observing aperture is expanded to an equivalent Afρ for an annulus and specific line-of-sight observation. The resulting equivalence between the observed intensity and Afρ is used to predict observable intensities for 67P/Churyumov-Gerasimenko at the spacecraft encounter near 3.3 AU and near perihelion at 1.3 AU. This is done by normalizing particle production rates of various size distributions to agree with observed ground based Afρ values. Various geometries for the column densities in a cometary coma are considered. The calculations for a simple outflow model are compared with more elaborate Direct Simulation Monte Carlo Calculation (DSMC) models to define the limits of applicability of the simpler analytical approach. Thus our analytical approach can be applied to the majority of the Rosetta coma observations, particularly beyond several nuclear radii where the dust is no longer in a collisional environment, without recourse to computer intensive DSMC calculations for specific cases. In addition to a spherically symmetric 1-dimensional approach we investigate column densities for the 2-dimensional DSMC model on the day and night side of the comet. Our calculations are also applied to estimates of the dust particle densities and flux which are useful for the in-situ experiments on Rosetta.

SS-HORSE method for studying resonances

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

Blokhintsev, L. D.; Mazur, A. I.; Mazur, I. A., E-mail: 008043@pnu.edu.ru

A new method for analyzing resonance states based on the Harmonic-Oscillator Representation of Scattering Equations (HORSE) formalism and analytic properties of partial-wave scattering amplitudes is proposed. The method is tested by applying it to the model problem of neutral-particle scattering and can be used to study resonance states on the basis of microscopic calculations performed within various versions of the shell model.

Transport characteristics of a ZnMgO/ZnO hetero junction and the effect of temperature and Mg content

NASA Astrophysics Data System (ADS)

Uslu, Salih; Yarar, Zeki

2017-02-01

The Ensemble Monte Carlo method is used to calculate the transport characteristics of two dimensional electron gas (2DEG) at a ZnMgO/ZnO hetero structure. The spontaneous and piezoelectric polarizations are considered and there is no intentional doping in either material. Numerical Schrödinger and Poisson equations are solved self consistently to obtain the scattering rates of various scattering mechanisms. The density of carriers, each energy sub bands, potential profile and corresponding wave functions are obtained from the self consistent calculations. The self consistent sub band wave functions of acoustic and optic phonon scattering and interface roughness scattering are used in Monte Carlo method to obtain transport characteristics at ZnMgO/ZnO junction. Two dimensional electron gas confined to ZnMgO/ZnO hetero structure is studied and the effect of temperature and Mg content are investigated.

Production of thin targets by implantation for the measurement of the 16O + 16O elastic scattering below the Coulomb barrier

NASA Astrophysics Data System (ADS)

Silva, H.; Cruz, J.; Sánchez-Benítez, A. M.; Santos, C.; Luís, H.; Fonseca, M.; Jesus, A. P.

2017-09-01

In recent decades, the processes of fusion of 16O were studied both theoretically and experimentally. However, the theoretical calculations are unable to fit both elastic scattering cross sections and fusion S-factors. The use of 16O thin transmission targets is required to measure the elastic forward scattering 16O + 16O reaction. The areal density of the target must be high to maximize the reaction products yields, but not so high as to allow a correct calculation of the effective beam energy. Besides this, the target must withstand beam interactions without noticeable deterioration, and contaminants must be minimal. In this study, the production of thin targets is performed with an innovative technique. Beam characterization and preliminary spectrum for the elastic scattering are also presented, showing the suitability of these targets for the proposed reaction.

A method to obtain static potential for electron-molecule scattering

NASA Astrophysics Data System (ADS)

Srivastava, Rajesh; Das, Tapasi; Stauffer, Allan

2014-05-01

Electron scattering from molecules is complicated by the fact that molecules are a multi-centered target with the nuclei of the constituent atoms being a center of charge. One of the most important parts of a scattering calculation is to obtain the static potential which represents the interaction of the incident electron with the unperturbed charge distribution of the molecule. A common way to represent the charge distribution of molecules is with Gaussian orbitals centered on the various nuclei. We have derived a way to calculate spherically-averaged molecular static potentials using this form of molecular wave function which is mostly analytic. This method has been applied to elastic electron scattering from water molecules and we obtained differential cross sections which are compared with previous experimental and theoretical results. The method can be extended to more complex molecules. One of us (RS) is thankful to IAEA, Vienna, Austria and DAE-BRNS, Mumbai, India for financial support.

Prediction of e± elastic scattering cross-section ratio based on phenomenological two-photon exchange corrections

NASA Astrophysics Data System (ADS)

Qattan, I. A.

2017-06-01

I present a prediction of the e± elastic scattering cross-section ratio, Re+e-, as determined using a new parametrization of the two-photon exchange (TPE) corrections to electron-proton elastic scattering cross section σR. The extracted ratio is compared to several previous phenomenological extractions, TPE hadronic calculations, and direct measurements from the comparison of electron and positron scattering. The TPE corrections and the ratio Re+e- show a clear change of sign at low Q2, which is necessary to explain the high-Q2 form factors discrepancy while being consistent with the known Q2→0 limit. While my predictions are in generally good agreement with previous extractions, TPE hadronic calculations, and existing world data including the recent two measurements from the CLAS and VEPP-3 Novosibirsk experiments, they are larger than the new OLYMPUS measurements at larger Q2 values.

Self-consistent approach to the solution of the light transfer problem for irradiances in marine waters with arbitrary turbidity, depth, and surface illumination. I. Case of absorption and elastic scattering.

PubMed

Haltrin, V I

1998-06-20

A self-consistent variant of the two-flow approximation that takes into account strong anisotropy of light scattering in seawater of finite depth and arbitrary turbidity is presented. To achieve an appropriate accuracy, this approach uses experimental dependencies between downward and total mean cosines. It calculates irradiances, diffuse attenuation coefficients, and diffuse reflectances in waters with arbitrary values of scattering, backscattering, and attenuation coefficients. It also takes into account arbitrary conditions of illumination and reflection from the bottom with the Lambertian albedo. This theory can be used for the calculation of apparent optical properties in both open and coastal oceanic waters, lakes, and rivers. It can also be applied to other types of absorbing and scattering medium such as paints, photographic emulsions, and biological tissues.

Paper area density measurement from forward transmitted scattered light

DOEpatents

Koo, Jackson C.

2001-01-01

A method whereby the average paper fiber area density (weight per unit area) can be directly calculated from the intensity of transmitted, scattered light at two different wavelengths, one being a non-absorpted wavelength. Also, the method makes it possible to derive the water percentage per fiber area density from a two-wavelength measurement. In the optical measuring technique optical transmitted intensity, for example, at 2.1 microns cellulose absorption line is measured and compared with another scattered, optical transmitted intensity reference in the nearby spectrum region, such as 1.68 microns, where there is no absorption. From the ratio of these two intensities, one can calculate the scattering absorption coefficient at 2.1 microns. This absorption coefficient at this wavelength is, then, experimentally correlated to the paper fiber area density. The water percentage per fiber area density can be derived from this two-wavelength measurement approach.

Practical and adequate approach to modeling light propagation in an adult head with low-scattering regions by use of diffusion theory.

PubMed

Koyama, Tatsuya; Iwasaki, Atsushi; Ogoshi, Yosuke; Okada, Eiji

2005-04-10

A practical and adequate approach to modeling light propagation in an adult head with a low-scattering cerebrospinal fluid (CSF) region by use of diffusion theory was investigated. The diffusion approximation does not hold in a nonscattering or low-scattering regions. The hybrid radiosity-diffusion method was adopted to model the light propagation in the head with a nonscattering region. In the hybrid method the geometry of the nonscattering region is acquired as a priori information. In reality, low-level scattering occurs in the CSF region and may reduce the error caused by the diffusion approximation. The partial optical path length and the spatial sensitivity profile calculated by the finite-element method agree well with those calculated by the Monte Carlo method in the case in which the transport scattering coefficient of the CSF layer is greater than 0.3 mm(-1). Because it is feasible to assume that the transport scattering coefficient of a CSF layer is 0.3 mm(-1), it is practical to adopt diffusion theory to the modeling of light propagation in an adult head as an alternative to the hybrid method.

Practical and adequate approach to modeling light propagation in an adult head with low-scattering regions by use of diffusion theory

NASA Astrophysics Data System (ADS)

Koyama, Tatsuya; Iwasaki, Atsushi; Ogoshi, Yosuke; Okada, Eiji

2005-04-01

A practical and adequate approach to modeling light propagation in an adult head with a low-scattering cerebrospinal fluid (CSF) region by use of diffusion theory was investigated. The diffusion approximation does not hold in a nonscattering or low-scattering regions. The hybrid radiosity-diffusion method was adopted to model the light propagation in the head with a nonscattering region. In the hybrid method the geometry of the nonscattering region is acquired as a priori information. In reality, low-level scattering occurs in the CSF region and may reduce the error caused by the diffusion approximation. The partial optical path length and the spatial sensitivity profile calculated by the finite-element method agree well with those calculated by the Monte Carlo method in the case in which the transport scattering coefficient of the CSF layer is greater than 0.3 mm^-1. Because it is feasible to assume that the transport scattering coefficient of a CSF layer is 0.3 mm^-1, it is practical to adopt diffusion theory to the modeling of light propagation in an adult head as an alternative to the hybrid method.

Investigation on wide-band scattering of a 2-D target above 1-D randomly rough surface by FDTD method.

PubMed

Li, Juan; Guo, Li-Xin; Jiao, Yong-Chang; Li, Ke

2011-01-17

Finite-difference time-domain (FDTD) algorithm with a pulse wave excitation is used to investigate the wide-band composite scattering from a two-dimensional(2-D) infinitely long target with arbitrary cross section located above a one-dimensional(1-D) randomly rough surface. The FDTD calculation is performed with a pulse wave incidence, and the 2-D representative time-domain scattered field in the far zone is obtained directly by extrapolating the currently calculated data on the output boundary. Then the 2-D wide-band scattering result is acquired by transforming the representative time-domain field to the frequency domain with a Fourier transform. Taking the composite scattering of an infinitely long cylinder above rough surface as an example, the wide-band response in the far zone by FDTD with the pulsed excitation is computed and it shows a good agreement with the numerical result by FDTD with the sinusoidal illumination. Finally, the normalized radar cross section (NRCS) from a 2-D target above 1-D rough surface versus the incident frequency, and the representative scattered fields in the far zone versus the time are analyzed in detail.

Development of an ejecta particle size measurement diagnostic based on Mie scattering

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

Schauer, Martin Michael; Buttler, William Tillman; Frayer, Daniel K.

The goal of this work is to determine the feasibility of extracting the size of particles ejected from shocked metal surfaces (ejecta) from the angular distribution of light scattered by a cloud of such particles. The basis of the technique is the Mie theory of scattering, and implicit in this approach are the assumptions that the scattering particles are spherical and that single scattering conditions prevail. The meaning of this latter assumption, as far as experimental conditions are concerned, will become clear later. The solution to Maxwell’s equations for spherical particles illuminated by a plane electromagnetic wave was derived bymore » Gustav Mie more than 100 years ago, but several modern treatises discuss this solution in great detail. The solution is a complicated series expansion of the scattered electric field, as well as the field within the particle, from which the total scattering and absorption cross sections as well as the angular distribution of scattered intensity can be calculated numerically. The detailed nature of the scattering is determined by the complex index of refraction of the particle material as well as the particle size parameter, x, which is the product of the wavenumber of the incident light and the particle radius, i.e. x = 2rπ= λ. Figure 1 shows the angular distribution of scattered light for different particle size parameters and two orthogonal incident light polarizations as calculated using the Mie solution. It is obvious that the scattering pattern is strongly dependent on the particle size parameter, becoming more forward-directed and less polarizationdependent as the particle size parameter increases. This trend forms the basis for the diagnostic design.« less

Synthesis of high intrinsic loss power aqueous ferrofluids of iron oxide nanoparticles by citric acid-assisted hydrothermal-reduction route

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

Behdadfar, Behshid, E-mail: bbehdadfar@ma.iut.ac.ir; Kermanpur, Ahmad; Sadeghi-Aliabadi, Hojjat

Monodispersed aqueous ferrofluids of iron oxide nanoparticle were synthesized by hydrothermal-reduction route. They were characterized by X-ray diffraction analysis, Fourier transform infrared spectroscopy, scanning and transmission electron microscopy and dynamic light scattering. The results showed that certain concentrations of citric acid (CA) are required to obtain only magnetic iron oxides with mean particle sizes around 8 nm. CA acts as a modulator and reducing agent in iron oxide formation which controls nanoparticle size. The XRD, magnetic and heating measurements showed that the temperature and time of hydrothermal reaction can affect the magnetic properties of obtained ferrofluids. The synthesized ferrofluids weremore » stable at pH 7. Their mean hydrodynamic size was around 80 nm with polydispersity index (PDI) of 0.158. The calculated intrinsic loss power (ILP) was 9.4 nHm{sup 2}/kg. So this clean and cheap route is an efficient way to synthesize high ILP aqueous ferrofluids applicable in magnetic hyperthermia. - Graphical abstract: Monodispersed aqueous ferrofluids of iron oxide nanoparticles were synthesized by hydrothermal-reduction method with citric acid as reductant which is an efficient way to synthesize aqueous ferrofluids applicable in magnetic hyperthermia. Highlights: Black-Right-Pointing-Pointer Aqueous iron oxide ferrofluids were synthesized by hydrothermal-reduction route. Black-Right-Pointing-Pointer Citric acid acted as reducing agent and surfactant in the route. Black-Right-Pointing-Pointer This is a facile, low energy and environmental friendly route. Black-Right-Pointing-Pointer The aqueous iron oxide ferrofluids were monodispersed and stable at pH of 7. Black-Right-Pointing-Pointer The calculated intrinsic loss power of the synthesized ferrofluids was very high.« less

Urban Monitoring Based on SENTINEL-1 Data Using Permanent Scatterer Interferometry and SAR Tomography

NASA Astrophysics Data System (ADS)

Crosetto, M.; Budillon, A.; Johnsy, A.; Schirinzi, G.; Devanthéry, N.; Monserrat, O.; Cuevas-González, M.

