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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 433 records · Page 24

Tests of cosmic ray radiography for power industry applications

In this report, we assess muon multiple scattering tomography as a non-destructive inspection technique in several typical areas of interest to the nuclear power industry, including monitoring concrete degradation, gate valve conditions, and pipe wall thickness. This work is motivated by the need for imaging methods that do not require the licensing, training, and safety controls of x-rays, and by the need to be able to penetrate considerable overburden to examine internal details of components that are otherwise inaccessible, with minimum impact on industrial operations. In some scenarios, we find that muon tomography may be an attractive alternative to more typical measurements.

36 MATERIALS SCIENCE↗

Fast multipurpose Monte Carlo simulation for proton therapy using multi- and many-core CPU architectures

Purpose: Accuracy in proton therapy treatment planning can be improved using Monte Carlo (MC) simulations. However the long computation time of such methods hinders their use in clinical routine. This work aims to develop a fast multipurpose Monte Carlo simulation tool for proton therapy using massively parallel central processing unit (CPU) architectures. Methods: A new Monte Carlo, called MCsquare (many-core Monte Carlo), has been designed and optimized for the last generation of Intel Xeon processors and Intel Xeon Phi coprocessors. These massively parallel architectures offer the flexibility and the computational power suitable to MC methods. The class-II condensed history algorithm of MCsquare provides a fast and yet accurate method of simulating heavy charged particles such as protons, deuterons, and alphas inside voxelized geometries. Hard ionizations, with energy losses above a user-specified threshold, are simulated individually while soft events are regrouped in a multiple scattering theory. Elastic and inelastic nuclear interactions are sampled from ICRU 63 differential cross sections, thereby allowing for the computation of prompt gamma emission profiles. MCsquare has been benchmarked with the GATE/GEANT4 Monte Carlo application for homogeneous and heterogeneous geometries. Results: Comparisons with GATE/GEANT4 for various geometries show deviations within 2%–1 mm. In spite of the limited memory bandwidth of the coprocessor simulation time is below 25 s for 10{sup 7} primary 200 MeV protons in average soft tissues using all Xeon Phi and CPU resources embedded in a single desktop unit. Conclusions: MCsquare exploits the flexibility of CPU architectures to provide a multipurpose MC simulation tool. Optimized code enables the use of accurate MC calculation within a reasonable computation time, adequate for clinical practice. MCsquare also simulates prompt gamma emission and can thus be used also for in vivo range verification.

60 APPLIED LIFE SCIENCES↗

High-precision predictions of properties of chemically disordered crystals

Multiple scattering theory (MST) combined with density functional theory (DFT) allows to predict properties of chemically disordered materials from the first principles. However, such predictions often suffer from the systematic errors, which depend on crystal geometry. Each computed property of a particular crystal structure typically has a relatively small random error and a larger systematic error. Cancellation of systematic errors allows more accurate predictions. We propose a computational methodology based on the subtraction of the systematic errors in MST. To exemplify it, we apply it to the precipitated alloys. Considering precipitation strengthening in Ni superalloys, we compute the relative enthalpies of the competing Ni_3(Al_{1-x}Ti_x)_1 crystal structures with a chemical disorder on the Al+Ti sublattice. Such predicted composition-structure-property dependencies are useful for the guided design of the next-generation alloys with improved strength. Our predictions are validated by comparison with the results of other DFT methods (having a higher computational cost) and with experiment.

density functional theory↗

SU-C-BRC-06: OpenCL-Based Cross-Platform Monte Carlo Simulation Package for Carbon Ion Therapy

