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At least 469 records · Page 26

Combining qualitative and quantitative spatial and temporal information in a hierarchical structure: Approximate reasoning for plan execution monitoring

The problem of plan generation (PG) and the problem of plan execution monitoring (PEM), including updating, queries, and resource-bounded replanning, have different reasoning and representation requirements. PEM requires the integration of qualitative and quantitative information. PEM is the receiving of data about the world in which a plan or agent is executing. The problem is to quickly determine the relevance of the data, the consistency of the data with respect to the expected effects, and if execution should continue. Only spatial and temporal aspects of the plan are addressed for relevance in this work. Current temporal reasoning systems are deficient in computational aspects or expressiveness. This work presents a hybrid qualitative and quantitative system that is fully expressive in its assertion language while offering certain computational efficiencies. In order to proceed, methods incorporating approximate reasoning using hierarchies, notions of locality, constraint expansion, and absolute parameters need be used and are shown to be useful for the anytime nature of PEM.

Hoebel, Louis J.↗

Comparing Local Starbursts to High-Redshift Galaxies: A Search for Lyman-Break Analogs

We compare the restframe far-ultraviolet (FUV) morphologies of 8 nearby interacting and starburst galaxies (Arp 269, M 82, Mrk 08, NGC 0520, NGC 1068, NGC 3079, NGC 3310, NGC 7673) with 54 galaxies at z approx.1.5 and 46 galaxies at z approx.4 in the Great Observatories Origins Deep Survey (GOODS) images taken with the Advanced Camera for Surveys onboard the Hubble Space Telescope. We calculate the Gini coefficient (G), the second order moment of 20% of the brightest pixels (M20), and the S ersic index (n). We find that 20% (11/54) of z approx.1.5 and 37% (17/46) of z approx.4 galaxies are bulge-like, using G and M20. We also find approx.70% of the z approx.1.5 and z approx.4 galaxies have exponential disks with n > 0.8. The 2D profile combined with the nonparametric methods provides more detail, concerning the nature of disturbed systems, such as merger and post-merger types. We also provide qualitative descriptions of each galaxy system and at each redshift. We conclude that Mrk 08, NGC 3079, and NGC 7673 have similar morphologies as the starburst FUV restframe galaxies and Lyman-break galaxies at z approx.1.5 and 4, and determine that they are Lyman-break analogs.

Petty, Sara M.↗

Crystal Stratigraphy of Two Basalts from Apollo 16: Unique Crystallization of Picritic Basalt 606063,10-16 and Very-Low-Titanium Basalt 65703,9-13

A geochemical survey of Apollo 16 regolith fragments found five basaltic samples from among hundreds of 2-4 mm regolith fragments of the Apollo 16 site. These included a high-Ti vitrophyric basalt (60603,10-16) and one very-low-titanium (VLT) crystalline basalt (65703,9-13). Apollo 16 was the only highlands sample return mission distant from the maria (approx. 200 km). Identification of basaltic samples at the site not from the ancient regolith breccia indicates input of material via lateral transport by post-basin impacts. The presence of basaltic rocklets and glass at the site is not unprecedented and is required to satisfy mass-balance constraints of regolith compositions. However, preliminary characterization of olivine and plagioclase crystal size distributions indicated the sample textures were distinct from other known mare basalts, and instead had affinities to impact melt textures. Impact melt textures can appear qualitatively similar to pristine basalts, and quantitative analysis is required to distinguish between the two in thin section. The crystal stratigraphy method is a powerful tool in studying of igneous systems, utilizing geochemical analyses across minerals and textural analyses of phases. In particular, trace element signatures can aid in determining the ultimate origin of these samples and variations document subtle changes occurring during their petrogenesis.