2018-04-01

A lot of research and development has been devoted to the exploitation of satellite SAR images for deformation measurement and monitoring purposes since Differential Interferometric Synthetic Apertura Radar (InSAR) was first described in 1989. In this work, we consider two main classes of advanced DInSAR techniques: Persistent Scatterer Interferometry and Tomographic SAR. Both techniques make use of multiple SAR images acquired over the same site and advanced procedures to separate the deformation component from the other phase components, such as the residual topographic component, the atmospheric component, the thermal expansion component and the phase noise. TomoSAR offers the advantage of detecting either single scatterers presenting stable proprieties over time (Persistent Scatterers) and multiple scatterers interfering within the same range-azimuth resolution cell, a significant improvement for urban areas monitoring. This paper addresses a preliminary inter-comparison of the results of both techniques, for a test site located in the metropolitan area of Barcelona (Spain), where interferometric Sentinel-1 data were analysed.

NIST Standard Reference Material 3600: Absolute Intensity Calibration Standard for Small-Angle X-ray Scattering

DOE PAGES

Allen, Andrew J.; Zhang, Fan; Kline, R. Joseph; ...

2017-03-07

The certification of a new standard reference material for small-angle scattering [NIST Standard Reference Material (SRM) 3600: Absolute Intensity Calibration Standard for Small-Angle X-ray Scattering (SAXS)], based on glassy carbon, is presented. Creation of this SRM relies on the intrinsic primary calibration capabilities of the ultra-small-angle X-ray scattering technique. This article describes how the intensity calibration has been achieved and validated in the certified Q range, Q = 0.008–0.25 Å –1, together with the purpose, use and availability of the SRM. The intensity calibration afforded by this robust and stable SRM should be applicable universally to all SAXS instruments thatmore » employ a transmission measurement geometry, working with a wide range of X-ray energies or wavelengths. As a result, the validation of the SRM SAXS intensity calibration using small-angle neutron scattering (SANS) is discussed, together with the prospects for including SANS in a future renewal certification.« less

NIST Standard Reference Material 3600: Absolute Intensity Calibration Standard for Small-Angle X-ray Scattering

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

Allen, Andrew J.; Zhang, Fan; Kline, R. Joseph

The certification of a new standard reference material for small-angle scattering [NIST Standard Reference Material (SRM) 3600: Absolute Intensity Calibration Standard for Small-Angle X-ray Scattering (SAXS)], based on glassy carbon, is presented. Creation of this SRM relies on the intrinsic primary calibration capabilities of the ultra-small-angle X-ray scattering technique. This article describes how the intensity calibration has been achieved and validated in the certified Q range, Q = 0.008–0.25 Å –1, together with the purpose, use and availability of the SRM. The intensity calibration afforded by this robust and stable SRM should be applicable universally to all SAXS instruments thatmore » employ a transmission measurement geometry, working with a wide range of X-ray energies or wavelengths. As a result, the validation of the SRM SAXS intensity calibration using small-angle neutron scattering (SANS) is discussed, together with the prospects for including SANS in a future renewal certification.« less

NIST Standard Reference Material 3600: Absolute Intensity Calibration Standard for Small-Angle X-ray Scattering.

PubMed

Allen, Andrew J; Zhang, Fan; Kline, R Joseph; Guthrie, William F; Ilavsky, Jan

2017-04-01

The certification of a new standard reference material for small-angle scattering [NIST Standard Reference Material (SRM) 3600: Absolute Intensity Calibration Standard for Small-Angle X-ray Scattering (SAXS)], based on glassy carbon, is presented. Creation of this SRM relies on the intrinsic primary calibration capabilities of the ultra-small-angle X-ray scattering technique. This article describes how the intensity calibration has been achieved and validated in the certified Q range, Q = 0.008-0.25 Å -1 , together with the purpose, use and availability of the SRM. The intensity calibration afforded by this robust and stable SRM should be applicable universally to all SAXS instruments that employ a transmission measurement geometry, working with a wide range of X-ray energies or wavelengths. The validation of the SRM SAXS intensity calibration using small-angle neutron scattering (SANS) is discussed, together with the prospects for including SANS in a future renewal certification.

Validation of SMAP Radar Vegetation Data Cubes from Agricultural Field Measurements

NASA Astrophysics Data System (ADS)

Tsang, L.; Xu, X.; Liao, T.; Kim, S.; Njoku, E. G.

2012-12-01

The NASA Soil Moisture Active/Passive (SMAP) Mission will be launched in October 2014. The objective of the SMAP mission is to provide global measurements of soil moisture and its freeze/thaw state. These measurements will be used to enhance understanding of processes that link the water, energy and carbon cycles, and to extend the capabilities of weather and climate prediction models. In the active algorithm, the retrieval is performed based on the backscattering data cube, which are characterized by two surface parameters, which are soil moisture and soil surface rms height, and one vegetation parameter, the vegetation water content. We have developed a physical-based forward scattering model to generate the data cube for agricultural fields. To represent the agricultural crops, we include a layer of cylinders and disks on top of the rough surface. The scattering cross section of the vegetation layer and its interaction with the underground soil surface were calculated by the distorted Born approximation, which give explicitly three scattering mechanisms. A) The direct volume scattering B) The double bounce effect as, and C) The double bouncing effects. The direct volume scattering is calculated by using the Body of Revolution code. The double bounce effects, exhibited by the interaction of rough surface with the vegetation layer is considered by modifying the rough surface reflectivity using the coherent wave as computed by Numerical solution of Maxwell equations of 3 Dimensional simulations (NMM3D) of bare soil scattering. The rough surface scattering of the soil was calculated by NMM3D. We have compared the physical scattering models with field measurements. In the field campaign, the measurements were made on soil moisture, rough surface rms heights and vegetation water content as well as geometric parameters of vegetation. The three main crops lands are grassland, cornfield and soybean fields. The corresponding data cubes are validated using SGP99, SMEX02 and SMEX 08 field experiments.

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.

Multiple Scattering Principal Component-based Radiative Transfer Model (PCRTM) from Far IR to UV-Vis

NASA Astrophysics Data System (ADS)

Liu, X.; Wu, W.; Yang, Q.

2017-12-01

Modern satellite hyperspectral satellite remote sensors such as AIRS, CrIS, IASI, CLARREO all require accurate and fast radiative transfer models that can deal with multiple scattering of clouds and aerosols to explore the information contents. However, performing full radiative transfer calculations using multiple stream methods such as discrete ordinate (DISORT), doubling and adding (AD), successive order of scattering order of scattering (SOS) are very time consuming. We have developed a principal component-based radiative transfer model (PCRTM) to reduce the computational burden by orders of magnitudes while maintain high accuracy. By exploring spectral correlations, the PCRTM reduce the number of radiative transfer calculations in frequency domain. It further uses a hybrid stream method to decrease the number of calls to the computational expensive multiple scattering calculations with high stream numbers. Other fast parameterizations have been used in the infrared spectral region reduce the computational time to milliseconds for an AIRS forward simulation (2378 spectral channels). The PCRTM has been development to cover spectral range from far IR to UV-Vis. The PCRTM model have been be used for satellite data inversions, proxy data generation, inter-satellite calibrations, spectral fingerprinting, and climate OSSE. We will show examples of applying the PCRTM to single field of view cloudy retrievals of atmospheric temperature, moisture, traces gases, clouds, and surface parameters. We will also show how the PCRTM are used for the NASA CLARREO project.

The Effect of Roughness Model on Scattering Properties of Ice Crystals.

NASA Technical Reports Server (NTRS)

Geogdzhayev, Igor V.; Van Diedenhoven, Bastiaan

2016-01-01

We compare stochastic models of microscale surface roughness assuming uniform and Weibull distributions of crystal facet tilt angles to calculate scattering by roughened hexagonal ice crystals using the geometric optics (GO) approximation. Both distributions are determined by similar roughness parameters, while the Weibull model depends on the additional shape parameter. Calculations were performed for two visible wavelengths (864 nm and 410 nm) for roughness values between 0.2 and 0.7 and Weibull shape parameters between 0 and 1.0 for crystals with aspect ratios of 0.21, 1 and 4.8. For this range of parameters we find that, for a given roughness level, varying the Weibull shape parameter can change the asymmetry parameter by up to about 0.05. The largest effect of the shape parameter variation on the phase function is found in the backscattering region, while the degree of linear polarization is most affected at the side-scattering angles. For high roughness, scattering properties calculated using the uniform and Weibull models are in relatively close agreement for a given roughness parameter, especially when a Weibull shape parameter of 0.75 is used. For smaller roughness values, a shape parameter close to unity provides a better agreement. Notable differences are observed in the phase function over the scattering angle range from 5deg to 20deg, where the uniform roughness model produces a plateau while the Weibull model does not.

Elastic/Inelastic Measurement Project

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

Yates, Steven; Hicks, Sally; Vanhoy, Jeffrey

2016-03-01

The work scope involves the measurement of neutron scattering from natural sodium ( 23Na) and two isotopes of iron, 56Fe and 54Fe. Angular distributions, i.e., differential cross sections, of the scattered neutrons will be measured for 5 to 10 incident neutron energies per year. The work of the first year concentrates on 23Na, while the enriched iron samples are procured. Differential neutron scattering cross sections provide information to guide nuclear reaction model calculations in the low-­energy (few MeV) fast-­neutron region. This region lies just above the isolated resonance region, which in general is well studied; however, model calculations are difficultmore » in this region because overlapping resonance structure is evident and direct nuclear reactions are becoming important. The standard optical model treatment exhibits good predictive ability for the wide-­region average cross sections but cannot treat the overlapping resonance features. In addition, models that do predict the direct reaction component must be guided by measurements to describe correctly the strength of the direct component, e.g., β 2 must be known to describe the direct component of the scattering to the first excited state. Measurements of the elastic scattering differential cross sections guide the optical model calculations, while inelastic differential cross sections provide the crucial information for correctly describing the direct component. Activities occurring during the performance period are described.« less

Ionic scattering factors of atoms that compose biological molecules

PubMed Central

Matsuoka, Rei; Yamashita, Yoshiki; Yamane, Tsutomu; Kidera, Akinori; Maki-Yonekura, Saori

2018-01-01

Ionic scattering factors of atoms that compose biological molecules have been computed by the multi-configuration Dirac–Fock method. These ions are chemically unstable and their scattering factors had not been reported except for O−. Yet these factors are required for the estimation of partial charges in protein molecules and nucleic acids. The electron scattering factors of these ions are particularly important as the electron scattering curves vary considerably between neutral and charged atoms in the spatial-resolution range explored in structural biology. The calculated X-ray and electron scattering factors have then been parameterized for the major scattering curve models used in X-ray and electron protein crystallography and single-particle cryo-EM. The X-ray and electron scattering factors and the fitting parameters are presented for future reference. PMID:29755750

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.

Time Dependent Channel Packet Calculation of Two Nucleon Scattering Matrix Elements

DTIC Science & Technology

2010-03-01

solutions, 46 ( ) ( )1 1 11 ( ) cos sinL L L L Lr Akr j kr krψ δ η δ= −   (3.70) Here, A is an arbitrary constant, Lδ is the phase shift...iv AFIT/DS/ENP/10-M03 Abstract A new approach to calculating nucleon-nucleon scattering matrix...elements using a proven atomic time-dependent wave packet technique is investigated. Using this technique, reactant and product wave packets containing

A Comparison of Volume Scattering Strength Data with Model Calculations based on Quasisynoptically Collected Fishery Data

DTIC Science & Technology

1993-06-03

personal communication , Institute of Marine Research, Bergen, Norway (1990). fishery sense although they could be major contributors to 7"Report of the...volume scattering strength data with model calculations based or, Program Element No. quasisynoptically collected fishery data Pjfect No. 6. Author(s...and 5000 Hz in the Norwegian Sea in August 1988 and west of Great Britain in April 1989. Coincidentally, extensive fishery surveys were conducted at

Extension and applications of switching model: Range theory, multiple scattering model of Goudsmit-Saunderson, and lateral spread treatment of Marwick-Sigmund

NASA Astrophysics Data System (ADS)

Ikegami, Seiji

2017-09-01

The switching model (PSM) developed in the previous paper is extended to obtain an ;extended switching model (ESM). In the ESM, the mixt electronic-and-nuclear energy-loss region, in addition to the electronic and nuclear energy-loss regions in PSM, is taken into account analytically and appropriately. This model is combined with a small-angle multiple scattering range theory considering both nuclear and electronic stopping effects developed by Marwick-Sigmund and Valdes-Arista to formulate a improved range theory. The ESM is also combined with the multiple scattering theory with non-small angle approximation by Goudsmit-Saunderson. Furthermore, we applied ESM to lateral spread model of Marwick-Sigmund. Numerical calculations of the entire distribution functions including one of the mixt region are roughly and approximately possible. However, exact numerical calculation may be impossible. Consequently, several preliminary numerical calculations of the electronic, mixt, and nuclear regions are performed to examine their underlying behavior with respect to the incident energy, the scattering angle, the outgoing projectile intensity, and the target thickness. We show the numerical results not only of PSM and but also of ESM. Both numerical results are shown in the present paper for the first time. Since the theoretical relations are constructed using reduced variables, the calculations are made only on the case of C colliding on C.

Multichannel forward scattering meter for oceanography

NASA Technical Reports Server (NTRS)

Mccluney, W. R.

1974-01-01

An instrument was designed and built that measures the light scattered at several angles in the forward direction simultaneously. The instrument relies on an optical multiplexing technique for frequency encoding of the different channels suitable for detection by a single photodetector. A Mie theory computer program was used to calculate the theoretical volume scattering function for a suspension of polystyrene latex spheres. The agreement between the theoretical and experimental volume scattering functions is taken as a verification of the calibration technique used.

On the size dependence of the scattering greenhouse effect of CO2 ice particles

NASA Astrophysics Data System (ADS)

Kitzmann, D.; Patzer, A. B. C.; Rauer, H.

