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At least 577 records · Page 32

Initial-Boundary Value Problem for the Non-Stationary Radiative Transfer Equation with Fresnel Reflection and Refraction Conditions

We consider the initial-boundary value problems for the nonstationary radiative transfer equation in a system of semitransparent bodies with boundary and initial data in the complete scale of Lebesgue spaces. We establish the unique solvability of the first initial-boundary value problem, the problem with “shooting conditions,” and the problem with Fresnel reflection and refraction conditions on the body boundaries.

97 MATHEMATICS AND COMPUTING↗

Logistical Consideration in Computer-Based Screening of Astronaut Applicants

This presentation reviews the logistical, ergonomic, and psychometric issues and data related to the development and operational use of a computer-based system for the psychological screening of astronaut applicants. The Behavioral Health and Performance Group (BHPG) at the Johnson Space Center upgraded its astronaut psychological screening and selection procedures for the 1999 astronaut applicants and subsequent astronaut selection cycles. The questionnaires, tests, and inventories were upgraded from a paper-and-pencil system to a computer-based system. Members of the BHPG and a computer programmer designed and developed needed interfaces (screens, buttons, etc.) and programs for the astronaut psychological assessment system. This intranet-based system included the user-friendly computer-based administration of tests, test scoring, generation of reports, the integration of test administration and test output to a single system, and a complete database for past, present, and future selection data. Upon completion of the system development phase, four beta and usability tests were conducted with the newly developed system. The first three tests included 1 to 3 participants each. The final system test was conducted with 23 participants tested simultaneously. Usability and ergonomic data were collected from the system (beta) test participants and from 1999 astronaut applicants who volunteered the information in exchange for anonymity. Beta and usability test data were analyzed to examine operational, ergonomic, programming, test administration and scoring issues related to computer-based testing. Results showed a preference for computer-based testing over paper-and -pencil procedures. The data also reflected specific ergonomic, usability, psychometric, and logistical concerns that should be taken into account in future selection cycles. Conclusion. Psychological, psychometric, human and logistical factors must be examined and considered carefully when developing and using a computer-based system for psychological screening and selection.

Galarza, Laura↗

The effects of the physical and chemical properties of soils on the spectral reflectance of soils

The effects of organic matter, free iron oxides, texture, moisture content, and cation exchange capacity on the spectral reflectance of soils were investigated along with techniques for differentiating soil orders by computer analysis of multispectral data. By collecting soil samples of benchmark soils from the different climatic regions within the United States and using the extended wavelength field spectroradiometer to obtain reflectance values and curves for each sample, average curves were constructed for each soil order. Results indicate that multispectral analysis may be a valuable tool for delineating and quantifying differences between soils.

Montgomery, O. L.↗

Detection and mapping of mineralized areas in the Cortez-Uinta Belt, Utah-Nevada using computer-enhanced ERTS imagery

The author has identified the following significant results. The reflectance spectra of most hydrothermally altered rocks were characterized by broad ferric iron absorption bands short of 1.1 microns and a sharper hydroxyl band near 2.2 microns; maximum reflectance occurred near 1.6 microns. Their features became more prominent as albedo increased. The MSS color ratio composite images were the most effective and practical means for detecting and mapping limonitic rocks in areas having less than about 50 percent desert brush cover and less than 25-35 percent coniferous tree cover. Limonitic altered and unaltered rocks could not be distinguished in MSS color ratio composite images.

Rowan, L. C.↗

Computer-Driven Keratometer

Simple optical system measures corneal deformations. Shuttered laser briefly illuminates subject's eye through reticle, projecting concentric rings of light on eye. Reflected by beam splitter and mirror into solid-state video camera, ring pattern compared with reference pattern by computer. Keratometer assists in rapid diagnosis of eye ailments and preparation of cornea for surgery. Unit does not require critical alignment with eye; results more reliable, and easier to use.

