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At least 1,549 records · Page 86

Exposure Assumptions Underlying Cleanups to Industrial Versus Unrestricted Uses: Comparison of State and Federal Approaches - 17228

The Environmental Protection Agency (EPA) and various states have designated a variety of cleanup levels ranging from restricted (too much residual contamination to allow any use) to unrestricted or residential. Although there are many potential exposure scenarios, the States of Washington and New Jersey identify only two levels for cleanup of chemical contaminants in soil: 'unrestricted' and 'industrial' (Washington) and 'residential' vs 'non-residential' (New Jersey). Other agencies such as EPA and DOE recognize several levels of recreational use, between unrestricted and industrial, and likewise there are several levels of residential use as well. Cleanup criteria may allow or preclude the use of ground water for drinking, swimming pools, gardens, or lawns. Tribal unrestricted scenarios include the use of water (probably surface water in most scenarios) for sweat lodges, and have calculated high level exposure pathways for both dermal and inhalation pathways as well as ingestion. For residential scenarios, inadvertent ingestion of soil, drinking of ground water, and consumption of local foods represent the highest exposure pathways. Intermediate, recreational pathways may be non-consumptive (hiking, bird watching, photography) or consumptive (hunting, fishing, harvesting plants and medicines), the latter entailing much higher potential exposures. For each land-use there is a corresponding exposure scenario, with different assumptions about the maximally exposed individual, their age, and the amounts of air, water, soil, and foods they consume. For each exposure pathway one can compute the ratio between the exposure assumptions for any two scenarios. The product of the ratios comprises a Vulnerability Index. The index is higher for children than adults. For Washington this Index is reflected in the 'industrial' vs 'unrestricted' soil cleanup levels, which are 43.7 times lower for 'unrestricted'. This paper explores the similarities and differences in the exposure scenarios and vulnerability of the maximally exposed individuals and the consequences of a mismatch between current cleanup levels and possible future land uses. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Spherical Kernel Density Estimators For Monte Carlo Radiation Transport Problems

Recently, there has been interest in creating alternatives to histograms (mesh tallies) for estimating spatially-distributed quantities such as scalar flux and reaction rate densities. Kernel Density Estimators (KDEs) are non-parametric estimators that obtain estimates of the underlying distribution at user-defined points without having to specify an underlying mesh, and the uncertainty at those points is independent of the number of tally points used in the simulation. This has led to the investigation of KDEs as an attractive potential alternative to histogram tallies in Monte Carlo radiation transport simulations for reactor physics problems and shielding applications. A KDE was recently created specifically for cylindrical geometries that is capable of producing smooth and accurate estimates of flux and reaction rate densities in reactor physics problems. This work extends the cylindrical KDE and cylindrical Mean Free Path (MFP) KDE to spherical geometries and verifies the spherical KDE on bare and reflected critical benchmark problems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Reactivity effects at the Mayak production association, January 2, 1958 criticality accident using serpent 2 and openFOAM - 14444

The process nuclear criticality accident that occurred at the Mayak Production Association (Chelyabinsk-40) on January 2, 1958 involving a vessel of uranyl nitrate solution claimed the lives of three workers and left a fourth worker with continuing health problems. There are a myriad of uncertain parameters involved with this accident: What was the molarity of the solution? How much solution was in the vessel at the time of the accident? In what position was the vessel and the solution when it went critical? How important was the impact of reflection due to the workers and/or the floor? These uncertain parameters have made this accident particularly difficult to analyze in the past. This work aims to lower the uncertainty on some of these parameters. A most-probable solution composition is determined by comparing literature on the physical properties of uranyl nitrate solutions to those presented in LA-13638 [1], which describes the accident in question. Using this most-probable solution, the main contributions to the reactivity of the system and hence the eventual accident, are identified through Serpent 2 and OpenFOAM analyses. Serpent 2, a Monte Carlo software tool, is used to perform calculations of the reactivity effects of lowering the vessel toward the floor and the reactivity added by the close proximity of workers. OpenFOAM, a C++ partial differential equation solver toolkit, is used to simulate the fluid inside the vessel as the vessel is tipped. This is done by treating the solution and air inside the vessel as two incompressible, isothermal, and immiscible fluids using a volume of fluid (VoF) approach. The goal of this approach is simply to track the interface between the two fluids, and hence give an accurate description of the geometrical structure of the solution as the vessel is tipped. These two unique tools are then coupled to provide a time-dependent flow simulation to study the effect that the changing geometrical structure had on the criticality of the system, which is novel to the criticality safety field. This work provides a more accurate picture of the accident going forward. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Parameterizing Spectral Surface Reflectance Relationships for the Dark Target Aerosol Algorithm Applied to A Geostationary Imager