2011-10-01

In this contribution we study the potential greenhouse effect due to scattering of CO2 ice clouds for atmospheric conditions of terrestrial extrasolar planets. Therefore, we calculate the scattering and absorption properties of CO2 ice particles using Mie theory for assumed particle size distributions with different effective radii and particle densities to determine the scattering and absorption characteristics of such clouds. Implications especially in view of a potential greenhouse warming of the planetary surface are discussed.

Computation of the intensities of parametric holographic scattering patterns in photorefractive crystals.

PubMed

Schwalenberg, Simon

2005-06-01

The present work represents a first attempt to perform computations of output intensity distributions for different parametric holographic scattering patterns. Based on the model for parametric four-wave mixing processes in photorefractive crystals and taking into account realistic material properties, we present computed images of selected scattering patterns. We compare these calculated light distributions to the corresponding experimental observations. Our analysis is especially devoted to dark scattering patterns as they make high demands on the underlying model.

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.

Fabrication and testing of scatter plates for interferometry

NASA Technical Reports Server (NTRS)

Pour, J. J., Sr.; Pitts, J. R.

1972-01-01

Scatter plate interferometry has become a reliable method of measuring surface configurations of telescope mirrors and other optical components. The scatter plate used in an instrument should be of optimum quality if the surface it is being used to measure is to be of high accuracy. Tests were performed and results show that, although many scatter plates would function, few were of the optimum quality necessary. These few were of the 180 grit group, using 35- and 30-s exposures, which are figures derived from calculations.

A new instrument for high resolution stereoscopic photography of falling hydrometeors with simultaneous measurement of fallspeed

NASA Astrophysics Data System (ADS)

Yuter, S. E.; Garrett, T. J.; Fallgatter, C.; Shkurko, K.; Howlett, D.; Dean, J.; Hardin, N.

2012-12-01

We introduce a new instrument, the Fallgatter Technologies Multi-Angle Snowflake Camera (MASC), that provides <30 micron resolution stereoscopic photographic images of individual large falling hydrometeors with accurate measurements of their fallspeed. Previously, identification of hydrometeor form has required initial collection on a flat surface, a process that is somewhat subjective and remarkably finicky due to the fragile nature of the particles. Other hydrometeor instruments such as the 2DVD, are automated and leave the particle untouched and provide fallspeed data. However, they provide only 200 micron resolution silhouettes, which can be insufficient for habit and riming identification and the requirements of microwave scattering calculations. The MASC is like the 2DVD but uses a sensitive IR motion sensor for a trigger and actually photographs the particle surface from multiple angles. Field measurements from Alta Ski Area near Salt Lake City are providing beautiful images and fallspeed data, suggesting that MASC measurements may help development of improved parameterizations for hydrometeor microwave scattering. Hundreds of thousands of images have been collected enabling comparisons of hydrometeor development, morphology and fallspeed with a co-located vertically pointing 24 GHz MicroRainRadar radar. Here we show multi-angle images from the MASC, size fallspeed relationships, and discrete dipole approximation scattering calculations for a range of hydrometeor forms at the frequencies of 24 GHz, 94 GHz and 183 GHz. The scattering calculations indicate that complex, aggregated snowflake shapes appear to be more strongly forward scattering, at the expense of reduced back-scatter, than graupel particles of similar size.

Controlling the spectral shape of nonlinear Thomson scattering with proper laser chirping

DOE PAGES

Rykovanov, S. G.; Geddes, C. G. R.; Schroeder, C. B.; ...

2016-03-18

Effects of nonlinearity in Thomson scattering of a high intensity laser pulse from electrons are analyzed. Analytic expressions for laser pulse shaping in frequency (chirping) are obtained which control spectrum broadening for high laser pulse intensities. These analytic solutions allow prediction of the spectral form and required laser parameters to avoid broadening. Results of analytical and numerical calculations agree well. The control over the scattered radiation bandwidth allows narrow bandwidth sources to be produced using high scattering intensities, which in turn greatly improves scattering yield for future x- and gamma-ray sources.

Milne problem for non-absorbing medium with extremely anisotropic scattering kernel in the case of specular and diffuse reflecting boundaries

NASA Astrophysics Data System (ADS)

Güleçyüz, M. Ç.; Şenyiğit, M.; Ersoy, A.

2018-01-01

The Milne problem is studied in one speed neutron transport theory using the linearly anisotropic scattering kernel which combines forward and backward scatterings (extremely anisotropic scattering) for a non-absorbing medium with specular and diffuse reflection boundary conditions. In order to calculate the extrapolated endpoint for the Milne problem, Legendre polynomial approximation (PN method) is applied and numerical results are tabulated for selected cases as a function of different degrees of anisotropic scattering. Finally, some results are discussed and compared with the existing results in literature.

A Markov Chain-based quantitative study of angular distribution of photons through turbid slabs via isotropic light scattering

NASA Astrophysics Data System (ADS)

Li, Xuesong; Northrop, William F.

2016-04-01

This paper describes a quantitative approach to approximate multiple scattering through an isotropic turbid slab based on Markov Chain theorem. There is an increasing need to utilize multiple scattering for optical diagnostic purposes; however, existing methods are either inaccurate or computationally expensive. Here, we develop a novel Markov Chain approximation approach to solve multiple scattering angular distribution (AD) that can accurately calculate AD while significantly reducing computational cost compared to Monte Carlo simulation. We expect this work to stimulate ongoing multiple scattering research and deterministic reconstruction algorithm development with AD measurements.

Modeling of high‐frequency seismic‐wave scattering and propagation using radiative transfer theory

USGS Publications Warehouse

Zeng, Yuehua

2017-01-01

This is a study of the nonisotropic scattering process based on radiative transfer theory and its application to the observation of the M 4.3 aftershock recording of the 2008 Wells earthquake sequence in Nevada. Given a wide range of recording distances from 29 to 320 km, the data provide a unique opportunity to discriminate scattering models based on their distance‐dependent behaviors. First, we develop a stable numerical procedure to simulate nonisotropic scattering waves based on the 3D nonisotropic scattering theory proposed by Sato (1995). By applying the simulation method to the inversion of M 4.3 Wells aftershock recordings, we find that a nonisotropic scattering model, dominated by forward scattering, provides the best fit to the observed high‐frequency direct S waves and S‐wave coda velocity envelopes. The scattering process is governed by a Gaussian autocorrelation function, suggesting a Gaussian random heterogeneous structure for the Nevada crust. The model successfully explains the common decay of seismic coda independent of source–station locations as a result of energy leaking from multiple strong forward scattering, instead of backscattering governed by the diffusion solution at large lapse times. The model also explains the pulse‐broadening effect in the high‐frequency direct and early arriving S waves, as other studies have found, and could be very important to applications of high‐frequency wave simulation in which scattering has a strong effect. We also find that regardless of its physical implications, the isotropic scattering model provides the same effective scattering coefficient and intrinsic attenuation estimates as the forward scattering model, suggesting that the isotropic scattering model is still a viable tool for the study of seismic scattering and intrinsic attenuation coefficients in the Earth.

Electromagnetic backscattering from a random distribution of lossy dielectric scatterers

NASA Technical Reports Server (NTRS)

Lang, R. H.

1980-01-01

Electromagnetic backscattering from a sparse distribution of discrete lossy dielectric scatterers occupying a region 5 was studied. The scatterers are assumed to have random position and orientation. Scattered fields are calculated by first finding the mean field and then by using it to define an equivalent medium within the volume 5. The scatterers are then viewed as being embedded in the equivalent medium; the distorted Born approximation is then used to find the scattered fields. This technique represents an improvement over the standard Born approximation since it takes into account the attenuation of the incident and scattered waves in the equivalent medium. The method is used to model a leaf canopy when the leaves are modeled by lossy dielectric discs.

Applications of the Hybrid Theory to the Scattering of Electrons from HE+ and Li++ and Resonances in these Systems

NASA Technical Reports Server (NTRS)

Bhatia, Anand K.

2008-01-01

Applications of the hybrid theory to the scattering of electrons from Ile+ and Li++ and resonances in these systems, A. K. Bhatia, NASA/Goddard Space Flight Center- The Hybrid theory of electron-hydrogen elastic scattering [I] is applied to the S-wave scattering of electrons from He+ and Li++. In this method, both short-range and long-range correlations are included in the Schrodinger equation at the same time. Phase shifts obtained in this calculation have rigorous lower bounds to the exact phase shifts and they are compared with those obtained using the Feshbach projection operator formalism [2], the close-coupling approach [3], and Harris-Nesbet method [4]. The agreement among all the calculations is very good. These systems have doubly-excited or Feshbach resonances embedded in the continuum. The resonance parameters for the lowest ' S resonances in He and Li+ are calculated and they are compared with the results obtained using the Feshbach projection operator formalism [5,6]. It is concluded that accurate resonance parameters can be obtained by the present method, which has the advantage of including corrections due to neighboring resonances and the continuum in which these resonances are embedded.

Towards the estimation of the scattered energy spectra reaching the head of the medical staff during interventional radiology: A Monte Carlo simulation study

NASA Astrophysics Data System (ADS)

Zagorska, A.; Bliznakova, K.; Buchakliev, Z.

2015-09-01

In 2012, the International Commission on Radiological Protection has recommended a reduction of the dose limits to the eye lens for occupational exposure. Recent studies showed that in interventional rooms is possible to reach these limits especially without using protective equipment. The aim of this study was to calculate the scattered energy spectra distribution at the level of the operator's head. For this purpose, an in-house developed Monte Carlo-based computer application was used to design computational phantoms (patient and operator), the acquisition geometry as well as to simulate the photon transport through the designed system. The initial spectra from 70 kV tube voltage and 8 different filtrations were calculated according to the IPEM Report 78. An experimental study was carried out to verify the results from the simulations. The calculated scattered radiation distributions were compared to the initial incident on the patient spectra. Results showed that there is no large difference between the effective energies of the scattered spectra registered in front of the operator's head obtained from simulations of all 8 incident spectra. The results from the experimental study agreed well to simulations as well.

Study of thermal scattering for organic tissues through molecular dynamics

NASA Astrophysics Data System (ADS)

Ramos, Ricardo; Cantargi, Florencia; Marquez Damian, Jose Ignacio; Gonçalves-Carralves, Manuel Sztejnberg

2017-09-01

Boron Neutron Capture Therapy (BNCT) is an experimental therapy for tumors which is based on the nuclear reaction that occurs when 10B is irradiated with thermal neutrons. Calculations for BNCT with Monte Carlo N-Particle (MCNP) take into account the thermal scattering treatment for hydrogen bound in bulk water for any organic tissue. However, in these tissues, hydrogen is also present in macromolecules (protein, lipids, etc.) and in confined water. Thermal scattering cross section for hydrogen in an organic tissue can be determined by calculating the scattering law S(α,β). This function can be obtained with the nuclear data processing system NJOY from the vibrational frequency spectrum of an atom in a molecular system. We performed calculations of the frequency spectrum from molecular dynamics simulations using the program GROMACS. Systems composed of a peptide in a water box were considered, with different proportions of water molecules. All-atom potentials for modeling this molecules were used in order to represent the internal vibrational normal modes for the atoms of hydrogen. The results showed several internal normal modes that in the case of hydrogen bound in bulk water do not appear.

Sensitivity of the halo nuclei-12C elastic scattering at incident nucleon energy 800 MeV to the halo density distribution

NASA Astrophysics Data System (ADS)

Hassan, M. A. M.; Nour El-Din, M. S. M.; Ellithi, A.; Hosny, H.; Salama, T. N. E.

2017-10-01

In the framework of Glauber optical limit approximation where Coulomb effect is taken into account, the elastic scattering differential cross section for halo nuclei with {}^{12}{C} at 800 MeV/N has been calculated. Its sensitivity to the halo densities and the root mean square of the core and halo is the main goal of the current study. The projectile nuclei are taken to be one-neutron and two-neutron halo. The calculations are carried out for Gaussian-Gaussian, Gaussian-Oscillator and Gaussian-2 s phenomenological densities for each considered projectile in the mass number range 6-29. Also included a comparison between the obtained results of phenomenological densities and the results within the microscopic densities LSSM of {}6{He} and {}^{11}{Li} and microscopic densities GCM of {}^{11}{Be} where the density of the target nucleus {}^{12}{C} obtained from electron-{}^{12}{C} scattering is used. The zero range approximation is considered in the calculations. We found that the sensitivity of elastic scattering differential cross section to the halo density is clear if the nucleus appears as two clear different clusters, core and halo.

Simulation electromagnetic scattering on bodies through integral equation and neural networks methods

NASA Astrophysics Data System (ADS)

Lvovich, I. Ya; Preobrazhenskiy, A. P.; Choporov, O. N.

2018-05-01

The paper deals with the issue of electromagnetic scattering on a perfectly conducting diffractive body of a complex shape. Performance calculation of the body scattering is carried out through the integral equation method. Fredholm equation of the second time was used for calculating electric current density. While solving the integral equation through the moments method, the authors have properly described the core singularity. The authors determined piecewise constant functions as basic functions. The chosen equation was solved through the moments method. Within the Kirchhoff integral approach it is possible to define the scattered electromagnetic field, in some way related to obtained electrical currents. The observation angles sector belongs to the area of the front hemisphere of the diffractive body. To improve characteristics of the diffractive body, the authors used a neural network. All the neurons contained a logsigmoid activation function and weighted sums as discriminant functions. The paper presents the matrix of weighting factors of the connectionist model, as well as the results of the optimized dimensions of the diffractive body. The paper also presents some basic steps in calculation technique of the diffractive bodies, based on the combination of integral equation and neural networks methods.

Theory of the Lattice Thermal Conductivity of Nanowires

NASA Astrophysics Data System (ADS)

Broido, D. A.; Mingo, N.