Baroth, Edmund C.↗

Bidirectional Reflectance of a Macroscopically Flat, High-Albedo Particulate Surface: An Efficient Radiative Transfer Solution and Applications to Regoliths

Many remote sensing applications rely on accurate knowledge of the bidirectional reflection function (BRF) of surfaces composed of discrete, randomly positioned scattering particles. Theoretical computations of BRFs for plane-parallel particulate layers are usually reduced to solving the radiative transfer equation (RTE) using one of existing exact or approximate techniques. Since semi-empirical approximate approaches are notorious for their low accuracy, violation of the energy conservation law, and ability to produce unphysical results, the use of numerically exact solutions of RTE has gained justified popularity. For example, the computation of BRFs for macroscopically flat particulate surfaces in many geophysical publications is based on the adding-doubling (AD) and discrete ordinate (DO) methods. A further saving of computer resources can be achieved by using a more efficient technique to solve the plane-parallel RTE than the AD and DO methods. Since many natural particulate surfaces can be well represented by the model of an optically semi-infinite, homogeneous scattering layer, one can find the BRF directly by solving the Ambartsumian's nonlinear integral equation using a simple iterative technique. In this way, the computation of the internal radiation field is avoided and the computer code becomes highly efficient and very accurate and compact. Furthermore, the BRF thus obtained fully obeys the fundamental physical laws of energy conservation and reciprocity. In this paper, we discuss numerical aspects and the computer implementation of this technique, examine the applicability of the Henyey-Greenstein phase function and the sigma-Eddington approximation in BRF and flux calculations, and describe sample applications demonstrating the potential effect of particle shape on the bidirectional reflectance of flat regolith surfaces. Although the effects of packing density and coherent backscattering are currently neglected, they can also be incorporated. The FORTRAN implementation of the technique is available on the World Wide Web, and can be applied to a wide range of remote sensing problems. BRF computations for undulated (macroscopically rough) surfaces are more complicated and often rely on time consuming Monte Carlo procedures. This approach is especially inefficient for optically thick, weakly absorbing media (e.g., snow and desert surfaces at visible wavelengths since a photon may undergo many internal scattering events before it exists the medium or is absorbed. However, undulated surfaces can often be represented as collections of locally flat tilted facets characterized by the BRF found from the traditional plane parallel RTE. In this way the MOnte Carlo procedure could be used only to evaluate the effects of surface shadowing and multiple surface reflections, thereby bypassing the time-consuming ray tracing inside the medium and providing a great savings of CPU time.

Mishchenko, Michael I.↗

Far field conditions for compressible flows

The numerical treatment of exterior regions requires a method to convert the problem to one in a bounded region. One method is to truncate the unbounded region at some finite, artificial surface. This creates a finite computational region at the expense of imposing boundary conditions at the artificial boundary. If the problem has wave-like solutions near infinity, then these boundary conditions must simulate the radiation of energy out of the computational domain and towards infinity. Incorrect specification of these radiation boundary conditions can cause spurious reflected waves to be generated at the artificial boundary. Radiation boundary conditions which have the following properties were constructed: to accurately simulate the radiation of energy out of the computational domain; to accomplish the simulation with an accuracy which improves as fast as feasible as the artificial surface is moved outward; and to accelerate convergence to the steady state (by minimizing spurious reflections).

Bayliss, A.↗

Multi-Angle Implementation of Atmospheric Correction for MODIS (MAIAC). Part 3: Atmospheric Correction

This paper describes the atmospheric correction (AC) component of the Multi-Angle Implementation of Atmospheric Correction algorithm (MAIAC) which introduces a new way to compute parameters of the Ross-Thick Li-Sparse (RTLS) Bi-directional reflectance distribution function (BRDF), spectral surface albedo and bidirectional reflectance factors (BRF) from satellite measurements obtained by the Moderate Resolution Imaging Spectroradiometer (MODIS). MAIAC uses a time series and spatial analysis for cloud detection, aerosol retrievals and atmospheric correction. It implements a moving window of up to 16 days of MODIS data gridded to 1 km resolution in a selected projection. The RTLS parameters are computed directly by fitting the cloud-free MODIS top of atmosphere (TOA) reflectance data stored in the processing queue. The RTLS retrieval is applied when the land surface is stable or changes slowly. In case of rapid or large magnitude change (as for instance caused by disturbance), MAIAC follows the MODIS operational BRDF/albedo algorithm and uses a scaling approach where the BRDF shape is assumed stable but its magnitude is adjusted based on the latest single measurement. To assess the stability of the surface, MAIAC features a change detection algorithm which analyzes relative change of reflectance in the Red and NIR bands during the accumulation period. To adjust for the reflectance variability with the sun-observer geometry and allow comparison among different days (view geometries), the BRFs are normalized to the fixed view geometry using the RTLS model. An empirical analysis of MODIS data suggests that the RTLS inversion remains robust when the relative change of geometry-normalized reflectance stays below 15%. This first of two papers introduces the algorithm, a second, companion paper illustrates its potential by analyzing MODIS data over a tropical rainforest and assessing errors and uncertainties of MAIAC compared to conventional MODIS products.