Donohue, P. H.↗

Parallel Anisotropic Unstructured Grid Adaptation

Computational Fluid Dynamics (CFD) has become critical to the design and analysis of aerospace vehicles. Parallel grid adaptation that resolves multiple scales with anisotropy is identified as one of the challenges in the CFD Vision 2030 Study to increase the capacity and capability of CFD simulation. The Study also cautions that computer architectures are undergoing a radical change and dramatic increases in algorithm concurrency will be required to exploit full performance. This paper reviews four different methods to parallel anisotropic grid generation. They cover both ends of the spectrum: (i) using existing state-of-the-art software optimized for a single core and modifying it for parallel platforms and (ii) designing and implementing scalable software with incomplete, but rapidly maturating functionality. A brief overview for each grid adaptation system is presented in the context of a telescopic approach for multilevel concurrency. These methods employ different approaches to enable parallel execution, which provides a unique opportunity to illustrate the relative behavior of each approach. Qualitative and quantitative metric evaluations are used to draw lessons for future developments in this critical area for parallel CFD simulation.

Tsolakis, Christos↗

Finite and infinite matrix product states for Gutzwiller projected mean-field wave functions

Matrix product states (MPS) and “dressed” ground states of quadratic mean fields (e.g., Gutzwiller projected Slater determinants) are both important classes of variational wave functions. This latter class has played important roles in understanding superconductivity and quantum spin liquids. We present a method to obtain both the finite and infinite MPS (iMPS) representation of the ground state of an arbitrary fermionic quadratic mean-field Hamiltonian (which in the simplest case is a Slater determinant and in the most general case is a Pfaffian). We also show how to represent products of such states (e.g., determinants times Pfaffians). From this representation one can project to single occupancy and evaluate the entanglement spectra after Gutzwiller projection. We then obtain the MPS and iMPS representation of Gutzwiller projected mean-field states that arise from the variational slave-fermion approach to the S = 1 bilinear-biquadratic quantum spin chain. To accomplish this, we develop an approach to orthogonalize degenerate iMPS to find all the states in the degenerate ground-state manifold. We find the energies of the MPS and iMPS states match the variational energies closely, indicating the method is accurate and there is minimal loss due to truncation error. We then present an exploration of the entanglement spectra of projected slave-fermion states, exploring their qualitative features and finding good qualitative agreement with the respective exact ground-state spectra found from density matrix renormalization group.

1-dimensional spin chains↗

Artemis 1 Radiation Modeling and Analysis Using Operational Methods

The successful completion of the Artemis 1 mission has provided NASA with a significant volume of space radiation dosimetry data that can be used to verify the accuracy of current operational SRAG dose computation models and methods for Beyond LEO missions. High-Fidelity CAD models of the Artemis 1 MPCV Orion were raytraced in 10,000 directions per sensor location, including the location of Artemis HERA sensors, Artemis RAMs (TLDs), and the crew active dosimetry (CADs). The full Artemis 1 mission was modelled using the as-flown trajectory, Ap9-Ae9 IRENE providing the VAB trapped proton and electron environment, and the Badhwar-O’Neill 2020 model providing the freespace GCR environment. IGRF 12 was used to compute cutoff rigidities for the GCR environment in LEO. 1DHZETRN was used to estimate point doses at each sensor position. Computed RAM doses were within 5% of measured values. The computed VAB transit and freespace GCR dose rates showed good qualitative agreement with measured HERA values. An estimate of normalized mean effective dose for a hypothetical male crew member on Artemis 1 using current standard operational methods was computed to be 22.3 mSv.

Artemis 1↗

Computed Tomography Scanning and Geophysical Measurements of UW Enterprises LP 1-250512-129 Well in Southwestern Indiana