2004-03-01

Thermal transport in semiconductor nanowires is of considerable scientific interest, and its understanding is important as well for potential applications[1]. We present a theory of the lattice thermal conductivity along semiconductor nanowires which includes anharmonic phonon-phonon scattering as well as defect and boundary scattering. These latter two scattering mechanisms are treated in relaxation time approximations. Our theory provides an iterative solution [2] of the phonon Boltzmann equation in which the full nanowire phonon dispersions and modes obtained from lattice dynamics calculations are included consistently in treating the anharmonic three-phonon scattering. We calculate the lattice thermal conductivity of Si nanowires as a function of temperature and wire thickness, and we compare our results with recent measurements [3], and with previous calculations in the relaxation time approximation [4].-------- [1] D. Cahill, W. ford, K. Goodson, G. D. Mahan, A. Majumdar, H. J. Maris, R. Merlin and S. Phillpot, J. Appl. Phys. 93, 793 (2003). [2] M. Omini and A. Sparavigna, Nuovo Cimento, D 19, 1537 (1997). [3] D. Li, Y. Wu, P. Kim, L. Shi, P. Yang and A. Majumdar, Appl. Phys. Lett. 83, 2934 (2003). [4] N. Mingo, Phys. Rev. B 68, 113308 (2003).

[Evaluation of crossing calibration of (123)I-MIBG H/M ration, with the IDW scatter correction method, on different gamma camera systems].

PubMed

Kittaka, Daisuke; Takase, Tadashi; Akiyama, Masayuki; Nakazawa, Yasuo; Shinozuka, Akira; Shirai, Muneaki

2011-01-01

(123)I-MIBG Heart-to-Mediastinum activity ratio (H/M) is commonly used as an indicator of relative myocardial (123)I-MIBG uptake. H/M ratios reflect myocardial sympathetic nerve function, therefore it is a useful parameter to assess regional myocardial sympathetic denervation in various cardiac diseases. However, H/M ratio values differ by site, gamma camera system, position and size of region of interest (ROI), and collimator. In addition to these factors, 529 keV scatter component may also affect (123)I-MIBG H/M ratio. In this study, we examined whether the H/M ratio shows correlation between two different gamma camera systems and that sought for H/M ratio calculation formula. Moreover, we assessed the feasibility of (123)I Dual Window (IDW) method, which is a scatter correction method, and compared H/M ratios with and without IDW method. H/M ratio displayed a good correlation between two gamma camera systems. Additionally, we were able to create a new H/M calculation formula. These results indicated that the IDW method is a useful scatter correction method for calculating (123)I-MIBG H/M ratios.

A Calculation and Measurement of Radiative Moller Scattering at 100 MeV with DarkLight

NASA Astrophysics Data System (ADS)

Epstein, Charles; DarkLight Collaboration

2017-01-01

A number of current experiments rely on precise knowledge of electron-electron (Moller) and positron-electron (Bhabha) scattering. Many of these experiments, which have lepton beams on atomic targets, use these QED processes as normalization. In other cases, such as DarkLight (at the Jefferson Lab ERL), with electron beams at relatively low energy (100 MeV) and very high power (1 Megawatt), Moller scattering and radiative Moller scattering have such enormous cross-sections that they produce extensive amounts of noise that must be understood. In this low-energy regime, the electron mass can also not be neglected. As a result, we have developed a new Monte Carlo event generator for the radiative Moller and Bhabha processes, extending existing soft-photon radiative corrections with new, exact single-photon bremsstrahlung calculations, and including the electron mass:. DarkLight provides us a unique opportunity to study this process experimentally and compare it with our work. As a result, we are preparing a dedicated apparatus consisting of two magnetic spectrometers as part of the first phase of DarkLight in order to directly measure this process. An overview of the calculation and the status of the experiment's construction will be presented.

The boomerang effect in electron-hydrogen molecule scattering as determined by time-dependent calculations

NASA Astrophysics Data System (ADS)

Ben-Asher, Anael; Moiseyev, Nimrod

2017-05-01

The appearance of oscillations in the energy-dependent cross sections of the vibrational excitation ν =0 →ν ≥3 of the hydrogen molecule in its electronic ground state as predicted by Mündel, Berman, and Domcke [Phys. Rev. A 32, 181 (1985)] was confirmed in the electron scattering experiments by Allan [J. Phys. B: At. Mol. Phys. 18, L451 (1985)]. These unusual structures were obtained in spite of the extremely short lifetime of H2- in its ro-vibrational states. Based on the standard (Hermitian) time-independent scattering calculations, Horáček et al. [Phys. Rev. A 73, 022701 (2006)] associated these oscillations with the boomerang effect. Here, we show the boomerang effect as developed in time, based on our time-dependent nuclear wavepacket (WP) calculations. The nuclear WP dynamics of H2- is determined using the non-Hermitian quantum mechanics (NH-QM) which enables the use of the Born-Oppenheimer approximation with complex potential energy surfaces. This NH-QM approach, which enables us the association of the nuclear WP dynamics as obtained from the complex potential energy curve of H2- with the evolution of cross section in time, can enlighten the dynamics in other scattering experiments.

The boomerang effect in electron-hydrogen molecule scattering as determined by time-dependent calculations.

PubMed

Ben-Asher, Anael; Moiseyev, Nimrod

2017-05-28

The appearance of oscillations in the energy-dependent cross sections of the vibrational excitation ν=0→ν≥3 of the hydrogen molecule in its electronic ground state as predicted by Mündel, Berman, and Domcke [Phys. Rev. A 32, 181 (1985)] was confirmed in the electron scattering experiments by Allan [J. Phys. B: At. Mol. Phys. 18, L451 (1985)]. These unusual structures were obtained in spite of the extremely short lifetime of H 2 - in its ro-vibrational states. Based on the standard (Hermitian) time-independent scattering calculations, Horáček et al. [Phys. Rev. A 73, 022701 (2006)] associated these oscillations with the boomerang effect. Here, we show the boomerang effect as developed in time, based on our time-dependent nuclear wavepacket (WP) calculations. The nuclear WP dynamics of H 2 - is determined using the non-Hermitian quantum mechanics (NH-QM) which enables the use of the Born-Oppenheimer approximation with complex potential energy surfaces. This NH-QM approach, which enables us the association of the nuclear WP dynamics as obtained from the complex potential energy curve of H 2 - with the evolution of cross section in time, can enlighten the dynamics in other scattering experiments.

Nuclear matter parameters and optical model analysis of proton elastic scattering on the doubly magic nucleus 40Ca

NASA Astrophysics Data System (ADS)

Khalaf, A. M.; Khalifa, M. M.; Solieman, A. H. M.; Comsan, M. N. H.

2018-01-01

Owing to its doubly magic nature having equal numbers of protons and neutrons, the 40Ca nuclear scattering can be successfully described by the optical model that assumes a spherical nuclear potential. Therefore, optical model analysis was employed to calculate the elastic scattering cross section for p +40Ca interaction at energies from 9 to 22 MeV as well as the polarization at energies from 10 to 18.2 MeV. New optical model parameters (OMPs) were proposed based on the best fitting to experimental data. It is found that the best fit OMPs depend on the energy by smooth relationships. The results were compared with other OMPs sets regarding their chi square values (χ2). The obtained OMP's set was used to calculate the volume integral of the potentials and the root mean square (rms) value of nuclear matter radius of 40Ca. In addition, 40Ca bulk nuclear matter properties were discussed utilizing both the obtained rms radius and the Thomas-Fermi rms radius calculated using spherical Hartree-Fock formalism employing Skyrme type nucleon-nucleon force. The nuclear scattering SCAT2000 FORTRAN code was used for the optical model analysis.

SU-E-T-22: A Deterministic Solver of the Boltzmann-Fokker-Planck Equation for Dose Calculation

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

Hong, X; Gao, H; Paganetti, H

2015-06-15

Purpose: The Boltzmann-Fokker-Planck equation (BFPE) accurately models the migration of photons/charged particles in tissues. While the Monte Carlo (MC) method is popular for solving BFPE in a statistical manner, we aim to develop a deterministic BFPE solver based on various state-of-art numerical acceleration techniques for rapid and accurate dose calculation. Methods: Our BFPE solver is based on the structured grid that is maximally parallelizable, with the discretization in energy, angle and space, and its cross section coefficients are derived or directly imported from the Geant4 database. The physical processes that are taken into account are Compton scattering, photoelectric effect, pairmore » production for photons, and elastic scattering, ionization and bremsstrahlung for charged particles.While the spatial discretization is based on the diamond scheme, the angular discretization synergizes finite element method (FEM) and spherical harmonics (SH). Thus, SH is used to globally expand the scattering kernel and FFM is used to locally discretize the angular sphere. As a Result, this hybrid method (FEM-SH) is both accurate in dealing with forward-peaking scattering via FEM, and efficient for multi-energy-group computation via SH. In addition, FEM-SH enables the analytical integration in energy variable of delta scattering kernel for elastic scattering with reduced truncation error from the numerical integration based on the classic SH-based multi-energy-group method. Results: The accuracy of the proposed BFPE solver was benchmarked against Geant4 for photon dose calculation. In particular, FEM-SH had improved accuracy compared to FEM, while both were within 2% of the results obtained with Geant4. Conclusion: A deterministic solver of the Boltzmann-Fokker-Planck equation is developed for dose calculation, and benchmarked against Geant4. Xiang Hong and Hao Gao were partially supported by the NSFC (#11405105), the 973 Program (#2015CB856000) and the Shanghai Pujiang Talent Program (#14PJ1404500)« less

Level Density in the Complex Scaling Method

NASA Astrophysics Data System (ADS)

Suzuki, R.; Myo, T.; Katō, K.

2005-06-01

It is shown that the continuum level density (CLD) at unbound energies can be calculated with the complex scaling method (CSM), in which the energy spectra of bound states, resonances and continuum states are obtained in terms of L(2) basis functions. In this method, the extended completeness relation is applied to the calculation of the Green functions, and the continuum-state part is approximately expressed in terms of discretized complex scaled continuum solutions. The obtained result is compared with the CLD calculated exactly from the scattering phase shift. The discretization in the CSM is shown to give a very good description of continuum states. We discuss how the scattering phase shifts can inversely be calculated from the discretized CLD using a basis function technique in the CSM.

A method for calculating the dose to a multi-storey building due to radiation scattered from the roof of an adjacent radiotherapy facility.

PubMed

Zavgorodni, S F

2001-09-01

With modern urbanization trends, situations occur where a general-purpose multi-storey building would have to be constructed adjacent to a radiotherapy facility. In cases where the building would not be in the primary x-ray beam, "skyshine" radiation is normally accounted for. The radiation scattered from the roof side-wise towards the building can also be a major contributing factor. However, neither the NCRP reports nor recently published literature considered this. The current paper presents a simple formula to calculate the dose contribution from scattered radiation in such circumstances. This equation includes workload, roof thickness, field size, distance to the reference point and a normalized angular photon distribution function f(theta), where theta is the angle between central axis of the primary beam and photon direction. The latter was calculated by the Monte Carlo method (EGS4 code) for each treatment machine in our department. For angles theta exceeding approximately 20 degrees (i.e., outside the primary beam and its penumbra) the angular distribution function f(theta) was found to have little dependence on the shielding barrier thickness and the beam energy. An analytical approximation of this function has been obtained. Measurements have been performed to verify this calculation technique. An agreement within 40% was found between calculated and measured dose rates. The latter combined the scattered radiation and the dose from "skyshine" radiation. Some overestimation of the dose resulted from uncertainties in the radiotherapy building drawings and in evaluation of the "skyshine" contribution.

Inelastic scattering matrix elements for the nonadiabatic collision B(2P1/2)+H2(1Sigmag+,j)<-->B(2P3/2)+H2(1Sigmag+,j').

PubMed

Weeks, David E; Niday, Thomas A; Yang, Sang H

2006-10-28

Inelastic scattering matrix elements for the nonadiabatic collision B(2P1/2)+H2(1Sigmag+,j)<-->B(2P3/2)+H2(1Sigmag+,j') are calculated using the time dependent channel packet method (CPM). The calculation employs 1 2A', 2 2A', and 1 2A" adiabatic electronic potential energy surfaces determined by numerical computation at the multireference configuration-interaction level [M. H. Alexander, J. Chem. Phys. 99, 6041 (1993)]. The 1 2A' and 2 2A', adiabatic electronic potential energy surfaces are transformed to yield diabatic electronic potential energy surfaces that, when combined with the total B+H2 rotational kinetic energy, yield a set of effective potential energy surfaces [M. H. Alexander et al., J. Chem. Phys. 103, 7956 (1995)]. Within the framework of the CPM, the number of effective potential energy surfaces used for the scattering matrix calculation is then determined by the size of the angular momentum basis used as a representation. Twenty basis vectors are employed for these calculations, and the corresponding effective potential energy surfaces are identified in the asymptotic limit by the H2 rotor quantum numbers j=0, 2, 4, 6 and B electronic states 2Pja, ja=1/2, 3/2. Scattering matrix elements are obtained from the Fourier transform of the correlation function between channel packets evolving in time on these effective potential energy surfaces. For these calculations the H2 bond length is constrained to a constant value of req=1.402 a.u. and state to state scattering matrix elements corresponding to a total angular momentum of J=1/2 are discussed for j=0<-->j'=0,2,4 and 2P1/2<-->2P1/2, 2P3/2 over a range of total energy between 0.0 and 0.01 a.u.

Application of theoretical models to active and passive remote sensing of saline ice

NASA Technical Reports Server (NTRS)

Han, H. C.; Kong, Jin AU; Shin, Robert T.; Nghiem, Son V.; Kwok, R.

1992-01-01

The random medium model is used to interpret the polarimetric active and passive measurements of saline ice. The ice layer is described as a host ice medium embedded with randomly distributed inhomogeneities, and the underlying sea water is considered as a homogeneous half-space. The scatterers in the ice layer are modeled with an ellipsoidal correlation function. The orientation of the scatterers is vertically aligned and azimuthally random. The strong permittivity fluctuation theory is employed to calculate the effective permittivity and the distorted Born approximation is used to obtain the polarimetric scattering coefficients. We also calculate the thermal emissions based on the reciprocity and energy conservation principles. The effects of the random roughness at the air-ice, and ice-water interfaces are accounted for by adding the surface scattering to the volume scattering return incoherently. The above theoretical model, which has been successfully applied to analyze the radar backscatter data of the first-year sea ice near Point Barrow, AK, is used to interpret the measurements performed in the CRRELEX program.