Originally developed for the Moderate Resolution Imaging Spectroradiometer (MODIS) in polar, sun-synchronous low-earth orbit (LEO), the Dark Target (DT) aerosol retrieval algorithm relies on the assumption of a Surface Reflectance Parameterization (SRP) over land surfaces. Specifically for vegetated and dark-soiled surfaces, values of surface reflectance in blue and red visible-wavelength bands are assumed to be nearly linearly related to each other and to the value in a shortwave infrared (SWIR) wavelength band. This SRP also includes dependencies on scattering angle and a normalized difference vegetation index computed from two SWIR bands (NDVISWIR). As the DT retrieval algorithm is being ported to new sensors to continue and expand the aerosol data record, we assess whether the MODIS-assumed SRP can be used for these sensors. Here, we specifically assess SRP for the Advanced Baseline Imager (ABI) aboard, the Geostationary Operational Environmental Satellite (GOES)-16/East (ABIE). First, we find that using MODIS-based SRP leads to higher biases and artificial diurnal signatures in aerosol optical depth (AOD)retrievals from ABIE. The primary reason appears to be that geostationary orbit (GEO) encounters an entirely different set of observation geometry than does LEO, primarily with regards to solar angles coupled with fixed view angles. Therefore, we have developed a new SRP for GEO that draws the angular shape of the surface bidirectional reflectance. We also introduce modifications to the parametrization of both red-SWIR and blue-red spectral relationships to include additional information.The revised Red-SWIR SRP includes solar zenith angle, NDVISWIR, and land-type percentage from an ancillary database. The blue-red SRP adds dependencies on the scattering angle and NDVISWIR. The new SRPs improve the AOD retrieval of ABIE in terms of overall less bias and mitigation of the overestimation around local noon. The average bias of DT AOD compared to AERONET AOD shows a reduction from 0.08 to 0.03, while the bias of local solar noon decreases from 0.12 to 0.03.The agreement between DT and AERONET AOD is established through regression slope of 1.06 and y-intercept of 0.01with correlation coefficient is0.74. By using the new SRP, the percentage of data falling within the expected error range (±0.05 + 15%) is notably risen from 54% to 78%.

Mijin Kim↗

2D microwave imaging reflectometer electronics

A 2D microwave imaging reflectometer system has been developed to visualize electron density fluctuations on the DIII-D tokamak. Simultaneously illuminated at four probe frequencies, large aperture optics image reflections from four density-dependent cutoff surfaces in the plasma over an extended region of the DIII-D plasma. Localized density fluctuations in the vicinity of the plasma cutoff surfaces modulate the plasma reflections, yielding a 2D image of electron density fluctuations. Details are presented of the receiver down conversion electronics that generate the in-phase (I) and quadrature (Q) reflectometer signals from which 2D density fluctuation data are obtained. Also presented are details on the control system and backplane used to manage the electronics as well as an introduction to the computer based control program.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

The Impact of Soil Reflectance on the Quantification of the Green Vegetation Fraction from NDVI