The computed tomography (CT) facilities and the Multi-Sensor Core Logger (MSCL) at the National Energy Technology Laboratory (NETL) in Morgantown, West Virginia, were used to characterize Illinois Basin core of the Upper Devonian-Early Mississippian New Albany Shale Formation from Posey County, Indiana. The primary impetus of this work is a collaboration between Indiana Geological and Water Survey at Indiana University Bloomington, NETL, and Woolsey Operating Company LLC to characterize and make publicly available core information from the New Albany Shale of the Illinois Basin. Core characterization of this unconventional oil/gas well will aid in understanding the lithology changes and the fracture complexity of the New Albany Shale. There is a potential for this formation to be developed in the future for critical mineral and rare earth element (CM/REE) extraction. The resultant datasets are presented in this report and can be accessed from NETL's Energy Data eXchange (EDX) online system using the following link: https://edx.netl.doe.gov/dataset/uw-enterprises. All equipment and techniques used were non-destructive, enabling future examinations and analyses to be performed on this core. None of the equipment used was suitable for direct visualization of the pore space in the fine-grained structures studied; however, fractures, discontinuities, and millimeter-scale features were readily detectable with the methods tested. Imaging with the NETL medical CT scanner was performed on the entire core. Targeted higher resolution CT scanning of select sections was performed with NETL’s industrial and micro-CT scanner. Qualitative analysis of the medical CT images, coupled with X-ray fluorescence (XRF), P-wave, and magnetic susceptibility measurements from the MSCL were useful in identifying zones of interest for more detailed analysis. The ability to quickly identify key areas for more detailed study with higher resolution will save time and resources in future studies. The combination of methods used provides a multi-scale analysis of the core; the resulting macro and micro descriptions are relevant to many subsurface energy related examinations traditionally performed at NETL.

58 GEOSCIENCES↗

Method of Green’s Potentials for Elliptic PDEs in Domains with Random Apertures

Problems with topological uncertainties appear in many fields ranging from nano-device engineering to the design of bridges. In many of such problems, a part of the domains boundaries is subjected to random perturbations making inefficient conventional schemes that rely on discretization of the whole domain. Here, we study elliptic PDEs in domains with boundaries comprised of a deterministic part and random apertures, and apply the method of modified potentials with Green’s kernels defined on the deterministic part of the domain. This approach allows to reduce the dimension of the original differential problem by reformulating it as a boundary integral equation posed on the random apertures only. The multilevel Monte Carlo method is then applied to this modified integral equation and its optimal ϵ -2 asymptotical complexity is shown. Finally, we provide the qualitative analysis of the proposed technique and support it with numerical results.

97 MATHEMATICS AND COMPUTING↗

Tracking Extremes in Exascale Simulations Utilizing Exascale Platforms

There is a growing recognition in the literature that understanding variability and trends in hydrometeorological extremes relies on understanding variability and trends in the meteorological phenomena that drive these extremes. Such phenomenon-focused understanding relies critically on a robust methodology for identifying the occurrence of these phenomena in observations and model output, but a robust methodology does not currently exist. There are a variety of heuristic methods reported in the literature for identifying, and in some cases temporally tracking, meteorological phenomena. However, there have been several intercomparison projects (and resulting papers) indicating that there is a large uncertainty associated with choices in the identification methods; this is the case for extratropical cyclones (ETCs), atmospheric rivers (ARs), and even tropical cyclones (TCs); and we hypothesize that this is a general issue with heuristic identification methods altogether. These studies clearly show that this identification uncertainty leads to a large, and previously under-recognized, quantitative and even qualitative uncertainty in our understanding of these phenomena. In light of these issues, we suggest that the field could be advanced by addressing two overarching questions. First, can we explicitly quantify uncertainty associated with detecting hydrometeorological phenomena? Second, can we decompose detection uncertainty into reducible and irreducible parts?

58 GEOSCIENCES↗

Predicting magnetic properties of single-molecule magnets from self-interaction-free density-functional theory (Final Report)