Frequency correlation of probe waves backscattered from small scale ionospheric irregularities generated by high power HF radio waves

NASA Astrophysics Data System (ADS)

Puchkov, V. A.

2016-09-01

Aspect sensitive scattering of multi-frequency probe signals by artificial, magnetic field aligned density irregularities (with transverse size ∼ 1- 10 m) generated in the ionosphere by powerful radio waves is considered. Fluctuations of received signals depending on stochastic properties of the irregularities are calculated. It is shown that in the case of HF probe waves two mechanisms may contribute to the scattered signal fluctuations. The first one is due to the propagation of probe waves in the ionospheric plasma as in a randomly inhomogeneous medium. The second one lies in non-stationary stochastic behavior of irregularities which satisfy the Bragg conditions for the scattering geometry and therefore constitute centers of scattering. In the probe wave frequency band of the order of 10-100 MHz the second mechanism dominates which delivers opportunity to recover some properties of artificial irregularities from received signals. Correlation function of backscattered probe waves with close frequencies is calculated, and it is shown that detailed spatial distribution of irregularities along the scattering vector can be found experimentally from observations of this correlation function.

Elastic scattering, polarization and absorption of relativistic antiprotons on nuclei

NASA Astrophysics Data System (ADS)

Larionov, A. B.; Lenske, H.

2017-01-01

We perform Glauber model calculations of the antiproton-nucleus elastic and quasielastic scattering and absorption in the beam momentum range ∼ 0.5 ÷ 10 GeV / c. A good agreement of our calculations with available LEAR data and with earlier Glauber model studies of the p bar A elastic scattering allows us to make predictions at the beam momenta of ∼10 GeV/c, i.e. at the regime of the PANDA experiment at FAIR. The comparison with the proton-nucleus elastic scattering cross sections shows that the diffractive minima are much deeper in the p bar A case due to smaller absolute value of the ratio of the real-to-imaginary part of the elementary elastic amplitude. Significant polarization signal for p bar A elastic scattering at 10 GeV/c is expected. We have also revealed a strong dependence of the p bar A absorption cross section on the slope parameter of the transverse momentum dependence of the elementary p bar N amplitude. The p bar A optical potential is discussed.

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.

Precision calculation of threshold πd scattering, πN scattering lengths, and the GMO sum rule

NASA Astrophysics Data System (ADS)

Baru, V.; Hanhart, C.; Hoferichter, M.; Kubis, B.; Nogga, A.; Phillips, D. R.

2011-12-01

We use chiral perturbation theory (ChPT) to calculate the πd scattering length with an accuracy of a few percent, including isospin-violating corrections in both the two- and three-body sectors. In particular, we provide the technical details of a recent letter (Baru et al., 2011) [1], where we used data on pionic deuterium and pionic hydrogen atoms to extract the isoscalar and isovector pion-nucleon scattering lengths a and a. We study isospin-breaking contributions to the three-body part of a due to mass differences, isospin violation in the πN scattering lengths, and virtual photons. This last class of effects is ostensibly infrared enhanced due to the smallness of the deuteron binding energy. However, we show that the leading virtual-photon effects that might undergo such enhancement cancel, and hence the standard ChPT counting provides a reliable estimate of isospin violation in a due to virtual photons. Finally, we discuss the validity of the Goldberger-Miyazawa-Oehme sum rule in the presence of isospin violation, and use it to determine the charged-pion-nucleon coupling constant.

Neutron scattering in the proximate quantum spin liquid α-RuCl3.

PubMed

Banerjee, Arnab; Yan, Jiaqiang; Knolle, Johannes; Bridges, Craig A; Stone, Matthew B; Lumsden, Mark D; Mandrus, David G; Tennant, David A; Moessner, Roderich; Nagler, Stephen E

2017-06-09

The Kitaev quantum spin liquid (KQSL) is an exotic emergent state of matter exhibiting Majorana fermion and gauge flux excitations. The magnetic insulator α-RuCl 3 is thought to realize a proximate KQSL. We used neutron scattering on single crystals of α-RuCl 3 to reconstruct dynamical correlations in energy-momentum space. We discovered highly unusual signals, including a column of scattering over a large energy interval around the Brillouin zone center, which is very stable with temperature. This finding is consistent with scattering from the Majorana excitations of a KQSL. Other, more delicate experimental features can be transparently associated with perturbations to an ideal model. Our results encourage further study of this prototypical material and may open a window into investigating emergent magnetic Majorana fermions in correlated materials. Copyright © 2017, American Association for the Advancement of Science.

Polymerization of anionic wormlike micelles.

PubMed

Zhu, Zhiyuan; González, Yamaira I; Xu, Hangxun; Kaler, Eric W; Liu, Shiyong

2006-01-31

Polymerizable anionic wormlike micelles are obtained upon mixing the hydrotropic salt p-toluidine hydrochloride (PTHC) with the reactive anionic surfactant sodium 4-(8-methacryloyloxyoctyl)oxybenzene sulfonate (MOBS). Polymerization captures the cross-sectional radius of the micelles (approximately 2 nm), induces micellar growth, and leads to the formation of a stable single-phase dispersion of wormlike micellar polymers. The unpolymerized and polymerized micelles were characterized using static and dynamic laser light scattering, small-angle neutron scattering, 1H NMR, and stopped-flow light scattering. Stopped-flow light scattering was also used to measure the average lifetime of the unpolymerized wormlike micelles. A comparison of the average lifetime of unpolymerized wormlike micelles with the surfactant monomer propagation rate was used to elucidate the mechanism of polymerization. There is a significant correlation between the ratio of the average lifetime to the monomer propagation rate and the average aggregation number of the polymerized wormlike micelles.

Elastic and inelastic collisions of swarms

NASA Astrophysics Data System (ADS)

Armbruster, Dieter; Martin, Stephan; Thatcher, Andrea

2017-04-01

Scattering interactions of swarms in potentials that are generated by an attraction-repulsion model are studied. In free space, swarms in this model form a well-defined steady state describing the translation of a stable formation of the particles whose shape depends on the interaction potential. Thus, the collision between a swarm and a boundary or between two swarms can be treated as (quasi)-particle scattering. Such scattering experiments result in internal excitations of the swarm or in bound states, respectively. In addition, varying a parameter linked to the relative importance of damping and potential forces drives transitions between elastic and inelastic scattering of the particles. By tracking the swarm's center of mass, a refraction rule is derived via simulations relating the incoming and outgoing directions of a swarm hitting the wall. Iterating the map derived from the refraction law allows us to predict and understand the dynamics and bifurcations of swarms in square boxes and in channels.

First-principles calculations reveal controlling principles for carrier mobilities in semiconductors

DOE PAGES

Wu, Yu -Ning; Zhang, Xiaoguang; Pantelides, Sokrates T.; ...

2016-10-11

It has long been believed that carrier mobilities in semiconductors can be calculated by Fermi s golden rule (Born approximation). Phenomenological models for scattering amplitudes are typically used for engineering- level device modeling. Here we introduce a parameter-free, first-principles approach based on complex- wavevector energy bands that does not invoke the Born approximation. We show that phonon-limited mobility is controlled by low-resistivity percolation paths and that in ionized-impurity scattering one must account for the effect of the screening charge, which cancels most of the Coulomb tail.Finally, calculated electron mobilities in silicon are in agreement with experimental data.

Spinor helicity methods in high-energy factorization: Efficient momentum-space calculations in the Color Glass Condensate formalism

NASA Astrophysics Data System (ADS)

Ayala, Alejandro; Hentschinski, Martin; Jalilian-Marian, Jamal; Tejeda-Yeomans, Maria Elena

2017-07-01

We use the spinor helicity formalism to calculate the cross section for production of three partons of a given polarization in Deep Inelastic Scattering (DIS) off proton and nucleus targets at small Bjorken x. The target proton or nucleus is treated as a classical color field (shock wave) from which the produced partons scatter multiple times. We reported our result for the final expression for the production cross section and studied the azimuthal angular correlations of the produced partons in [1]. Here we provide the full details of the calculation of the production cross section using the spinor helicity methods.

Calculation of Transverse-Momentum-Dependent Evolution for Sivers Transverse Single Spin Asymmetry Measurements

NASA Astrophysics Data System (ADS)

Aybat, S. Mert; Prokudin, Alexei; Rogers, Ted C.

2012-06-01

The Sivers transverse single spin asymmetry (TSSA) is calculated and compared at different scales using the transverse-momentum-dependent (TMD) evolution equations applied to previously existing extractions. We apply the Collins-Soper-Sterman (CSS) formalism, using the version recently developed by Collins. Our calculations rely on the universality properties of TMD functions that follow from the TMD-factorization theorem. Accordingly, the nonperturbative input is fixed by earlier experimental measurements, including both polarized semi-inclusive deep inelastic scattering (SIDIS) and unpolarized Drell-Yan (DY) scattering. It is shown that recent preliminary COMPASS measurements are consistent with the suppression prescribed by TMD evolution.

Post DSAEK Optical Changes: A Comprehensive Prospective Analysis on the Role of Ocular Wavefront Aberrations, Haze, and Corneal Thickness

PubMed Central

Hindman, Holly B.; Huxlin, Krystel R.; Pantanelli, Seth M.; Callan, Christine L.; Sabesan, Ramkumar; Ching, Steven S.T.; Miller, Brooke E.; Martin, Tim; Yoon, Geunyoung

2014-01-01

Purpose To assess the visual impact of ocular wavefront aberrations, corneal thickness, and corneal light scatter prospectively after Descemet’s Stripping Automated Endothelial Keratoplasty (DSAEK) in humans. Methods Data were obtained prospectively from 20 eyes pre-operatively and at 1, 3, 6, and 12 months post- DSAEK. At each visit, best spectacle corrected visual acuity (BSCVA) and visual acuity with glare (Brightness Acuity Testing - BAT) were recorded and ocular wavefront measurements and corneal Optical Coherence Tomography (OCT) performed. Magnitude and sign of individual Zernike terms (higher order aberrations HOA) were determined. Epithelial, host stromal, donor stromal, and total corneal thickness were quantified. Brightness, intensity profiles of OCT images were generated to quantify light scatter in the whole cornea, subepithelial region, anterior and posterior host stroma, interface, and donor stroma. Results Mean BSCVA and glare disability at low light levels improved from 1 to 12 months post-DSAEK. All corneal thicknesses and ocular lower- and HOAs were stable from 1 through 12 months, whereas total corneal, host stromal, and interface brightness intensities decreased significantly over the same period. A repeated measures ANOVA across the follow up period found that the change in scatter, but not the change in higher order aberrations, could account for the variability occurring in acuity from 1 to 12 months post-DSAEK. Conclusions While ocular HOAs and scatter are both elevated over normal post-DSAEK, our results demonstrate that improvements in visual performance occurring over the first year post-DSAEK are associated with decreasing light scatter. In contrast, there were no significant changes in ocular HOAs during this time. Because corneal light scatter decreased between 1 and 12 months despite stable corneal thicknesses over the same period, we conclude that factors that induced light scatter, other than tissue thickness or swelling (corneal edema), significantly impacted the visual improvements that occurred over time post-DSAEK. A better understanding of the cellular and extracellular matrix changes of the subepithelial region and interface, incurred by the surgical creation of a lamellar host -graft interface, and the subsequent healing of these tissues, is warranted. PMID:24162748

Asymptotic Solutions for Optical Properties of Large Particles with Strong Absorption

NASA Technical Reports Server (NTRS)

Yang, Ping; Gao, Bo-Cai; Baum, Bryan A.; Hu, Yong X.; Wiscombe, Warren J.; Mishchenko, Michael I.; Winker, Dave M.; Nasiri, Shaima L.; Einaudi, Franco (Technical Monitor)

2000-01-01

For scattering calculations involving nonspherical particles such as ice crystals, we show that the transverse wave condition is not applicable to the refracted electromagnetic wave in the context of geometric optics when absorption is involved. Either the TM wave condition (i.e., where the magnetic field of the refracted wave is transverse with respect to the wave direction) or the TE wave condition (i.e., where the electric field is transverse with respect to the propagating direction of the wave) may be assumed for the refracted wave in an absorbing medium to locally satisfy the electromagnetic boundary condition in the ray tracing calculation. The wave mode assumed for the refracted wave affects both the reflection and refraction coefficients. As a result, a nonunique solution for these coefficients is derived from the electromagnetic boundary condition. In this study we have identified the appropriate solution for the Fresnel reflection/refraction coefficients in light scattering calculation based on the ray tracing technique. We present the 3 x 2 refraction or transmission matrix that completely accounts for the inhomogeneity of the refracted wave in an absorbing medium. Using the Fresnel coefficients for an absorbing medium, we derive an asymptotic solution in an analytical format for the scattering properties of a general polyhedral particle. Numerical results are presented for hexagonal plates and columns with both preferred and random orientations. The asymptotic theory can produce reasonable accuracy in the phase function calculations in the infrared window region (wavelengths near 10 micron) if the particle size (in diameter) is on the order of 40 micron or larger. However, since strong absorption is assumed in the computation of the single-scattering albedo in the asymptotic theory, the single scattering albedo does not change with variation of the particle size. As a result, the asymptotic theory can lead to substantial errors in the computation of single-scattering albedo for small and moderate particle sizes. However, from comparison of the asymptotic results with the FDTD solution, it is expected that a convergence between the FDTD results and the asymptotic theory results can be reached when the particle size approaches 200 micron. We show that the phase function at side-scattering and backscattering angles is insensitive to particle shape if the random orientation condition is assumed. However, if preferred orientations are assumed for particles, the phase function has a strong dependence on scattering azimuthal angle. The single-scattering albedo also shows very strong dependence on the inclination angle of incident radiation with respect to the rotating axis for the preferred particle orientations.