The green vegetation fraction (Fg) is an important climate and hydrologic model parameter. A common method to calculate Fg is to create a simple linear mixing rnodeP between two NDVI endmembers: bare soil NDVI (NDVI(sub o)) and full vegetation NDVI (NDVI(sub infinity)). Usually it is assumed that NDVI(sub o), is close to zero (NDVI(sub o) approx.-0.05) and is generally chosen from the lowest observed NDVI values. However, the mean soil NDVI computed from 2906 samples is much larger (NDVI=0.2) and is highly variable (standard deviation=O. 1). We show that the underestimation of NDVI(sub o) yields overestimations of Fg. The largest errors occur in grassland and shrubland areas. Using parameters for NDVI(sub o) and NDVI(sub infinity) derived from global scenes yields overestimations of Fg ((Delta) Fg*) that are larger than 0.2 for the majority of U.S. land cover types when pixel NDVI values are 0.2<NDVI(sub pixel)<0.4. Figure 1 shows how the Fg overestimation varies for the most common land cover types in the conterminous U.S. for typical seasonal NDVI values. When using conterminous U.S. scenes to derive NDV(sub o) and NDVI(sub infinity), the overestimation is less (0.10-0.17 for 0.2<NDVI(sub pixel)<0.4). As a result, parts of the conterminous U.S. are affected at different times of the year depending on the local seasonal NDVI cycle. We propose using global databases of NDVI(sub o) along with information on historical NDVI(sub pixel) values to compute a statistically most-likely estimate of Fg (Fg*). Using in situ measurements made at the Sevilleta LTER, we show that this approach yields better estimates of Fg than using global invariant NDVI(sub o) values estimated from whole scenes (Figure 2). At the two studied sites, the Fg estimate was adjusted by 52% at the grassland and 86% at the shrubland. More significant advances will require information on spatial distribution of soil reflectance.

Montandon, L. M.↗

Multiangle Implementation of Atmospheric Correction (MAIAC):: Radiative Transfer Basis and Look-up Tables - 1

This paper describes a radiative transfer basis of the algorithm MAIAC which performs simultaneous retrievals of atmospheric aerosol and bidirectional surface reflectance from the Moderate Resolution Imaging Spectroradiometer (MODIS). The retrievals are based on an accurate semianalytical solution for the top-of-atmosphere reflectance expressed as an explicit function of three parameters of the Ross-Thick Li-Sparse model of surface bidirectional reflectance. This solution depends on certain functions of atmospheric properties and geometry which are precomputed in the look-up table (LUT). This paper further considers correction of the LUT functions for variations of surface pressure/height and of atmospheric water vapor, which is a common task in the operational remote sensing. It introduces a new analytical method for the water vapor correction of the multiple ]scattering path radiance. It also summarizes the few basic principles that provide a high efficiency and accuracy of the LUT ]based radiative transfer for the aerosol/surface retrievals and optimize the size of LUT. For example, the single-scattering path radiance is calculated analytically for a given surface pressure and atmospheric water vapor. The same is true for the direct surface-reflected radiance, which along with the single-scattering path radiance largely defines the angular dependence of measurements. For these calculations, the aerosol phase functions and kernels of the surface bidirectional reflectance model are precalculated at a high angular resolution. The other radiative transfer functions depend rather smoothly on angles because of multiple scattering and can be calculated at coarser angular resolution to reduce the LUT size. At the same time, this resolution should be high enough to use the nearest neighbor geometry angles to avoid costly three ]dimensional interpolation. The pressure correction is implemented via linear interpolation between two LUTs computed for the standard and reduced pressure levels. A linear mixture and a modified linear mixture methods are used to represent different aerosol types in the aerosol/surface retrievals from several base models of the fine and coarse aerosol fractions. In summary, the developed LUT algorithm allows fast high-accuracy simulations of the outgoing radiance with full variability of the atmospheric and surface bidirectional reflectance properties for the aerosol/surface remote sensing.

Lyapustin, Alexei↗

Observing System Simulation Experiment (OSSE) for the HyspIRI Spectrometer Mission