Purpose: Monte Carlo (MC) simulation is considered to be the most accurate method for calculation of absorbed dose and fundamental physical quantities related to biological effects in carbon ion therapy. Its long computation time impedes clinical and research applications. We have developed an MC package, goCMC, on parallel processing platforms, aiming at achieving accurate and efficient simulations for carbon therapy. Methods: goCMC was developed under OpenCL framework. It supported transport simulation in voxelized geometry with kinetic energy up to 450 MeV/u. Class II condensed history algorithm was employed for charged particle transport with stopping power computed via Bethe-Bloch equation. Secondary electrons were not transported with their energy locally deposited. Energy straggling and multiple scattering were modeled. Production of secondary charged particles from nuclear interactions was implemented based on cross section and yield data from Geant4. They were transported via the condensed history scheme. goCMC supported scoring various quantities of interest e.g. physical dose, particle fluence, spectrum, linear energy transfer, and positron emitting nuclei. Results: goCMC has been benchmarked against Geant4 with different phantoms and beam energies. For 100 MeV/u, 250 MeV/u and 400 MeV/u beams impinging to a water phantom, range difference was 0.03 mm, 0.20 mm and 0.53 mm, and mean dose difference was 0.47%, 0.72% and 0.79%, respectively. goCMC can run on various computing devices. Depending on the beam energy and voxel size, it took 20∼100 seconds to simulate 10{sup 7} carbons on an AMD Radeon GPU card. The corresponding CPU time for Geant4 with the same setup was 60∼100 hours. Conclusion: We have developed an OpenCL-based cross-platform carbon MC simulation package, goCMC. Its accuracy, efficiency and portability make goCMC attractive for research and clinical applications in carbon therapy.

60 APPLIED LIFE SCIENCES↗

JRC-IRMM/ORNL Collaboration on Nuclear Data for Nuclear Criticality Safety - 14486

Concerns about using cross sections recommended in the main evaluated data libraries (i.e. ENDF/B, JEFF and JENDL) for nuclear criticality calculations have been a prime motivator for new cross section measurements. The measurements and evaluations discussed in this work are part of a collaboration between the Oak Ridge National Laboratory (ORNL) and the Institute for Reference Material and Measurements of the Joint Research Center (JRC-IRMM) of the European Commission (EC). They are performed in response to the US Nuclear Criticality Safety Program (NCSP) data needs. In particular, the NCSP five-year plan encompasses a listing of elements that have been identified for measurements and evaluations to address issues on criticality safety applications. This listing is based on data deficiency concerns in practical applications that are conveyed by criticality safety practitioners. In general these deficiencies are obtained through the analysis of benchmark calculations. A wealth of evaluations in the main libraries were derived from results of measurements made with poor time-of-flight resolution, and also the description of some data in the neutron energy range above several tens of keV is crude. This impacts both the resolved and unresolved resonance region, and leads to bias effects when resonance structures play an important role. As a consequence only average corrections can be applied in calculations for nuclear criticality calculations where self-shielding, multiple scattering, or Doppler broadening are important. This can lead to erroneous results. Furthermore, many evaluations for nuclides having small neutron-capture cross sections show erroneously high cross sections because the influence of the neutron sensitivity of the old measurement systems was underestimated. Although their neutron capture cross sections are small, these nuclides, if occurring in large amounts, can be important absorbers in criticality calculations, so an accurate determination of these cross sections is required. Over the last seven years the JRC-IRMM/ORNL collaboration has produced many neutron induced cross section data using the Geel Electron Linear Accelerator (GELINA) neutron time-of-flight facility. This facility is ideally suited to measure total, fission and capture cross sections in the energy range from 1 eV to ∼600 keV, which is important for nuclear criticality calculations. In this paper the facility and experimental set-ups at GELINA will be described together with the data reduction and analysis procedures which result in experimental observables including their full covariance information. The importance of combining transmission and partial cross section data will be emphasized. We will give a list of the measured nuclides and discuss the impact of the resulting data and evaluations. (authors)

