Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “sparse factorization”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 397 records · Page 22

SU-E-I-21: Deformation Mapping and Shape Prediction with 3D Tumor Volume Morphing

Purpose: To compare projection-based versus global correction that compensate for deadtime count loss in SPECT/CT images. Methods: SPECT/CT images of an IEC phantom (2.3GBq 99mTc) with ∼10% deadtime loss containing the 37mm (uptake 3), 28 and 22mm (uptake 6) spheres were acquired using a 2 detector SPECT/CT system with 64 projections/detector and 15 s/projection. The deadtime, Ti and the true count rate, Ni at each projection, i was calculated using the monitor-source method. Deadtime corrected SPECT were reconstructed twice: (1) with projections that were individually-corrected for deadtime-losses; and (2) with original projections with losses and then correcting the reconstructed SPECT images using a scaling factor equal to the inverse of the average fractional loss for 5 projections/detector. For both cases, the SPECT images were reconstructed using OSEM with attenuation and scatter corrections. The two SPECT datasets were assessed by comparing line profiles in xyplane and z-axis, evaluating the count recoveries, and comparing ROI statistics. Higher deadtime losses (up to 50%) were also simulated to the individually corrected projections by multiplying each projection i by exp(-a*Ni*Ti), where a is a scalar. Additionally, deadtime corrections in phantoms with different geometries and deadtime losses were also explored. The same two correction methods were carried for all these data sets. Results: Averaging the deadtime losses in 5 projections/detector suffices to recover >99% of the loss counts in most clinical cases. The line profiles (xyplane and z-axis) and the statistics in the ROIs drawn in the SPECT images corrected using both methods showed agreement within the statistical noise. The count-loss recoveries in the two methods also agree within >99%. Conclusion: The projection-based and the global correction yield visually indistinguishable SPECT images. The global correction based on sparse sampling of projections losses allows for accurate SPECT deadtime loss correction while keeping the study duration reasonable.

60 APPLIED LIFE SCIENCES↗

The Global Positioning System constellation as a space weather monitor. Comparison of electron measurements with Van Allen Probes data

Energetic electron observations in Earth's radiation belts are typically sparse, and multipoint studies often rely on serendipitous conjunctions. This paper establishes the scientific utility of the Combined X-ray Dosimeter (CXD), currently flown on 19 satellites in the Global Positioning System (GPS) constellation, by cross-calibrating energetic electron measurements against data from the Van Allen Probes. By breaking our cross calibration into two parts—one that removes any spectral assumptions from the CXD flux calculation and one that compares the energy spectra—we first validate the modeled instrument response functions, then the calculated electron fluxes. Unlike previous forward modeling of energetic electron spectra, we use a combination of four distributions that together capture a wide range of observed spectral shapes. Moreover, our two-step approach allowed us to identify, and correct for, small systematic offsets between block IIR and IIF satellites. Using the Magnetic Electron Ion Spectrometer and Relativistic Electron-Proton Telescope on Van Allen Probes as a “gold standard,” here we demonstrate that the CXD instruments are well understood. A robust statistical analysis shows that CXD and Van Allen Probes fluxes are similar and the measured fluxes from CXD are typically within a factor of 2 of Van Allen Probes at energies inline image4 MeV. Our team present data from 17 CXD-equipped GPS satellites covering the 2015 “St. Patrick's Day” geomagnetic storm to illustrate the scientific applications of such a high data density satellite constellation and therefore demonstrate that the GPS constellation is positioned to enable new insights in inner magnetospheric physics and space weather forecasting.