The OSSE software provides an integrated end-to-end environment to simulate an Earth observing system by iteratively running a distributed modeling workflow based on the HyspIRI Mission, including atmospheric radiative transfer, surface albedo effects, detection, and retrieval for agile exploration of the mission design space. The software enables an Observing System Simulation Experiment (OSSE) and can be used for design trade space exploration of science return for proposed instruments by modeling the whole ground truth, sensing, and retrieval chain and to assess retrieval accuracy for a particular instrument and algorithm design. The OSSE in fra struc ture is extensible to future National Research Council (NRC) Decadal Survey concept missions where integrated modeling can improve the fidelity of coupled science and engineering analyses for systematic analysis and science return studies. This software has a distributed architecture that gives it a distinct advantage over other similar efforts. The workflow modeling components are typically legacy computer programs implemented in a variety of programming languages, including MATLAB, Excel, and FORTRAN. Integration of these diverse components is difficult and time-consuming. In order to hide this complexity, each modeling component is wrapped as a Web Service, and each component is able to pass analysis parameterizations, such as reflectance or radiance spectra, on to the next component downstream in the service workflow chain. In this way, the interface to each modeling component becomes uniform and the entire end-to-end workflow can be run using any existing or custom workflow processing engine. The architecture lets users extend workflows as new modeling components become available, chain together the components using any existing or custom workflow processing engine, and distribute them across any Internet-accessible Web Service endpoints. The workflow components can be hosted on any Internet-accessible machine. This has the advantages that the computations can be distributed to make best use of the available computing resources, and each workflow component can be hosted and maintained by their respective domain experts.

Turmon, Michael J.↗

Remote sensing of surface hemispherical reflectance (albedo) using pointable multispectral imaging spectroradiometers

Remote techniques for determining albedo are examined in terms of the range of view angles required in the use of string techniques with the Moderate Resolution Imaging Spectroradiometer (MODIS) and the High Resolution Imaging Spectroradiometer (HIRIS). Ground data are used to compute full and half strings out to 15, 30, 45, and 60 degrees for various sun angles and ground cover types. A knowledge-based system is employed to evaluate both the visible and near-IR bands, and the results indicate errors of up to 7 percent for the MODIS data, HIRIS data, and the full-string +/- 60 degrees. In the cases of large extrapolations greater ranges of error are noted indicating that 60-deg systems are most effective. The error is increased in the case of sensor systems that only view in the fore or aft direction, and the MODIS full string for +/- 45 deg is also considered a good system.

Kimes, D. S.↗

Influence of intermolecular interactions on the infrared complex indices of refraction for binary liquid mixtures

This paper investigates the accuracy of deriving the composite optical constants of binary mixtures from only the complex indices of refraction of the neat materials. These optical constants enable the reflectance spectra of the binary mixtures to be modeled for multiple scenarios (e.g., different substrates, thicknesses, volume ratios), which is important for contact and standoff chemical detection. Using volume fractions, each mixture's complex index of refraction was approximated via three different mixing rules. To explore the impact of intermolecular interactions, these predictions are tested by experimental measurements for two representative sets of binary mixtures: (1) tributyl phosphate combined with n-dodecane, a non-polar medium, to represent mixtures which primarily interact via dispersion forces and (2) tributyl phosphate and 1-butanol to represent mixtures with polar functional groups that can also interact via dipole–dipole interactions, including hydrogen bonding. The residuals and the root-mean-square error between the experimental and calculated index values are computed and demonstrate that for miscible liquids in which the average geometry of the cross-interactions can be considered isotropic (e.g., dispersion), the refractive indices of the mixtures can be modeled using composite n and k values derived from volume fractions of the neat liquids. Conversely, in spectral regions where the geometry of the cross-interactions is more restricted and anisotropic (e.g., hydrogen bonding), the calculated n and k values vary from the measured values. The impact of these interactions on the reflectance spectra are then compared by modeling a thin film of the binary mixtures on an aluminum substrate using both the measured and the mathematically computed indices of refraction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Further studies with data collected by NASA's airborne Doppler lidar in Oklahoma in 1981

Continued study of the lidar data collected in 1981 has resulted in significant new improvements in the analysis techniques reported by Bluestein et al. (1985) and McCaul (1985). Through comparison of fore- and aft-derived scalar fields of intensity and spectral width, the self-consistency of the lidar moment estimates was assessed. Reflectivity estimates were found to be quite stable and reliable, while spectral widths were prone to become noisy if signal to noise ratio (SNR) fell below 12 dB. In addition, spectral widths contained a significant component due to radial velocity gradients in areas along gust fronts, and these components were different along the fore and aft lines of sight. Significant improvement in agreement between the fore and aft fields of spectral width was obtained by estimating the radial velocity gradient component and then removing it from the raw measured widths to yield only the turbulent portion of the contribution to width. Additional analyses showed that lidar-derived vorticity estimates were consistent with several approximate models of vorticity growth along gust front zones, and with the hypothesis that Helmholtz instability could have been responsible for vortices seen along part of the gust front of 30 June 1981. Computations of divergence transverse to axes through an isolated cumulus congestus indicated that the strongest convergence tended to lie along an axis parallel to the congestus. This and the results of other additional analyses seem to suggest that the lidar winds do indeed accurately reflected the basic features of the real wind field.