42 ENGINEERING↗

Multimode theory of plasmon excitation at a metal – photonic crystal interface

Surface plasmon excitation at a photonic crystal – metal interface is studied taking into account multiple scattering of an initial light wave on a periodical crystal structure. The analysis is focused on calculating characteristics of the eigenwaves in a one-dimensional crystal, which comprise a set of harmonics with the wavevectors separated from each other by the value of the crystal lattice wavevector. Reflection from the crystal – metal interface binds the amplitudes of propagating and evanescent modes. Calculations show that for the dielectric characteristics of a synthetic opal and a substrate made of a real metal with a ruby laser radiation used as the initial wave, the fulfilment of plasmon resonance conditions leads to a local increase in the surface plasmon amplitude by a factor of 6.4 – 9 as compared to the average amplitude of the initial wave. As a rule, the effect can only be obtained for a single surface wave, all other waves being substantially weaker than the main plasmon. There is a specific case where the resonance condition holds for two modes simultaneously. In this case, two oppositely directed fluxes of equal intensity are generated at the interface. The resonance condition breaks at a small deviation of the incident angle of the initial wave θ from the normal direction (|θ| ⩾ 10{sup −4} rad). In the latter case, the picture is asymmetric: at angles |θ| ⩾ 5 × 10{sup −3} rad, only one plasmon remains intensive. The local density of electromagnetic energy at the photonic crystal – metal interface may exceed the corresponding value of the initial wave by a factor of 40 – 80. (surface plasmons)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Comparative analysis of proton and pion scattering on the isotopes {sup 6,8}He within Glauber theory

The differential cross sections for p{sup 6,8}He and p{sup 6,8}He scattering at the RIKEN andGSI energies (0.073 and 0.7 GeV per nucleon) were calculated on the basis of Glauber theory. Pion and proton interaction with a nucleus is determined by the multiple-scattering series (Glauber operator), so that various collision multiplicities and their contributions to the summed cross section can be taken into account. The use of the α-n-n wave function for {sup 6}He and the wave function on the basis of the large-scale shell model (LSSM) for {sup 8}He makes it possible to calculate analytically scattering matrix elements.

74 ATOMIC AND MOLECULAR PHYSICS↗

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

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 potential effects in group V elements and noble metals are thoroughly investigated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ocean color spectrum calculations

The development is considered of procedures for measuring a number of subsurface oceanographic parameters using remotely sensed ocean color data. It is proposed that the first step in this effort should be the development of adequate theoretical models relating the desired oceanographic parameters to the upwelling radiances to be observed. A portion of a contributory theoretical model is shown to be described by a modified single scattering approach based upon a simple treatment of multiple scattering. The resulting quasi-single scattering model can be used to predict the upwelling distribution of spectral radiance emerging from the sea. The shape of the radiance spectrum predicted by this model for clear ocean water shows encouraging agreement with measurments made at the edge of the Sargasso Sea off Cape Hatteras.

Mccluney, W. R.↗

Ocean color spectrum calculations

There is obvious value in developing the means for measuring a number of subsurface oceanographic parameters using remotely sensed ocean color data. The first step in this effort should be the development of adequate theoretical models relating the desired oceanographic parameters to the upwelling radiances to be observed. A portion of a contributory theoretical model can be described by a modified single scattering approach based on a simple treatment of multiple scattering. The resulting quasisingle scattering model can be used to predict the upwelling distribution of spectral radiance emerging from the sea. The shape of the radiance spectrum predicted by this model for clear ocean water shows encouraging agreement with measurements made at the edge of the Sargasso Sea off Cape Hatteras.

Mccluney, W. R.↗

A Superposition Technique for Deriving Photon Scattering Statistics in Plane-Parallel Cloudy Atmospheres

Photon transport in a multiple scattering medium is critically dependent on scattering statistics, in particular the average number of scatterings. A superposition technique is derived to accurately determine the average number of scatterings encountered by reflected and transmitted photons within arbitrary layers in plane-parallel, vertically inhomogeneous clouds. As expected, the resulting scattering number profiles are highly dependent on cloud particle absorption and solar/viewing geometry. The technique uses efficient adding and doubling radiative transfer procedures, avoiding traditional time-intensive Monte Carlo methods. Derived superposition formulae are applied to a variety of geometries and cloud models, and selected results are compared with Monte Carlo calculations. Cloud remote sensing techniques that use solar reflectance or transmittance measurements generally assume a homogeneous plane-parallel cloud structure. The scales over which this assumption is relevant, in both the vertical and horizontal, can be obtained from the superposition calculations. Though the emphasis is on photon transport in clouds, the derived technique is applicable to any scattering plane-parallel radiative transfer problem, including arbitrary combinations of cloud, aerosol, and gas layers in the atmosphere.