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

NASA Technical Reports Server (NTRS)

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

1993-01-01

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

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.

Direct detection of sub-GeV dark matter with semiconductor targets

DOE PAGES

Essig, Rouven; Fernández-Serra, Marivi; Mardon, Jeremy; ...

2016-05-09

Dark matter in the sub-GeV mass range is a theoretically motivated but largely unexplored paradigm. Such light masses are out of reach for conventional nuclear recoil direct detection experiments, but may be detected through the small ionization signals caused by dark matter-electron scattering. Semiconductors are well-studied and are particularly promising target materials because their O(1 eV) band gaps allow for ionization signals from dark matter particles as light as a few hundred keV. Current direct detection technologies are being adapted for dark matter-electron scattering. In this paper, we provide the theoretical calculations for dark matter-electron scattering rate in semiconductors, overcomingmore » several complications that stem from the many-body nature of the problem. We use density functional theory to numerically calculate the rates for dark matter-electron scattering in silicon and germanium, and estimate the sensitivity for upcoming experiments such as DAMIC and SuperCDMS. We find that the reach for these upcoming experiments has the potential to be orders of magnitude beyond current direct detection constraints and that sub-GeV dark matter has a sizable modulation signal. We also give the first direct detection limits on sub-GeV dark matter from its scattering off electrons in a semiconductor target (silicon) based on published results from DAMIC. We make available publicly our code, QEdark, with which we calculate our results. Our results can be used by experimental collaborations to calculate their own sensitivities based on their specific setup. In conclusion, the searches we propose will probe vast new regions of unexplored dark matter model and parameter space.« less

Satellite Estimation of Spectral Surface UV Irradiance. 2; Effect of Horizontally Homogeneous Clouds

NASA Technical Reports Server (NTRS)

Krothov, N.; Herman, J. R.; Bhartia, P. K.; Ahmad, Z.a; Fioletov, V.

1998-01-01

The local variability of UV irradiance at the Earth's surface is mostly caused by clouds in addition to the seasonal variability. Parametric representations of radiative transfer RT calculations are presented for the convenient solution of the transmission T of ultraviolet radiation through plane parallel clouds over a surface with reflectivity R(sub s). The calculations are intended for use with the Total Ozone Mapping Spectrometer (TOMS) measured radiances to obtain the calculated Lambert equivalent scene reflectivity R for scenes with and without clouds. The purpose is to extend the theoretical analysis of the estimation of UV irradiance from satellite data for a cloudy atmosphere. Results are presented for a range of cloud optical depths and solar zenith angles for the cases of clouds over a low reflectivity surface R(sub s) less than 0.1, over a snow or ice surface R(sub s) greater than 0.3, and for transmission through a non-conservative scattering cloud with single scattering albedo omega(sub 0) = 0.999. The key finding for conservative scattering is that the cloud-transmission function C(sub T), the ratio of cloudy-to clear-sky transmission, is roughly C(sub T) = 1 - R(sub c) with an error of less than 20% for nearly overhead sun and snow-free surfaces. For TOMS estimates of UV irradiance in the presence of both snow and clouds, independent information about snow albedo is needed for conservative cloud scattering. For non-conservative scattering with R(sub s) greater than 0.5 (snow) the satellite measured scene reflectance cannot be used to estimate surface irradiance. The cloud transmission function has been applied to the calculation of UV irradiance at the Earth's surface and compared with ground-based measurements.

EXTERNAL COMPTON SCATTERING IN BLAZAR JETS AND THE LOCATION OF THE GAMMA-RAY EMITTING REGION

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

Finke, Justin D., E-mail: justin.finke@nrl.navy.mil

2016-10-20

I study the location of the γ -ray emission in blazar jets by creating a Compton-scattering approximation that is valid for all anisotropic radiation fields in the Thomson through Klein–Nishina regimes, is highly accurate, and can speed up numerical calculations by up to a factor of ∼10. I apply this approximation to synchrotron self-Compton, external Compton scattering of photons from the accretion disk, broad line region (BLR), and dust torus. I use a stratified BLR model and include detailed Compton-scattering calculations of a spherical and flattened BLR. I create two dust torus models, one where the torus is an annulusmore » and one where it is an extended disk. I present detailed calculations of the photoabsorption optical depth using my detailed BLR and dust torus models, including the full angle dependence. I apply these calculations to the emission from a relativistically moving blob traveling through these radiation fields. The ratio of γ -ray to optical flux produces a predictable pattern that could help locate the γ -ray emission region. I show that the bright flare from 3C 454.3 in 2010 November detected by the Fermi Large Area Telescope is unlikely to originate from a single blob inside the BLR. This is because it moves outside the BLR in a time shorter than the flare duration, although emission by multiple blobs inside the BLR is possible. Also, γ -rays are unlikely to originate from outside of the BLR, due to the scattering of photons from an extended dust torus, since the cooling timescale would be too long to explain the observed short variability.« less

Portal scatter to primary dose ratio of 4 to 18 MV photon spectra incident on heterogeneous phantoms

NASA Astrophysics Data System (ADS)

Ozard, Siobhan R.

Electronic portal imagers designed and used to verify the positioning of a cancer patient undergoing radiation treatment can also be employed to measure the in vivo dose received by the patient. This thesis investigates the ratio of the dose from patient-scattered particles to the dose from primary (unscattered) photons at the imaging plane, called the scatter to primary dose ratio (SPR). The composition of the SPR according to the origin of scatter is analyzed more thoroughly than in previous studies. A new analytical method for calculating the SPR is developed and experimentally verified for heterogeneous phantoms. A novel technique that applies the analytical SPR method for in vivo dosimetry with a portal imager is evaluated. Monte Carlo simulation was used to determine the imager dose from patient-generated electrons and photons that scatter one or more times within the object. The database of SPRs reported from this investigation is new since the contribution from patient-generated electrons was neglected by previous Monte Carlo studies. The SPR from patient-generated electrons was found here to be as large as 0.03. The analytical SPR method relies on the established result that the scatter dose is uniform for an air gap between the patient and the imager that is greater than 50 cm. This method also applies the hypothesis that first-order Compton scatter only, is sufficient for scatter estimation. A comparison of analytical and measured SPRs for neck, thorax, and pelvis phantoms showed that the maximum difference was within +/-0.03, and the mean difference was less than +/-0.01 for most cases. This accuracy was comparable to similar analytical approaches that are limited to homogeneous phantoms. The analytical SPR method could replace lookup tables of measured scatter doses that can require significant time to measure. In vivo doses were calculated by combining our analytical SPR method and the convolution/superposition algorithm. Our calculated in vivo doses agreed within +/-3% with the doses measured in the phantom. The present in vivo method was faster compared to other techniques that use convolution/superposition. Our method is a feasible and satisfactory approach that contributes to on-line patient dose monitoring.

Improved Convergence Rate of Multi-Group Scattering Moment Tallies for Monte Carlo Neutron Transport Codes

NASA Astrophysics Data System (ADS)

Nelson, Adam

Multi-group scattering moment matrices are critical to the solution of the multi-group form of the neutron transport equation, as they are responsible for describing the change in direction and energy of neutrons. These matrices, however, are difficult to correctly calculate from the measured nuclear data with both deterministic and stochastic methods. Calculating these parameters when using deterministic methods requires a set of assumptions which do not hold true in all conditions. These quantities can be calculated accurately with stochastic methods, however doing so is computationally expensive due to the poor efficiency of tallying scattering moment matrices. This work presents an improved method of obtaining multi-group scattering moment matrices from a Monte Carlo neutron transport code. This improved method of tallying the scattering moment matrices is based on recognizing that all of the outgoing particle information is known a priori and can be taken advantage of to increase the tallying efficiency (therefore reducing the uncertainty) of the stochastically integrated tallies. In this scheme, the complete outgoing probability distribution is tallied, supplying every one of the scattering moment matrices elements with its share of data. In addition to reducing the uncertainty, this method allows for the use of a track-length estimation process potentially offering even further improvement to the tallying efficiency. Unfortunately, to produce the needed distributions, the probability functions themselves must undergo an integration over the outgoing energy and scattering angle dimensions. This integration is too costly to perform during the Monte Carlo simulation itself and therefore must be performed in advance by way of a pre-processing code. The new method increases the information obtained from tally events and therefore has a significantly higher efficiency than the currently used techniques. The improved method has been implemented in a code system containing a new pre-processor code, NDPP, and a Monte Carlo neutron transport code, OpenMC. This method is then tested in a pin cell problem and a larger problem designed to accentuate the importance of scattering moment matrices. These tests show that accuracy was retained while the figure-of-merit for generating scattering moment matrices and fission energy spectra was significantly improved.

XUV and x-ray elastic scattering of attosecond electromagnetic pulses on atoms

NASA Astrophysics Data System (ADS)

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

2017-12-01

Elastic scattering of electromagnetic pulses on atoms in XUV and soft x-ray ranges is considered for ultra-short pulses. The inclusion of the retardation term, non-dipole interaction and an efficient scattering tensor approximation allowed studying the scattering probability in dependence of the pulse duration for different carrier frequencies. Numerical calculations carried out for Mg, Al and Fe atoms demonstrate that the scattering probability is a highly nonlinear function of the pulse duration and has extrema for pulse carrier frequencies in the vicinity of the resonance-like features of the polarization charge spectrum. Closed expressions for the non-dipole correction and the angular dependence of the scattered radiation are obtained.

Mixed quantum/classical theory for inelastic scattering of asymmetric-top-rotor + atom in the body-fixed reference frame and application to the H₂O + He system.

PubMed

Semenov, Alexander; Dubernet, Marie-Lise; Babikov, Dmitri

2014-09-21

The mixed quantum/classical theory (MQCT) for inelastic molecule-atom scattering developed recently [A. Semenov and D. Babikov, J. Chem. Phys. 139, 174108 (2013)] is extended to treat a general case of an asymmetric-top-rotor molecule in the body-fixed reference frame. This complements a similar theory formulated in the space-fixed reference-frame [M. Ivanov, M.-L. Dubernet, and D. Babikov, J. Chem. Phys. 140, 134301 (2014)]. Here, the goal was to develop an approximate computationally affordable treatment of the rotationally inelastic scattering and apply it to H2O + He. We found that MQCT is somewhat less accurate at lower scattering energies. For example, below E = 1000 cm(-1) the typical errors in the values of inelastic scattering cross sections are on the order of 10%. However, at higher scattering energies MQCT method appears to be rather accurate. Thus, at scattering energies above 2000 cm(-1) the errors are consistently in the range of 1%-2%, which is basically our convergence criterion with respect to the number of trajectories. At these conditions our MQCT method remains computationally affordable. We found that computational cost of the fully-coupled MQCT calculations scales as n(2), where n is the number of channels. This is more favorable than the full-quantum inelastic scattering calculations that scale as n(3). Our conclusion is that for complex systems (heavy collision partners with many internal states) and at higher scattering energies MQCT may offer significant computational advantages.

A Fast Hyperspectral Vector Radiative Transfer Model in UV to IR spectral bands

NASA Astrophysics Data System (ADS)

Ding, J.; Yang, P.; Sun, B.; Kattawar, G. W.; Platnick, S. E.; Meyer, K.; Wang, C.

2016-12-01

We develop a fast hyperspectral vector radiative transfer model with a spectral range from UV to IR with 5 nm resolutions. This model can simulate top of the atmosphere (TOA) diffuse radiance and polarized reflectance by considering gas absorption, Rayleigh scattering, and aerosol and cloud scattering. The absorption component considers several major atmospheric absorbers such as water vapor, CO2, O3, and O2 including both line and continuum absorptions. A regression-based method is used to parameterize the layer effective optical thickness for each gas, which substantially increases the computation efficiency for absorption while maintaining high accuracy. This method is over 500 times faster than the existing line-by-line method. The scattering component uses the successive order of scattering (SOS) method. For Rayleigh scattering, convergence is fast due to the small optical thickness of atmospheric gases. For cloud and aerosol layers, a small-angle approximation method is used in SOS calculations. The scattering process is divided into two parts, a forward part and a diffuse part. The scattering in the small-angle range in the forward direction is approximated as forward scattering. A cloud or aerosol layer is divided into thin layers. As the ray propagates through each thin layer, a portion diverges as diffuse radiation, while the remainder continues propagating in forward direction. The computed diffuse radiance is the sum of all of the diffuse parts. The small-angle approximation makes the SOS calculation converge rapidly even in a thick cloud layer.

Faddeev calculations of. pi. D scattering

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

Thomas, A.W.

1976-01-01

The present status of the Faddeev calculations of ..pi..D scattering is summarized, with emphasis on what has been learned about common approximation methods (for ..pi..-nucleus as well as ..pi..D). Some space is devoted to a discussion of the theoretical work which remains, including a suggestion of co-operation between theorists on a ''homework'' problem. Finally, examples of the interesting phenomena are given which one hopes to investigate through good ..pi..D experiments. Suggestions are made as to which experiments would be most useful.

The temperature dependence of inelastic light scattering from small particles for use in combustion diagnostic instrumentation

NASA Technical Reports Server (NTRS)

Cloud, Stanley D.

1987-01-01

A computer calculation of the expected angular distribution of coherent anti-Stokes Raman scattering (CARS) from micrometer size polystyrene spheres based on a Mie-type model, and a pilot experiment to test the feasibility of measuring CARS angular distributions from micrometer size polystyrene spheres by simply suspending them in water are discussed. The computer calculations predict a very interesting structure in the angular distributions that depends strongly on the size and relative refractive index of the spheres.

The integration of improved Monte Carlo compton scattering algorithms into the Integrated TIGER Series.