Bluestein, H. B.↗

Data-driven operator inference for nonintrusive projection-based model reduction

We presenta a nonintrusive projection-based model reduction method for full models based on time-dependent partial differential equations. Projection-based model reduction constructs the operators of a reduced model by projecting the equations of the full model onto a reduced space. Traditionally, this projection is intrusive, which means that the full-model operators are required either explicitly in an assembled form or implicitly through a routine that returns the action of the operators on a given vector; however, in many situations the full model is given as a black box that computes trajectories of the full-model states and outputs for given initial conditions and inputs, but does not provide the full-model operators. Our nonintrusive operator inference approach infers approximations of the reduced operators from the initial conditions, inputs, trajectories of the states, and outputs of the full model, without requiring the full-model operators. Our operator inference is applicable to full models that are linear in the state or have a low-order polynomial nonlinear term. The inferred operators are the solution of a least-squares problem and converge, with sufficient state trajectory data, in the Frobenius norm to the reduced operators that would be obtained via an intrusive projection of the full-model operators. Our numerical results reflect operator inference on a linear climate model and on a tubular reactor model with a polynomial nonlinear term of third order.

42 ENGINEERING↗

Structure–Capacitance Relationships of Graphene/Ionic Liquid Electrolyte Double Layers

The differential capacitance profile of electrochemical interfaces reflects the physical properties of the double layer. For carbon electrodes and ionic liquid based electrolytes, these capacitance profiles are not fully understood. In this work, we utilize constant voltage molecular dynamics simulations to compute differential capacitance profiles of ionic liquids [BMIm + ][BF 4 - ] and [BMIm + ][TFSI - ] mixed with acetonitrile and 1,2-dichloroethane, at model graphene electrodes. We find that both pure and 10% mole fraction ionic liquid electrolytes exhibit camel shaped capacitance profiles with two peaks on either side of a minimum centered at the potential of zero charge. This profile shape results from electric field induced rearrangement of ion structure within the inner layer closest to the electrode interface. At low potential, the ionic liquid inner layer is concentrated with non-polar tri-fluoromethyl and butyl functional groups of the anions and cations, corresponding to the minimum of the capacitance profiles. With increasing voltage, electrostatic interactions of polar/charged functional groups with the electrode surface compete with these non-polar interactions, leading to ion rearrangement that increases the inner layer charge density and results in higher capacitance. After the ion restructuring is complete, the response saturates and capacitance diminishes. The presence of organic solvent significantly changes the composition of the inner layer. For example, strong non-polar interactions between dichloroethane molecules and the graphene surface substantially block ion/electrode contact at moderate potentials. Overall, our simulations highlight the dynamic nature of the inner region of organic electrolyte double layers, and the sensitive dependence on electrolyte composition and applied voltage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Formation and optical properties of indium nanoparticle arrays for deep-UV plasmonics

We utilize a combined computational-experimental approach to examine the influence of indium nanoparticle (NP) array distributions on deep-ultraviolet (UV) plasmon resonances. For photon energies < 5.7 eV, analysis of ellipsometric spectra reveals an increase in silicon reflectance induced by indium NP arrays on silicon. For various energies in the range 5.7–7.0 eV, a decrease in reflectance is induced by the NP arrays. Similar trends in reflectance are predicted from finite-difference time-domain (FDTD) simulations using NP size distributions extracted from atomic-force micrographs as input. In addition, in the energy range of 7.4–9.2 eV, the FDTD simulations reveal reflectance minima, characteristic of localized surface plasmon resonances. Here, electron energy-loss spectroscopy collected from individual indium NPs reveals the presence of LSPR at ≈ 8 eV, further supporting the promise of indium NP arrays on silicon for deep-UV plasmonics.