Platnick, S.↗

Millimeter wave satellite communication studies. Results of the 1981 propagation modeling effort

Theoretical modeling associated with rain effects on millimeter wave propagation is detailed. Three areas of work are discussed. A simple model for prediction of rain attenuation is developed and evaluated. A method for computing scattering from single rain drops is presented. A complete multiple scattering model is described which permits accurate calculation of the effects on dual polarized signals passing through rain.

Stutzman, W. L.↗

The OMPS Limb Profiler Instrument: Two-Dimensional Retrieval Algorithm

The upcoming Ozone Mapper and Profiler Suite (OMPS), which will be launched on the NPOESS Preparatory Project (NPP) platform in early 2011, will continue monitoring the global distribution of the Earth's middle atmosphere ozone and aerosol. OMPS is composed of three instruments, namely the Total Column Mapper (heritage: TOMS, OMI), the Nadir Profiler (heritage: SBUV) and the Limb Profiler (heritage: SOLSE/LORE, OSIRIS, SCIAMACHY, SAGE III). The ultimate goal of the mission is to better understand and quantify the rate of stratospheric ozone recovery. The focus of the paper will be on the Limb Profiler (LP) instrument. The LP instrument will measure the Earth's limb radiance (which is due to the scattering of solar photons by air molecules, aerosol and Earth surface) in the ultra-violet (UV), visible and near infrared, from 285 to 1000 nm. The LP simultaneously images the whole vertical extent of the Earth's limb through three vertical slits, each covering a vertical tangent height range of 100 km and each horizontally spaced by 250 km in the cross-track direction. Measurements are made every 19 seconds along the orbit track, which corresponds to a distance of about 150km. Several data analysis tools are presently being constructed and tested to retrieve ozone and aerosol vertical distribution from limb radiance measurements. The primary NASA algorithm is based on earlier algorithms developed for the SOLSE/LORE and SAGE III limb scatter missions. All the existing retrieval algorithms rely on a spherical symmetry assumption for the atmosphere structure. While this assumption is reasonable in most of the stratosphere, it is no longer valid in regions of prime scientific interest, such as polar vortex and UTLS regions. The paper will describe a two-dimensional retrieval algorithm whereby the ozone distribution is simultaneously retrieved vertically and horizontally for a whole orbit. The retrieval code relies on (1) a forward 2D Radiative Transfer code (to model limb radiances within a non-uniform atmosphere and evaluate 2D analytical partial derivatives) and (2) an optimal estimator inversion routine. The algorithm uses the typically sparse nature of the kernel matrices as well as fast matrix inversion techniques to allow for fast inversion of limb data with efficient memory management (as was done for MIPAS data processing). While the method has so far only been developed in the context of Single Scatter, the paper will show how the CPU intensive Multiple Scatter modeling can be implemented using parallel CPU processing. Initial results will be presented in terms of retrieved ozone profiles and code performance.

Rault, Didier F.↗

Determination of Atmospheric Aerosol Characteristics from the Polarization of Scattered Radiation

Aerosols affect the polarization of radiation in scattering, hence measured polarization can be used to infer the nature of the particles. Size distribution, particle shape, real and absorption parts of the complex refractive index affect the scattering. From Lorenz-Mie calculations of the 4-Stokes parameters as a function of scattering angle for various wavelengths the following polarization parameters were plotted: total intensity, intensity of polarization in plane of observation, intensity perpendicular to the plane of observation, polarization ratio, polarization (using all 4-Stokes parameters), plane of the polarization ellipse and its ellipticity. A six-component log-Gaussian size distribution model was used to study the effects of the nature of the polarization due to variations in the size distribution and complex refractive index. Though a rigorous inversion from measurements of scattering to detailed specification of aerosol characteristics is not possible, considerable information about the nature of the aerosols can be obtained. Only single scattering from aerosols was used in this paper. Also, the background due to Rayleigh gas scattering, the reduction of effects as a result of multiple scattering and polarization effects of possible ground background (airborne platforms) were not included.