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

Quirk, Thomas, J., IV

2004-08-01

The Integrated TIGER Series (ITS) is a software package that solves coupled electron-photon transport problems. ITS performs analog photon tracking for energies between 1 keV and 1 GeV. Unlike its deterministic counterpart, the Monte Carlo calculations of ITS do not require a memory-intensive meshing of phase space; however, its solutions carry statistical variations. Reducing these variations is heavily dependent on runtime. Monte Carlo simulations must therefore be both physically accurate and computationally efficient. Compton scattering is the dominant photon interaction above 100 keV and below 5-10 MeV, with higher cutoffs occurring in lighter atoms. In its current model of Comptonmore » scattering, ITS corrects the differential Klein-Nishina cross sections (which assumes a stationary, free electron) with the incoherent scattering function, a function dependent on both the momentum transfer and the atomic number of the scattering medium. While this technique accounts for binding effects on the scattering angle, it excludes the Doppler broadening the Compton line undergoes because of the momentum distribution in each bound state. To correct for these effects, Ribbefor's relativistic impulse approximation (IA) will be employed to create scattering cross section differential in both energy and angle for each element. Using the parameterizations suggested by Brusa et al., scattered photon energies and angle can be accurately sampled at a high efficiency with minimal physical data. Two-body kinematics then dictates the electron's scattered direction and energy. Finally, the atomic ionization is relaxed via Auger emission or fluorescence. Future work will extend these improvements in incoherent scattering to compounds and to adjoint calculations.« less

Quantum theory for the dynamic structure factor in correlated two-component systems in nonequilibrium: Application to x-ray scattering.

PubMed

Vorberger, J; Chapman, D A

2018-01-01

We present a quantum theory for the dynamic structure factors in nonequilibrium, correlated, two-component systems such as plasmas or warm dense matter. The polarization function, which is needed as the input for the calculation of the structure factors, is calculated in nonequilibrium based on a perturbation expansion in the interaction strength. To make our theory applicable for x-ray scattering, a generalized Chihara decomposition for the total electron structure factor in nonequilibrium is derived. Examples are given and the influence of correlations and exchange on the structure and the x-ray-scattering spectrum are discussed for a model nonequilibrium distribution, as often encountered during laser heating of materials, as well as for two-temperature systems.

Quantum theory for the dynamic structure factor in correlated two-component systems in nonequilibrium: Application to x-ray scattering

NASA Astrophysics Data System (ADS)

Vorberger, J.; Chapman, D. A.

2018-01-01

We present a quantum theory for the dynamic structure factors in nonequilibrium, correlated, two-component systems such as plasmas or warm dense matter. The polarization function, which is needed as the input for the calculation of the structure factors, is calculated in nonequilibrium based on a perturbation expansion in the interaction strength. To make our theory applicable for x-ray scattering, a generalized Chihara decomposition for the total electron structure factor in nonequilibrium is derived. Examples are given and the influence of correlations and exchange on the structure and the x-ray-scattering spectrum are discussed for a model nonequilibrium distribution, as often encountered during laser heating of materials, as well as for two-temperature systems.

Optimization of fringe-type laser anemometers for turbine engine component testing

NASA Technical Reports Server (NTRS)

Seasholtz, R. G.; Oberle, L. G.; Weikle, D. H.

1984-01-01

The fringe type laser anemometer is analyzed using the Cramer-Rao bound for the variance of the estimate of the Doppler frequency as a figure of merit. Mie scattering theory is used to calculate the Doppler signal wherein both the amplitude and phase of the scattered light are taken into account. The noise from wall scatter is calculated using the wall bidirectional reflectivity and the irradiance of the incident beams. A procedure is described to determine the optimum aperture mask for the probe volume located a given distance from a wall. The expected performance of counter type processors is also discussed in relation to the Cramer-Rao bound. Numerical examples are presented for a coaxial backscatter anemometer.

Neutron scattering cross section measurements for Fe 56

DOE PAGES

Ramirez, A. P. D.; Vanhoy, J. R.; Hicks, S. F.; ...

2017-06-09

Elastic and inelastic differential cross sections for neutron scattering from 56Fe have been measured for several incident energies from 1.30 to 7.96 MeV at the University of Kentucky Accelerator Laboratory. Scattered neutrons were detected using a C 6D 6 liquid scintillation detector using pulse-shape discrimination and time-of-flight techniques. The deduced cross sections have been compared with previously reported data, predictions from evaluation databases ENDF, JENDL, and JEFF, and theoretical calculations performed using different optical model potentials using the TALYS and EMPIRE nuclear reaction codes. The coupled-channel calculations based on the vibrational and soft-rotor models are found to describe the experimentalmore » (n,n 0) and (n,n 1) cross sections well.« less

Two-Nucleon Systems in a Finite Volume

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

Briceno, Raul

2014-11-01

I present the formalism and methodology for determining the nucleon-nucleon scattering parameters from the finite volume spectra obtained from lattice quantum chromodynamics calculations. Using the recently derived energy quantization conditions and the experimentally determined scattering parameters, the bound state spectra for finite volume systems with overlap with the 3S1-3D3 channel are predicted for a range of volumes. It is shown that the extractions of the infinite-volume deuteron binding energy and the low-energy scattering parameters, including the S-D mixing angle, are possible from Lattice QCD calculations of two-nucleon systems with boosts of |P| <= 2pi sqrt{3}/L in volumes with spatial extentsmore » L satisfying fm <~ L <~ 14 fm.« less

Neutron scattering cross section measurements for 56Fe

NASA Astrophysics Data System (ADS)

Ramirez, A. P. D.; Vanhoy, J. R.; Hicks, S. F.; McEllistrem, M. T.; Peters, E. E.; Mukhopadhyay, S.; Harrison, T. D.; Howard, T. J.; Jackson, D. T.; Lenzen, P. D.; Nguyen, T. D.; Pecha, R. L.; Rice, B. G.; Thompson, B. K.; Yates, S. W.

2017-06-01

Elastic and inelastic differential cross sections for neutron scattering from 56Fe have been measured for several incident energies from 1.30 to 7.96 MeV at the University of Kentucky Accelerator Laboratory. Scattered neutrons were detected using a C6D6 liquid scintillation detector using pulse-shape discrimination and time-of-flight techniques. The deduced cross sections have been compared with previously reported data, predictions from evaluation databases ENDF, JENDL, and JEFF, and theoretical calculations performed using different optical model potentials using the talys and empire nuclear reaction codes. The coupled-channel calculations based on the vibrational and soft-rotor models are found to describe the experimental (n ,n0 ) and (n ,n1 ) cross sections well.

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.

Raman scattering in the atmospheres of the major planets

NASA Technical Reports Server (NTRS)

Cochran, W. D.; Trafton, L. M.

1978-01-01

A technique is developed to calculate the detailed effects of Raman scattering in an inhomogeneous anisotropically scattering atmosphere. The technique is applied to evaluations of Raman scattering by H2 in the atmosphere of the major planets. It is noted that Raman scattering produces an insufficient decrease in the blue and ultraviolet regions to explain the albedos of all planets investigated. For all major planets, the filling-in of solar line cores and the generation of the Raman-shifted ghosts of the Fraunhofer spectrum are observed. With regard to Uranus and Neptune, Raman scattering is seen to exert a major influence on the formation and profile of strong red and near infrared CH4 bands, and Raman scattering by H2 explains the residual intensity in the cores of these bands. Raman scattering by H2 must also be taken into account in the scattering of photons into the cores of saturated absorption bands.

Angle-resolved light scattering of individual rod-shaped bacteria based on Fourier transform light scattering

NASA Astrophysics Data System (ADS)

Jo, Youngju; Jung, Jaehwang; Lee, Jee Woong; Shin, Della; Park, Hyunjoo; Nam, Ki Tae; Park, Ji-Ho; Park, Yongkeun

2014-05-01

Two-dimensional angle-resolved light scattering maps of individual rod-shaped bacteria are measured at the single-cell level. Using quantitative phase imaging and Fourier transform light scattering techniques, the light scattering patterns of individual bacteria in four rod-shaped species (Bacillus subtilis, Lactobacillus casei, Synechococcus elongatus, and Escherichia coli) are measured with unprecedented sensitivity in a broad angular range from -70° to 70°. The measured light scattering patterns are analyzed along the two principal axes of rod-shaped bacteria in order to systematically investigate the species-specific characteristics of anisotropic light scattering. In addition, the cellular dry mass of individual bacteria is calculated and used to demonstrate that the cell-to-cell variations in light scattering within bacterial species is related to the cellular dry mass and growth.

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

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.

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

Effect of Rayleigh-scattering distributed feedback on multiwavelength Raman fiber laser generation.

PubMed

El-Taher, A E; Harper, P; Babin, S A; Churkin, D V; Podivilov, E V; Ania-Castanon, J D; Turitsyn, S K

2011-01-15

We experimentally demonstrate a Raman fiber laser based on multiple point-action fiber Bragg grating reflectors and distributed feedback via Rayleigh scattering in an ~22-km-long optical fiber. Twenty-two lasing lines with spacing of ~100 GHz (close to International Telecommunication Union grid) in the C band are generated at the watt level. In contrast to the normal cavity with competition between laser lines, the random distributed feedback cavity exhibits highly stable multiwavelength generation with a power-equalized uniform distribution, which is almost independent on power.

Stimulated Raman scattering microscopy by Nyquist modulation of a two-branch ultrafast fiber source.

PubMed

Riek, Claudius; Kocher, Claudius; Zirak, Peyman; Kölbl, Christoph; Fimpel, Peter; Leitenstorfer, Alfred; Zumbusch, Andreas; Brida, Daniele

2016-08-15

A highly stable setup for stimulated Raman scattering (SRS) microscopy is presented. It is based on a two-branch femtosecond Er:fiber laser operating at a 40 MHz repetition rate. One of the outputs is directly modulated at the Nyquist frequency with an integrated electro-optic modulator (EOM). This compact source combines a jitter-free pulse synchronization with a broad tunability and allows for shot-noise limited SRS detection. The performance of the SRS microscope is illustrated with measurements on samples from material science and cell biology.

Hadron scattering, resonances, and QCD

NASA Astrophysics Data System (ADS)

Briceño, R. A.

2016-11-01

The non-perturbative nature of quantum chromodynamics (QCD) has historically left a gap in our understanding of the connection between the fundamental theory of the strong interactions and the rich structure of experimentally observed phenomena. For the simplest properties of stable hadrons, this is now circumvented with the use of lattice QCD (LQCD). In this talk I discuss a path towards a rigorous determination of few-hadron observables from LQCD. I illustrate the power of the methodology by presenting recently determined scattering amplitudes in the light-meson sector and their resonance content.

Electron- and positron-impact atomic scattering calculations using propagating exterior complex scaling

NASA Astrophysics Data System (ADS)

Bartlett, P. L.; Stelbovics, A. T.; Rescigno, T. N.; McCurdy, C. W.

2007-11-01

Calculations are reported for four-body electron-helium collisions and positron-hydrogen collisions, in the S-wave model, using the time-independent propagating exterior complex scaling (PECS) method. The PECS S-wave calculations for three-body processes in electron-helium collisions compare favourably with previous convergent close-coupling (CCC) and time-dependent exterior complex scaling (ECS) calculations, and exhibit smooth cross section profiles. The PECS four-body double-excitation cross sections are significantly different from CCC calculations and highlight the need for an accurate representation of the resonant helium final-state wave functions when undertaking these calculations. Results are also presented for positron-hydrogen collisions in an S-wave model using an electron-positron potential of V12 = - (8 + (r1 - r2)2)-1/2. This model is representative of the full problem, and the results demonstrate that ECS-based methods can accurately calculate scattering, ionization and positronium formation cross sections in this three-body rearrangement collision.

FT-IR, FT-Raman, UV spectra and DFT calculations on monomeric and dimeric structure of 2-amino-5-bromobenzoic acid.

PubMed

Karabacak, Mehmet; Cinar, Mehmet

2012-02-01

In this work, the molecular conformation, vibrational and electronic transition analysis of 2-amino-5-bromobenzoic acid (2A5BrBA) were presented for the ground state using experimental techniques (FT-IR, FT-Raman and UV) and density functional theory (DFT) employing B3LYP exchange correlation with the 6-311++G(d,p) basis set. FT-IR and FT-Raman spectra were recorded in the regions of 400-4000 cm(-1) and 50-4000 cm(-1), respectively. There are four conformers, C1, C2, C3 and C4 for this molecule. The geometrical parameters, energies and wavenumbers have been obtained for all four conformers. The computational results diagnose the most stable conformer of 2A5BrBA as the C1 form. The complete assignments of fundamental vibrations were performed on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method. Raman activities calculated by DFT method have been converted to the corresponding Raman intensities using Raman scattering theory. The UV spectra of investigated compound were recorded in the region of 200-400 nm for ethanol and water solutions. The electronic properties were evaluated with help of time-dependent DFT (TD-DFT) theoretically and results were compared with experimental observations. The thermodynamic properties of the studied compound at different temperatures were calculated, revealing the correlations between standard heat capacity, standard entropy, standard enthalpy changes and temperatures. The observed and the calculated geometric parameters, vibrational wavenumbers and electronic transitions were compared with observed data and found to be in good agreement. Copyright © 2011 Elsevier B.V. All rights reserved.

Systematic analysis of inelastic α scattering off self-conjugate A =4 n nuclei

NASA Astrophysics Data System (ADS)

Adachi, S.; Kawabata, T.; Minomo, K.; Kadoya, T.; Yokota, N.; Akimune, H.; Baba, T.; Fujimura, H.; Fujiwara, M.; Funaki, Y.; Furuno, T.; Hashimoto, T.; Hatanaka, K.; Inaba, K.; Ishii, Y.; Itoh, M.; Iwamoto, C.; Kawase, K.; Maeda, Y.; Matsubara, H.; Matsuda, Y.; Matsuno, H.; Morimoto, T.; Morita, H.; Murata, M.; Nanamura, T.; Ou, I.; Sakaguchi, S.; Sasamoto, Y.; Sawada, R.; Shimizu, Y.; Suda, K.; Tamii, A.; Tameshige, Y.; Tsumura, M.; Uchida, M.; Uesaka, T.; Yoshida, H. P.; Yoshida, S.