In this project we investigated electronic structure of an intermediate-sized copper-based molecule and magnetic and hyperfine properties of several small non-magnetic and magnetic molecules including transition-metal elements by applying self-interaction corrections to density functional theory (DFT). In a sufficient number of cases, DFT-calculated electronic structure and magnetic properties of single-molecule magnets qualitatively differ from corresponding experimental data. This is partly due to self-interacting electrons within the DFT formalism. Recently, an efficient method to correct the self-interactions was proposed, i.e., Fermi-Lowdin prbital (FLO) based self-interaction corrected (SIC) methodology, within DFT. Henceforth, this method is referred to as FLO-SIC method which exists in FLOSIC code. We used this FLO-SIC method for our studies of electronic structure and magnetic and hyperfine properties of small magnetic molecules and non-magnetic molecules. Our study will provide insight into predictions of magnetic properties of single-molecule magnets where self-interaction corrections play a critical role. There are two components of this project. In the first work, we studied the electronic structure of a planar mononuclear Cu-based molecule in two oxidation states, using DFT with the FLO-SIC method. We chose this system because it is small enough and it includes a transition metal element. We found that the standard FLO-SIC method takes too much compute time even for the small transition-metal molecule and so we slightly modified the method in order to expedite the process. In the dianionic state, we found that the FLO-SIC spin density agrees quantitatively with accurate quantum chemistry methods, while DFT spin density without self-interaction corrections are severely deviated from the quantum chemistry methods. We also showed that the energy gap between the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) of the dianionic state is larger than that of the monoanionic state. This result is consistent with experimental data. In the second work, we investigated how the interaction between the electron spin and nuclear spin is affected by electron self-interactions within small non-magnetic and magnetic molecules. Such an interaction is called hyperfine interaction. For molecules without significant orbital angular momentum, the hyperfine interaction consists of Fermi contact and dipolar interaction terms. Since the Fermi contact term depends on electron spin density at the nuclear site, it would be highly affected by self-interaction corrections. Therefore, we calculated the hyperfine interaction for the small molecules using DFT with the slightly modified expedited FLO-SIC method which was obtained in the first work, and compared the results to experimental data and DFT calculations without self-interaction corrections. We found significant improvement of the Fermi contact term computed using the FLO-SIC method for small magnetic molecules. Overall, the first and second work provided positive outlook of application of the FLO-SIC method to magnetic molecules and systems including transition-metal elements.

36 MATERIALS SCIENCE↗

Approach and Model Used to Represent a Timeline Analysis for Security Design Enhancements

Next-generation reactors will be able to use risk to inform and performance base the licensing of many aspects of the reactor, facility, and site design, including attributes of physical security. There are several factors related to security, including site topography, reactor design, and physical protection system components, to consider when designing the physical protection system into the overall facility design and plan of operation. With the versatility of advanced reactors, especially micro reactors, methods are needed to simplify and quickly evaluate potential timelines for designing a site configuration. This report describes an approach to generate qualitative and quantitative insights using a risk-informed simulation. The modeling process is described in detail, focusing on three aspects: (1) the facility mission time (the time required to control the plant until safe), (2) the attacker timeline (the time to potential sabotage), and (3) the response timeline (the time to counter the facility attack). The modeling capabilities also are extended to include facility physical phenomena such as thermal-hydraulics and heat transfer to capture realistic representation of dynamic changes to a facility. While the plant models and examples are hypothetical and do not represent a real facility, these modeling approaches could be used for future security-by-design engineering in advanced reactors. The outputs and insights from the modeling approach may be used to modify and optimize the security posture of a facility by efficiently making modifications to the model and seeing the overall impact from the modification. Lastly, use of the approach described in this report can also provide the technical basis for a physical protection program, describing how the facility and security strategy will cope with off-normal events.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A preliminary study of air-pollution measurement by active remote-sensing techniques

Air pollutants are identified, and the needs for their measurement from satellites and aircraft are discussed. An assessment is made of the properties of these pollutants and of the normal atmosphere, including interactions with light of various wavelengths and the resulting effects on transmission and scattering of optical signals. The possible methods for active remote measurement are described; the relative performance capabilities of double-ended and single-ended systems are compared qualitatively; and the capabilities of the several single-ended or backscattering techniques are compared quantitatively. The differential-absorption lidar (DIAL) technique is shown to be superior to the other backscattering techniques. The lidar system parameters and their relationships to the environmental factors and the properties of pollutants are examined in detail. A computer program that models both the atmosphere (including pollutants) and the lidar system is described. The performance capabilities of present and future lidar components are assessed, and projections are made of prospective measurement capabilities for future lidar systems. Following a discussion of some important operational factors that affect both the design and measurement capabilities of airborne and satellite-based lidar systems, the extensive analytical results obtained through more than 1000 individual cases analyzed with the aid of the computer program are summarized and discussed. The conclusions are presented. Recommendations are also made for additional studies to investigate cases that could not be explored adequately during this study.