Lyapustin, A.↗

Two-dimensional kinetics computer program for orbit transfer vehicles

Future Orbit Transfer Vehicles (OTV) presently under consideration require rocket engines delivering a high specific impulse. This high performance can be obtained with large area ratio thrust chambers using oxygen with either hydrogen or hydrocarbon fuels. In the projected nozzles, the combustion products are expanded to low pressure and temperature levels at high Mach number, a domain which has not been experienced with existing rocket engines. In order to assist in the design and evaluation of OTV engines, modifications have recently been incorporated in the Two-Dimensional-Kinetics (TDK) computer program. These modifications include the treatment of shock waves induced by the wall curvature, and shocks which are attached to the wall. The reflection of a shock wave at the flow axis is also treated in an appropriate manner and multiple shock reflections are allowed. A Boundary Layer Module (BLM) has also been incorporated into the TDK computer program in order to provide an automated treatment of the rigorous JANNAF rocket engine performance prediction procedure.

Nickerson, G. R.↗

High speed three-dimensional laser scanner with real time processing

A laser scanner computes a range from a laser line to an imaging sensor. The laser line illuminates a detail within an area covered by the imaging sensor, the area having a first dimension and a second dimension. The detail has a dimension perpendicular to the area. A traverse moves a laser emitter coupled to the imaging sensor, at a height above the area. The laser emitter is positioned at an offset along the scan direction with respect to the imaging sensor, and is oriented at a depression angle with respect to the area. The laser emitter projects the laser line along the second dimension of the area at a position where a image frame is acquired. The imaging sensor is sensitive to laser reflections from the detail produced by the laser line. The imaging sensor images the laser reflections from the detail to generate the image frame. A computer having a pipeline structure is connected to the imaging sensor for reception of the image frame, and for computing the range to the detail using height, depression angle and/or offset. The computer displays the range to the area and detail thereon covered by the image frame.

Lavelle, Joseph P.↗

Using MCNP6 to Estimate Fission Neutron Properties of a Reflected Plutonium Sphere

The purpose of this project was to determine the fission multiplicity distribution, p(v), for the Beryllium Reflected Plutonium (BeRP) ball and to determine whether or not it changed appreciably for various High Density Polyethylene (HDPE) reflected configurations. The motivation for this project was to determine whether or not the average number of neutrons emitted per fission, v, changed significantly enough to reduce the discrepancy between MCNP6 and Robba, Dowdy, Atwater (RDA) point kinetic model estimates of multiplication. The energy spectrum of neutrons that induced fissions in the BeRP ball, NIF (E), was also computed in order to determine the average energy of neutrons inducing fissions, NIF . p(v) was computed using the FMULT card, NIF (E) and NIF were computed using an F4 tally with an FM tally modifier (F4/FM) card, and the multiplication factor, k eff , was computed using the KCODE card. Although NIF (E) changed significantly between bare and HDPE reflected configurations of the BeRP ball, the change in p(v), and thus the change in v, was insignificant. This is likely due to a difference between the way that NIF is computed using the FMULT and F4/FM cards. The F4/FM card indicated that NIF (E) was essentially Watt-fission distributed for a bare configuration and highly thermalized for all HDPE reflected configurations, while the FMULT card returned an average energy between 1 and 2 MeV for all configurations, which would indicate that the spectrum is Watt-fission distributed, regardless of the amount of HDPE reflector. The spectrum computed with the F4/FM cards is more physically meaningful and so the discrepancy between it and the FMULT card result is being investigated. It is hoped that resolving the discrepancy between the FMULT and F4/FM card estimates of NIF(E) will provide better v estimates that will lead to RDA multiplication estimates that are in better agreement with MCNP6 simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Layer-by-Layer Analysis of the Thickness Distribution of Silicon Dioxide in the Structure SiO{sub 2}/Si(111) by Inelastic Electron Scattering Cross-Section Spectroscopy