2018-01-01

We systematically measured the differential cross sections of inelastic α scattering off self-conjugate A =4 n nuclei at two incident energies Eα=130 MeV and 386 MeV at Research Center for Nuclear Physics, Osaka University. The measured cross sections were analyzed by the distorted-wave Born-approximation (DWBA) calculation using the single-folding potentials, which are obtained by folding macroscopic transition densities with the phenomenological α N interaction. The DWBA calculation with the density-dependent α N interaction systematically overestimates the cross sections for the Δ L =0 transitions. However, the DWBA calculation using the density-independent α N interaction reasonably well describes all the transitions with Δ L =0 -4. We examined uncertainties in the present DWBA calculation stemming from the macroscopic transition densities, distorting potentials, phenomenological α N interaction, and coupled channel effects in 12C. It was found that the DWBA calculation is not sensitive to details of the transition densities nor the distorting potentials, and the phenomenological density-independent α N interaction gives reasonable results. The coupled-channel effects are negligibly small for the 21+ and 31- states in 12C, but not for the 02+ state. However, the DWBA calculation using the density-independent interaction at Eα=386 MeV is still reasonable even for the 02+ state. We concluded that the macroscopic DWBA calculations using the density-independent interaction are reliably applicable to the analysis of inelastic α scattering at Eα˜100 MeV /u .

SU-E-T-59: Calculations of Collimator Scatter Factors (Sc) with and Without Custom-Made Build-Up Caps for CyberKnife

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

Wokoma, S; Yoon, J; Jung, J

2014-06-01

Purpose: To investigate the impact of custom-made build-up caps for a diode detector in robotic radiosurgery radiation fields with variable collimator (IRIS) for collimator scatter factor (Sc) calculation. Methods: An acrylic cap was custom-made to fit our SFD (IBA Dosimetry, Germany) diode detector. The cap has thickness of 5 cm, corresponding to a depth beyond electron contamination. IAEA phase space data was used for beam modeling and DOSRZnrc code was used to model the detector. The detector was positioned at 80 cm source-to-detector distance. Calculations were performed with the SFD, with and without the build-up cap, for clinical IRIS settingsmore » ranging from 7.5 to 60 mm. Results: The collimator scatter factors were calculated with and without 5 cm build-up cap. They were agreed within 3% difference except 15 mm cone. The Sc factor for 15 mm cone without buildup was 13.2% lower than that with buildup. Conclusion: Sc data is a critical component in advanced algorithms for treatment planning in order to calculate the dose accurately. After incorporating build-up cap, we discovered differences of up to 13.2 % in Sc factors in the SFD detector, when compared against in-air measurements without build-up caps.« less

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

Chen, Xi; Mou, Xuanqin; Nishikawa, Robert M.

Purpose: Small calcifications are often the earliest and the main indicator of breast cancer. Dual-energy digital mammography (DEDM) has been considered as a promising technique to improve the detectability of calcifications since it can be used to suppress the contrast between adipose and glandular tissues of the breast. X-ray scatter leads to erroneous calculations of the DEDM image. Although the pinhole-array interpolation method can estimate scattered radiations, it requires extra exposures to measure the scatter and apply the correction. The purpose of this work is to design an algorithmic method for scatter correction in DEDM without extra exposures.Methods: In thismore » paper, a scatter correction method for DEDM was developed based on the knowledge that scattered radiation has small spatial variation and that the majority of pixels in a mammogram are noncalcification pixels. The scatter fraction was estimated in the DEDM calculation and the measured scatter fraction was used to remove scatter from the image. The scatter correction method was implemented on a commercial full-field digital mammography system with breast tissue equivalent phantom and calcification phantom. The authors also implemented the pinhole-array interpolation scatter correction method on the system. Phantom results for both methods are presented and discussed. The authors compared the background DE calcification signals and the contrast-to-noise ratio (CNR) of calcifications in the three DE calcification images: image without scatter correction, image with scatter correction using pinhole-array interpolation method, and image with scatter correction using the authors' algorithmic method.Results: The authors' results show that the resultant background DE calcification signal can be reduced. The root-mean-square of background DE calcification signal of 1962 μm with scatter-uncorrected data was reduced to 194 μm after scatter correction using the authors' algorithmic method. The range of background DE calcification signals using scatter-uncorrected data was reduced by 58% with scatter-corrected data by algorithmic method. With the scatter-correction algorithm and denoising, the minimum visible calcification size can be reduced from 380 to 280 μm.Conclusions: When applying the proposed algorithmic scatter correction to images, the resultant background DE calcification signals can be reduced and the CNR of calcifications can be improved. This method has similar or even better performance than pinhole-array interpolation method in scatter correction for DEDM; moreover, this method is convenient and requires no extra exposure to the patient. Although the proposed scatter correction method is effective, it is validated by a 5-cm-thick phantom with calcifications and homogeneous background. The method should be tested on structured backgrounds to more accurately gauge effectiveness.« less

Hadronic light-by-light scattering contribution to the muon g - 2 on the lattice

NASA Astrophysics Data System (ADS)

Asmussen, Nils; Gérardin, Antoine; Green, Jeremy; Gryniuk, Oleksii; von Hippel, Georg; Meyer, Harvey B.; Nyffeler, Andreas; Pascalutsa, Vladimir; Wittig, Hartmut

2018-05-01

We briefly review several activities at Mainz related to hadronic light-by-light scattering (HLbL) using lattice QCD. First we present a position-space approach to the HLbL contribution in the muon g̅2, where we focus on exploratory studies of the pion-pole contribution in a simple model and the lepton loop in QED in the continuum and in infinite volume. The second part describes a lattice calculation of the double-virtual pion transition form factor Fπ0γ*γ* (q21; q21) in the spacelike region with photon virtualities up to 1.5 GeV2 which paves the way for a lattice calculation of the pion-pole contribution to HLbL. The third topic involves HLbL forward scattering amplitudes calculated in lattice QCD which can be described, using dispersion relations (HLbL sum rules), by γ*γ* → hadrons fusion cross sections and then compared with phenomenological models.

Inelastic scattering of neutron-rich Ni and Zn isotopes off a proton target

NASA Astrophysics Data System (ADS)

Cortés, M. L.; Doornenbal, P.; Dupuis, M.; Lenzi, S. M.; Nowacki, F.; Obertelli, A.; Péru, S.; Pietralla, N.; Werner, V.; Wimmer, K.; Authelet, G.; Baba, H.; Calvet, D.; Château, F.; Corsi, A.; Delbart, A.; Gheller, J.-M.; Gillibert, A.; Isobe, T.; Lapoux, V.; Louchart, C.; Matsushita, M.; Momiyama, S.; Motobayashi, T.; Niikura, M.; Otsu, H.; Péron, C.; Peyaud, A.; Pollacco, E. C.; Roussé, J.-Y.; Sakurai, H.; Santamaria, C.; Sasano, M.; Shiga, Y.; Takeuchi, S.; Taniuchi, R.; Uesaka, T.; Wang, H.; Yoneda, K.; Browne, F.; Chung, L. X.; Dombradi, Zs.; Franchoo, S.; Giacoppo, F.; Gottardo, A.; Hadynska-Klek, K.; Korkulu, Z.; Koyama, S.; Kubota, Y.; Lee, J.; Lettmann, M.; Lozeva, R.; Matsui, K.; Miyazaki, T.; Nishimura, S.; Olivier, L.; Ota, S.; Patel, Z.; Sahin, E.; Shand, C. M.; Söderström, P.-A.; Stefan, I.; Steppenbeck, D.; Sumikama, T.; Suzuki, D.; Vajta, Zs.; Wu, J.; Xu, Z.

2018-04-01

Proton inelastic scattering of Ni,7472 and Zn,8076 ions at energies around 235 MeV/nucleon was performed at the Radioactive Isotope Beam Factory and studied using γ -ray spectroscopy. Angular integrated cross sections for direct inelastic scattering to the 21+ and 41+ states were measured. The Jeukenne-Lejeune-Mahaux folding model, extended beyond 200 MeV, was used together with neutron and proton densities stemming from quasiparticle random-phase approximation (QRPA) calculations to interpret the experimental cross sections and to infer neutron to proton matrix element ratios. In addition, coupled-channels calculations with a phenomenological potential were used to determine deformation lengths. For the Ni isotopes, correlations favor neutron excitations, thus conserving the Z =28 gap. A dominance of proton excitation, on the other hand, is observed in the Zn isotopes, pointing to the conservation of the N =50 gap approaching 78Ni. These results are in agreement with QRPA and large-scale shell-model calculations.

A first-principles analysis of ballistic conductance, grain boundary scattering and vertical resistance in aluminum interconnects

NASA Astrophysics Data System (ADS)

Zhou, Tianji; Lanzillo, Nicholas A.; Bhosale, Prasad; Gall, Daniel; Quon, Roger

2018-05-01

We present an ab initio evaluation of electron scattering mechanisms in Al interconnects from a back-end-of-line (BEOL) perspective. We consider the ballistic conductance as a function of nanowire size, as well as the impact of surface oxidation on electron transport. We also consider several representative twin grain boundaries and calculate the specific resistivity and reflection coefficients for each case. Lastly, we calculate the vertical resistance across the Al/Ta(N)/Al and Cu/Ta(N)/Cu interfaces, which are representative of typical vertical interconnect structures with diffusion barriers. Despite a high ballistic conductance, the calculated specific resistivities at grain boundaries are 70-100% higher in Al than in Cu, and the vertical resistance across Ta(N) diffusion barriers are 60-100% larger for Al than for Cu. These results suggest that in addition to the well-known electromigration limitations in Al interconnects, electron scattering represents a major problem in achieving low interconnect line resistance at fine dimensions.

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.

MO-FG-CAMPUS-JeP1-05: Water Equivalent Path Length Calculations Using Scatter-Corrected Head and Neck CBCT Images to Evaluate Patients for Adaptive Proton Therapy

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

Kim, J; Park, Y; Sharp, G

Purpose: To establish a method to evaluate the dosimetric impact of anatomic changes in head and neck patients during proton therapy by using scatter-corrected cone-beam CT (CBCT) images. Methods: The water equivalent path length (WEPL) was calculated to the distal edge of PTV contours by using tomographic images available for six head and neck patients received photon therapy. The proton range variation was measured by calculating the difference between the distal WEPLs calculated with the planning CT and weekly treatment CBCT images. By performing an automatic rigid registration, six degrees-of-freedom (DOF) correction was made to the CBCT images to accountmore » for the patient setup uncertainty. For accurate WEPL calculations, an existing CBCT scatter correction algorithm, whose performance was already proven for phantom images, was calibrated for head and neck patient images. Specifically, two different image similarity measures, mutual information (MI) and mean square error (MSE), were tested for the deformable image registration (DIR) in the CBCT scatter correction algorithm. Results: The impact of weight loss was reflected in the distal WEPL differences with the aid of the automatic rigid registration reducing the influence of patient setup uncertainty on the WEPL calculation results. The WEPL difference averaged over distal area was 2.9 ± 2.9 (mm) across all fractions of six patients and its maximum, mostly found at the last available fraction, was 6.2 ± 3.4 (mm). The MSE-based DIR successfully registered each treatment CBCT image to the planning CT image. On the other hand, the MI-based DIR deformed the skin voxels in the planning CT image to the immobilization mask in the treatment CBCT image, most of which was cropped out of the planning CT image. Conclusion: The dosimetric impact of anatomic changes was evaluated by calculating the distal WEPL difference with the existing scatter-correction algorithm appropriately calibrated. Jihun Kim, Yang-Kyun Park, Gregory Sharp, and Brian Winey have received grant support from the NCI Federal Share of program income earned by Massachusetts General Hospital on C06 CA059267, Proton Therapy Research and Treatment Center.« less

Method of virtual quanta and gravitational radiation

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

Matzner, R.A.; Nutku, Y.

1974-02-01

The radio signals received from pulsars are pulses which are frequently broadened as a result of scattering in the interstellar medium. This broadening is examined theoretically using a diffraction theory of wave propagation in weakly irregular media. The theory is valid for all distances in the scattering medium, and particular attention is paid to the transition from the regime where single scattering predominates to that where all the radiation has been multiply- scattered. Typical pulse shapes are calculated and the results are compared with the theory of pulse broadening based on geometrical optics which represents the limiting case for extrememore » multiple scatter. (auth)« less

Mie-type scattering and non-Beer-Lambert absorption behavior of human cells in infrared microspectroscopy.

PubMed

Mohlenhoff, Brian; Romeo, Melissa; Diem, Max; Wood, Bayden R

2005-05-01

We report infrared microspectral features of nuclei in a completely inactive and contracted (pyknotic) state, and of nuclei of actively dividing cells. For pyknotic nuclei, the very high local concentration of DNA leads to opaqueness of the chromatin and, consequently, the absence of DNA signals in the IR spectra of very small nuclei. However, these nuclei can be detected by their scattering properties, which can be described by the Mie theory of scattering from dielectric spheres. This scattering depends on the size of the nucleus; consequently, quite different scattering cross-sections are calculated and observed for pyknotic and mitotic nuclei.

The Construction of Compton Tensors in Scalar QED

DOE PAGES

Bakker, Bernard L. G.; Ji, Chueng-Ryong

2016-12-09

Current conservation is a vital condition in electrodynamics. For this paper, we review the literature concerning the ways to ensure that the formalism used in calculating amplitudes for the scattering of charged particles is in compliance with current conservation. For the case of electron scattering off a scalar and a spin-1/2 target as well as Compton scattering on a scalar target, we present some novelties besides reviewing the literature.

Solution of electromagnetic scattering problems using time domain techniques

NASA Technical Reports Server (NTRS)

Britt, Charles L.

1989-01-01

New methods are developed to calculate the electromagnetic diffraction or scattering characteristics of objects of arbitrary material and shape. The methods extend the efforts of previous researchers in the use of finite-difference and pulse response techniques. Examples are given of the scattering from infinite conducting and nonconducting cylinders, open channel, sphere, cone, cone sphere, coated disk, open boxes, and open and closed finite cylinders with axially incident waves.

Theory of raman scattering from molecules adsorbed at semiconductor surfaces

NASA Astrophysics Data System (ADS)

Ueba, H.

1983-09-01

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