Harris, F. S., Jr.↗

Background optimization of powder electron diffraction for implementation of the e-PDF technique and study of the local structure of iron oxide nanocrystals

The local structural characterization of iron oxide nanoparticles is explored using a total scattering analysis method known as pair distribution function (PDF) (also known as reduced density function) analysis. The PDF profiles are derived from background-corrected powder electron diffraction patterns (the e-PDF technique). Due to the strong Coulombic interaction between the electron beam and the sample, electron diffraction generally leads to multiple scattering, causing redistribution of intensities towards higher scattering angles and an increased background in the diffraction profile. In addition to this, the electron–specimen interaction gives rise to an undesirable inelastic scattering signal that contributes primarily to the background. The present work demonstrates the efficacy of a pre-treatment of the underlying complex background function, which is a combination of both incoherent multiple and inelastic scatterings that cannot be identical for different electron beam energies. Therefore, two different background subtraction approaches are proposed for the electron diffraction patterns acquired at 80 kV and 300 kV beam energies. From the least-square refinement (small-box modelling), both approaches are found to be very promising, leading to a successful implementation of the e-PDF technique to study the local structure of the considered nanomaterial.

36 MATERIALS SCIENCE↗

Phased Microphone Array on Aircraft Fuselage

This paper studies some challenging features for phased microphone arrays on aircraft fuselage, including the effects of sound scattering such as refraction by nonuniform boundary layer flows, reflection by curved surfaces, and diffraction by sharp edges and smooth geometry. The objective is to show if and how source locations and source amplitudes can be accurately captured by the array data analysis, in the presence of these features. The study starts with canonical problems to separately examine the individual features, making use of their respective analytical solutions, which provide exact results for all quantities needed for the array data processing. To simulate realistic flight environments, a generic aircraft geometry is then utilized, involving multiple scattering mechanisms and multiple noise sources to model aircraft engine noise. For this application, numerical solutions are computed to provide noise propagation and scattering from the sources to the microphones, as well as the quantities needed for array data analysis. The study reveals the effects of various features on fuselage-mounted arrays and provides guidelines to account for these effects in array data analysis.

Yueping Guo↗

Rayleigh, Raman and particulate scattering

Analysis of the visible and near infrared spectra of planetary atmospheres and the multiple scattering of photons within the atmosphere are discussed. Photons detected within the spectral region are solar photons which were scattered by the gas and particles in the planetary atmosphere. An example is given for the incident and emitted fluxes for a hypothetical planet with an effective temperature of 100 K. The absorption spectrum of the planetary atmosphere is discussed in terms of the various scattering processes photons undergo within the atmosphere. Three different physical processes are considered. Rayleigh scattering and Raman scattering by the gas molecules, and scattering by any cloud or dust aerosol particles in the atmosphere. The physics of each of these processes is examined.

Cochran, W. D.↗

Medium-induced radiative kernel with the Improved Opacity Expansion

We calculate the fully differential medium-induced radiative spectrum at next-to-leading order (NLO) accuracy within the Improved Opacity Expansion (IOE) framework. This scheme allows us to gain analytical control of the radiative spectrum at low and high gluon frequencies simultaneously. The high frequency regime can be obtained in the standard opacity expansion framework in which the resulting power series diverges at the characteristic frequency ω c ~ q^L 2 . In the IOE, all orders in opacity are resumed systematically below ωc yielding an asymptotic series controlled by logarithmically suppressed remainders down to the thermal scale T « ω c , while matching the opacity expansion at high frequency. Furthermore, we demonstrate that the IOE at NLO accuracy reproduces the characteristic Coulomb tail of the single hard scattering contribution as well as the Gaussian distribution resulting from multiple soft momentum exchanges. Finally, we compare our analytic scheme with a recent numerical solution, that includes a full resummation of multiple scatterings, for LHC-inspired medium parameters. Furthermore, we find a very good agreement both at low and high frequencies showcasing the performance of the IOE which provides for the first time accurate analytic formulas for radiative energy loss in the relevant perturbative kinematic regimes for dense media.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