The SiO{sub 2}-concentration profile in the structure SiO{sub 2}/Si(111) is determined from experimental spectra of the cross section for the inelastic scattering of reflected electrons in the primary electron energy range from 300 to 3000 eV. The spectra are analyzed with the use of a proposed algorithm and developed computer program for simulating the spectra of the cross section for the inelastic scattering of reflected electrons for layered structures with an arbitrary number of layers, arbitrary thickness, and variable concentration of components in each layer. The best agreement between the calculated and experimental spectra is attained by varying the silicon dioxide and silicon concentrations in each layer. The results obtained can be used for profiling film-substrate structures with an arbitrary composition.

36 MATERIALS SCIENCE↗

Computational study of AuSi{sub n} (n=1-9) nanoalloy clusters invoking DFT based descriptors

Nanoalloy clusters formed between Au and Si are topics of great interest today from both scientific and technological point of view. Due to its remarkable catalytic, electronic, mechanical and magnetic properties Au-Si nanoalloy clusters have extensive applications in the field of microelectronics, catalysis, biomedicine, and jewelry industry. Density Functional Theory (DFT) is a new paradigm of quantum mechanics, which is very much popular to study the electronic properties of materials. Conceptual DFT based descriptors have been invoked to correlate the experimental properties of nanoalloy clusters. In this venture, we have systematically investigated AuSi{sub n} (n=1-9) nanoalloy clusters in the theoretical frame of the B3LYP exchange correlation. The experimental properties of AuSi{sub n} (n=1-9) nanoalloy clusters are correlated in terms of DFT based descriptors viz. HOMO-LUMO gap, Electronegativity (χ), Global Hardness (η), Global Softness (S) and Electrophilicity Index (ω). The calculated HOMO-LUMO gap exhibits interesting odd-even alteration behaviour, indicating that even numbered clusters possess higher stability as compare to their neighbour odd numbered clusters. This study also reflects a very well agreement between experimental bond length and computed data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The optical properties of platinum and gold in the vacuum ultraviolet

The optical constants of platinum and gold thin films have been determined in the spectral region of 40 to 200 nm by reflection measurements. The highly polarized continuum of synchrotron radiation emitted by the 240-MeV electron storage ring at the Physical Sciences Laboratory of the University of Wisconsin was used as a light source for the spectrum below 120 nm, while a windowless discharge lamp coupled to a normal incidence monochromator provided a source for the longer wavelengths. Optical constants were determined by a computer program based on iterative solutions to the Fresnel equations for reflection as a function of the angle of incidence.

Linton, R. C.↗

Adjacency effects on imaging by surface reflection and atmospheric scattering - Cross radiance to zenith

The paper discusses an analytical solution for the nadir radiance as measured from a satellite, based on a simplified single-scattering approximation in which the scattered radiation is not subject to extinction. In the solution, terms can be identified as due to a reflection from the vicinity of the object pixel, and respectively, (1) upward scattering to zenith above the object pixel (cross radiance), and (2) downward scattering from the entire atmosphere to the object pixel (cross irradiance). It is shown that the cross radiance is proportional to the forward scattering optical thickness, as defined, and the cross irradiance to the backscattering optical thickness. In addition, explicit expressions and computer solutions for the cross radiance from annular or from rectangular reflecting areas are presented. It is concluded that the effect depends on the height distribution and on the sharpness of the forward peak of the scattering particles.

Otterman, J.↗

Experimental and DFT Calculated IR Spectra of Guests in Zeolites: Acyclic Olefins and Host-Guest Interactions