Wright, M. L.↗

Electron and proton damage coefficients in low-resistivity silicon

The electron and proton damage coefficients for low resistivity p-type boron-doped silicon were determined from minority-carrier lifetime measurements on bulk material and diffusion length measurements on solar cells. The bulk samples were irradiated with electrons at three energy levels (0.5, 1.5, and 2.5 MeV) using a Dynamitron. Lifetime measurements were made with a steady-state photoconductivity apparatus, and comparison measurements of diffusion length were obtained using the steady-state surface photovoltage method (Goodman, 1961). The diffusion-length damage coefficients increased with decreasing resistivity for boron-doped silicon; this dependence can be qualitatively accounted for using a two-level Hall-Shockley-Read model. The damage coefficients for solar cells were larger than for their bulk-material counterparts. The damage coefficient was apparently independent of the dislocation density in the 0.1 ohm-cm bulk samples and solar cells investigated.

Srour, J. R.↗

Tropospheric UV flux calculations and photolysis rates for use with zonally and diurnally averaged models

A computationally fast and efficient method for calculating solar UV fluxes in the troposphere is developed. Calculated fluxes compare favorably with more rigorous multiple scattering results, and qualitatively correct behavior of the direct and diffuse flux components is maintained. In view of the relatively large uncertainties in other aspects of tropospheric photochemical models, the use of approximate UV flux calculations appears warranted. The technique is applied to the calculation of photolysis rates for twelve significant photolytic reactions of nine species.

Matloff, G. L.↗

Computational Investigation and Validation of Twin-Tail Buffet Response Including Dynamics and Control

Multidisciplinary tools for prediction of single rectangular-tail buffet are extended to single swept-back-tail buffet in transonic-speed flow, and multidisciplinary tools for prediction and control of twin-tail buffet are developed and presented. The configuration model consists of a sharp-edged delta wing with single or twin tails that are oriented normal to the wing surface. The tails are treated as cantilevered beams fixed at the root and allowed to oscillate in both bending and torsion. This complex multidisciplinary problem is solved sequentially using three sets of equations on a dynamic single or multi-block grid structure. The first set is the unsteady, compressible, Reynolds-averaged Navier-Stokes equations which are used for obtaining the flow field vector and the aerodynamic loads on the tails. The Navier-Stokes equations are solved accurately in time using the implicit, upwind, flux-difference splitting, finite volume scheme. The second set is the coupled bending and torsion aeroelastic equations of cantilevered beams which are used for obtaining the bending and torsion deflections of the tails. The aeroelastic equations'are solved accurately in time using, a fifth-order-accurate Runge-Kutta scheme. The third set is the grid-displacement equations and the rigid-body dynamics equations, which are used for updating the grid coordinates due to the tail deflections and rigid-body motions. The tail-buffet phenomenon is predicted for highly-swept, single vertical tail placed at the plane of geometric symmetry, and for highly-swept, vertical twin tails placed at three different spanwise separation distances. The investigation demonstrates the effects of structural inertial coupling and uncoupling of the bending and torsion modes of vibration, spanwise positions of the twin-tail, angle of attack, and pitching and rolling dynamic motions of the configuration model on the tail buffet loading and response. The fundamental issue of twin-tail buffet alleviation is addressed using two active flow-control methods. These methods are the tangential leading-edge blowing and the flow suction from the leading-edge vortex cores along their paths. Qualitative and quantitative comparisons with the available experimental data are presented. The comparisons indicate that the present multidisciplinary aeroelastic analysis tools are robust, accurate and efficient.