36 MATERIALS SCIENCE↗

Variational description of the ground state of the repulsive two-dimensional Hubbard model in terms of nonorthogonal symmetry-projected Slater determinants

The few determinant (FED) methodology, introduced in our previous works for 1D lattices, is here adapted for the repulsive two-dimensional Hubbard model at half-filling and with finite doping fractions. Within this configuration mixing scheme, a given ground state with well defined spin and space group quantum numbers, is expanded in terms of a nonorthogonal symmetry-projected basis determined through chains of variation-after projection calculations. The results obtained for the ground state and correlation energies of half-filled and doped 4×4, 6×6, 8×8, and 10×10 lattices, as well as momentum distributions and spin-spin correlation functions in small lattices, compare well with those obtained using other state-of-the-art approximations. The structure of the intrinsic determinants resulting from the variational strategy is interpreted in terms of defects that encode information on the basic units of quantum fluctuations in the considered 2D systems. The varying nature of the underlying quantum fluctuations, reflected in a transition to a stripe regime for increasing onsite repulsions, is discussed using the intrinsic determinants belonging to a 16×4 lattice with 56 electrons. Such a transition is further illustrated by computing spin-spin and charge-charge correlation functions with the corresponding multireference FED wave functions. In good agreement with previous studies, the analysis of the pairing correlation functions reveals a weak enhancement of the extended s-wave and $d_x2-_y2$ pairing modes. Finally, given the quality of results here reported together with those previously obtained for 1D lattices and the parallelization properties of the FED scheme, we believe that symmetry projection techniques are very well suited for building ground state wave functions of correlated electronic systems, regardless of their dimensionality.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Incoherent range-based holography of far-distant objects using LIDAR

Los Alamos National Laboratory has developed an incoherent, long-range, sub-centimeter resolution (LIDAR) with which we achieve centimeter-scale reflection holography at extremely long ranges. The system consists of a pulsed laser and photon-counting receiver. This combination yields round-trip time of flight data to illuminate parts of the object of interest. The aggregation of these data for many LIDAR pulses yields a plot with a range on the X axis and reflectance on the Y axis, which we refer to as a range profile. Observing that the range profile is a projection of the reflection map of the object onto the view vector, we collect profiles from a variety of viewing angles and invert these data to form an image. We adapt imaging algorithms from the field of computer aided tomography to suit our application and present results from imaging demonstrations at a 10 km range.

Hoffmann, Mitchell P. (ORCID:0000000170551324)↗

Comparison of atmospheric density data from mass spectrometers and atmospheric drag on the Aeros satellites

The comparison of perigee density data near 230 km for satellite Aeros-A has been extended to the complete mission time. The average ratio between orbital drag derived density and mass spectrometer measurements is very near to 1 with a large scatter reflected by a standard deviation of the order of 20%. A method of comparison was developed and tested which uses the observed rate of change of orbital period in comparison with the orbital decay computed from the actual mass spectrometer data measured at discrete positions along the orbit. This method proves that deviations from the average ratio of 1 between perigee densities from drag and mass spectrometers are due to the smoothing and poor resolution of the orbital drag technique.

Roemer, M.↗

Atmospheric effect on classification of finite fields

The atmospheric effect on the upward radiance of sunlight scattered from the earth-atmosphere system is strongly influenced by the contrasts between fields and their sizes. In this paper, the radiances above finite fields are computed to simulate radiances measured by a satellite. A simulation case including 11 agricultural fields and four natural fields (water, soil, savanah, and forest) is used to test the effect of field size, background reflectance, and optical thickness of the atmosphere on the classification accuracy. For a given atmospheric turbidity, the atmospheric effect on classification of surface features may be much stronger for nonuniform surfaces than for uniform surfaces. Therefore, the classification accuracy of agricultural fields and urban areas is dependent not only on the optical characteristics of the atmosphere, but also on the size of the surface elements to be classified and their contrasts. It is concluded that new atmospheric correction methods, which take into account the finite size of the fields, are needed.

Kaufman, Y. J.↗