We performed experimental and periodic density functional theory (DFT) IR spectroscopy to investigate the adsorption of acyclic olefins over both acidic and non-acidic zeolites. Two conjugated polyenes, 2,4-dimethyl-1,3-pentadiene (I) and 2,6-dimethyl-2,4,6-octatriene (II) were studied to probe organic intermediates that can form during methanol conversion, and that can lead to deactivating species known collectively as “coke.” We computed vibrational spectra using zeolite-adsorbed and gas-phase models for both neutral and protonated forms of I and II, and compared these DFT results to diffuse reflectance IR Fourier transform (DRIFT) spectra of zeolite-guest systems. Our experimental and computational results are precise enough to pinpoint that the gauche s-cis conformation of species I predominates during adsorption over de-aluminated zeolite beta. Computed zeolite-adsorbed spectra of the protonated species I and II best represent the DRIFT spectra obtained after the adsorption of the olefins on HMOR at 20 ?, with computed bands at 1543 and 1562 cm–1 for molecules I+ and II+, respectively, attributed to the allylic stretching mode, ?(C=C–C+). These computed band frequencies are within 6 cm–1 of experimental data and confirm that the interaction between neutral acyclic olefins and acidic zeolites leads to protonation of the olefin. Comparison of computed spectra of the protonated species in the gas phase to those in the zeolite indicates that the electrostatic interaction between alkenyl and alkadienyl cations and negative zeolite framework does not significantly impact the position of the allylic stretching bands. These results highlight that computed spectroscopy and thermodynamics coupled with experimental spectra can be used for elucidating complex mixtures in zeolites, and certain spectral features of adsorbed olefins can be accurately modeled by gas-phase calculations. ACKNOWLEDGMENTS BM and SMA were supported by the National Science Foundation under Award # CBET-1512442. Acknowledgment is made to the Donors of the American Chemical Society Petroleum Research Fund for support (or partial support) of this research (#589978-ND5, EDH and FCJ). MDB was supported by the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences (BES), Division of Materials Science and Engineering. CJM was supported by the DOE, Office of Science, BES, Division of Chemical Sciences, Geosciences, and Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated by Battelle for the U.S. DOE. Computing resources were generously provided through PNNL’s institutional computing (PIC).

Manookian, Babgen↗

Effect of the Inhomogeneity of Ice Crystals on Retrieving Ice Cloud Optical Thickness and Effective Particle Size

Spherical or spheroidal air bubbles are generally trapped in the formation of rapidly growing ice crystals. In this study the single-scattering properties of inhomogeneous ice crystals containing air bubbles are investigated. Specifically, a computational model based on an improved geometric-optics method (IGOM) has been developed to simulate the scattering of light by randomly oriented hexagonal ice crystals containing spherical or spheroidal air bubbles. A combination of the ray-tracing technique and the Monte Carlo method is used. The effect of the air bubbles within ice crystals is to smooth the phase functions, diminish the 22deg and 46deg halo peaks, and substantially reduce the backscatter relative to bubble-free particles. These features vary with the number, sizes, locations and shapes of the air bubbles within ice crystals. Moreover, the asymmetry factors of inhomogeneous ice crystals decrease as the volume of air bubbles increases. Cloud reflectance lookup tables were generated at wavelengths 0.65 m and 2.13 m with different air-bubble conditions to examine the impact of the bubbles on retrieving ice cloud optical thickness and effective particle size. The reflectances simulated for inhomogeneous ice crystals are slightly larger than those computed for homogenous ice crystals at a wavelength of 0.65 microns. Thus, the retrieved cloud optical thicknesses are reduced by employing inhomogeneous ice cloud models. At a wavelength of 2.13 microns, including air bubbles in ice cloud models may also increase the reflectance. This effect implies that the retrieved effective particle sizes for inhomogeneous ice crystals are larger than those retrieved for homogeneous ice crystals, particularly, in the case of large air bubbles.

Xie, Yu↗

LDEF microenvironments, observed and predicted

Complex protrusions and surface indentations on spacecraft equipment alter exposure environments by casting shadows, producing reflections and scattering incident atomic oxygen flux and UV radiation. A computer model is being developed to predict these effects. The model accounts for any arbitrary shape, size, orientation, or curvature of exposed objects. LDEF offers a unique opportunity to compare model prediction with observations. For this purpose, a study is underway on twelve of LDEF's copper grounding straps. These straps were exposed at various angles from the ram vector during the LDEF flight. Microenvironment variables include shadowing and reflections from clamps and fasteners, and varying exposure caused by bending of the straps. Strap measurements include optical properties, surface film composition by ESCA, and film thickness measurements by optical interference techniques. The features of the microenvironment model and the analytical methods used to examine the straps are discussed. Data are presented showing predicted microenvironmental variations. These variations are compared with observed point to point differences in surface properties of the straps.

Bourassa, R. J.↗