Kandil, Osama A.↗

The Use of Long-wave Infrared Cameras for Hazardous Waste Remediation - 20457

For over fifty years, infrared cameras have been used in military applications, nondestructive testing, condition monitoring, and predictive maintenance. As infrared cameras continue to become more sophisticated and less expensive, they are providing value in an ever-increasing variety of unique applications, including hazardous waste remediation. This paper describes several instances of how infrared cameras have been used within the US Department of Defense and the US Department of Energy in support of waste remediation projects, including the author's recent use of an infrared camera in support of the Calcine Retrieval Project at the Idaho National Laboratory. Infrared cameras provide images of infrared radiation, or heat energy, which is otherwise invisible to the unaided eye. Infrared radiation is part of the electromagnetic spectrum, which includes visible light. But unlike visible light, infrared has wavelengths longer than the human eye can detect. Infrared is emitted by everything with a temperature above absolute zero (-273 deg. C, or -459 deg. F); the higher the temperature, the greater the infrared thermal radiation, or heat, that is emitted. Even objects that feel cold to us, like ice, emit thermal radiation and can be imaged by infrared cameras. These cameras are typically used to look for abnormally hot or cold spots on a component or target area under normal operating conditions. The method provides a rapid, wide-area, noncontact technique for identifying problems associated with a temperature differential. All infrared cameras can provide qualitative thermal information by displaying relative differences in temperatures within a two-dimensional image. More expensive infrared cameras can also provide quantitative information where an absolute temperature value is assigned to each pixel associated with the displayed two-dimensional image. Proper camera calibration and a solid understanding of heat transfer and thermography techniques are required when using an infrared camera to obtain quantitative information. Case studies outlined in this paper include the rapid, non-intrusive detection of hazardous decontamination solution within one-ton shipping containers at Pine Bluff Arsenal, the non-intrusive identification of residual elemental sodium within the cooling loops of the Experimental Breeder Reactor II (EBR-II) reactor at the Idaho National Laboratory, process monitoring of heat exchanger melt-and-drain efforts during EBR-II decommissioning, and the remote detection of internal steel supports within calcine storage bins prior to bin penetration. For each use of thermography, the author describes a summary of the waste remediation effort, the infrared camera used, the thermal imaging technique employed, and the results obtained. The paper concludes with a discussion on common mistakes to avoid for similar applications of thermography. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Application of the CSCM method to the design of wedge cavities

This paper describes the application of the conservative supra characteristic method (CSCM) to predict the flow around two-dimensional slot injection cooled cavities in hypersonic flow. Seven different numerical solutions are presented that model three different experimental designs. The calculations manifest outer flow conditions including the effects of nozzle/lip geometry, angle of attack, nozzle inlet conditions, boundary and shear layer growth and turbulance on the surrounding flow. The calculations were performed for analysis prior to wind tunnel testing for sensitivity studies early in the design process. Qualitative and quantitative understanding of the flows for each of the cavity designs and design recommendations are provided. The present paper demonstrates the ability of numerical schemes, such as the CSCM method, to play a significant role in the design process.

Venkatapathy, Ethiraj↗

Air Quality Monitoring Case Study Using Mobile Low-cost Sensors Mounted on Trash-Trucks: Methods Development and Lessons Learned

Air quality monitoring (AQM) is crucial for cities to develop management plans supporting population health. However, there is a dearth of measurements due to the high cost of standard reference instruments. Mobile AQM using low-cost sensors deployed on routine fleets of vehicles can enable the continuous detection of fine-scale pollutant variations in cities at a lower cost. New methods need to be developed to interpret these measurements. This paper presents three such methods. First, we propose a technique to identify aerosol hotspots. Second, we employ techniques published previously to assess the generalizable map of fine and coarse particle number concentrations, to understand qualitatively the contribution of local and regional sources across the region sampled. By using the raw number concentration of differently sized particles from the Optical Particle Counters (OPCs) instead of the noisier mass concentrations, we obtain more robust results. Third, in order to evaluate source signatures in cities, we propose another technique, in which we cluster the entire range of aerosol size-distribution measurements acquired. The properties of each cluster provide insight into the aerosol source characteristics in the sampling environment. We test these methods using a dataset we collected by mounting OPCs on two trash-trucks in Cambridge, Massachusetts.

Drive-by sensing↗