47 OTHER INSTRUMENTATION↗

A Resolved and Asymmetric Ring of PAHs within the Young Circumstellar Disk of IRS 48

For one decade, the spectral type and age of the ρ Oph object IRS-48 were subject to debate and mystery. Modeling its disk with mid-infrared to millimeter observations led to various explanations to account for the complex intricacy of dust holes and gas-depleted regions. We present multi-epoch high-angular-resolution interferometric near-infrared data of spatially resolved emissions in the first 15 au of IRS-48, known to have very strong polycyclic aromatic hydrocarbon (PAH) emissions within this dust-depleted region. We make use of new Sparse-Aperture-Masking data to instruct a revised radiative-transfer model, where spectral energy distribution fluxes and interferometry are jointly fitted. Neutral and ionized PAH, very small grains (VSG), and classical silicates are incorporated into the model; new stellar parameters and extinction laws are explored. A bright (42 L {sub ⊙}) and hence large (2.5 R {sub ⊙}) central star with A {sub v} = 12.5 mag and R {sub v} = 6.5 requires less near-infrared excess: the inner-most disk at ≈1 au is incompatible with the interferometric data. The revised stellar parameters place this system on a 4 Myr evolutionary track, four times younger than the previous estimations, which is in better agreement with the surrounding ρ Oph region and disk-lifetime observations. The disk-structure solution converges to a classical-grain outer disk from 55 au combined with an unsettled and fully resolved VSG and PAH ring, between 11 and 26 au. We find two overluminosities in the PAH ring at color-temperatures consistent with the radiative transfer simulations; one follows a Keplerian circular orbit at 14 au. We show a depletion of a factor of ≈5 of classical dust grains up to 0.3 mm compared to very small particles: the IRS-48 disk is nearly void of dust grains in the first 55 au. A 3.5 M {sub Jup} planet on a 40 au orbit can qualitatively explain the new disk structure.

79 ASTRONOMY AND ASTROPHYSICS↗

Radiative transfer in shrub savanna sites in Niger: Preliminary results from HAPEX-Sahel. Part 3: Optical dynamics and vegetation index sensitivity to biomass and plant cover

A shrub savannah landscape in Niger was optically characterized utilizing blue, green, red and near-infrared wavelengths. Selected vegetation indices were evaluated for their performance and sensitivity to describe the complex Sahelian soil/vegetation canopies. Bidirectional reflectance factors (BRF) of plants and soils were measured at several view angles, and used as input to various vegetation indices. Both soil and vegetation targets had strong anisotropic reflectance properties, rendering all vegetation index (6) responses to be a direct function of sun and view geometry. Soil background influences were shown to alter the response of most vegetation indices. N-space greenness had the smallest dynamic range in VI response, but the n-space brightness index provided additional useful information. The global environmental monitoring index (GEMI) showed a large 6 dynamic range for bare soils, which was undesirable for a vegetation index. The view angle response of the normalized difference vegetation index (NDVI), atmosphere resistant vegetation index (ARVI) and soil atmosphere resistant vegetation index (SARVI) were asymmetric about nadir for multiple view angles, and were, except for the SARVI, altered seriously by soil moisture and/or soil brightness effects. The soil adjusted vegetation index (SAVI) was least affected by surface soil moisture and was symmetric about nadir for grass vegetation covers. Overall the SAVI, SARVI and the n-space vegetation index performed best under all adverse conditions and were recommended to monitor vegetation growth in the sparsely vegetated Sahelian zone.

vanLeeuwen, W. J. D.↗

Remotely sensed physical property estimation from powder contaminated surfaces

It is the intent of this paper to demonstrate the veracity of a method to estimate the total solid contaminant mass present on a sparsely coated surface encompassing a pixel from longwave infrared spectra. Sparsely coated surfaces create complex radiometry due to the interactions of electromagnetic energy between intimate materials. Current algorithms can be used on intimate mixtures to identify the abundances of materials in a pixel, but they cannot provide additional property information. Radiative transfer models can create mixture signatures, but only with a set of well-characterized physical parameters that are typically not known or are difficult to retrieve. Finally, the approach described here creates a parameter inversion model from a radiative transfer model and uses empirically measured mixture data to retrieve physical characteristics of the contaminated surface and derive a total contaminant mass present.

97 MATHEMATICS AND COMPUTING↗

Validation and Spatiotemporal Analysis of CERES Surface Net Radiation Product

The Clouds and the Earth’s Radiant Energy System (CERES) generates one of the few global satellite radiation products. The CERES ARM Validation Experiment (CAVE) has been providing long-term in situ observations for the validation of the CERES products. However, the number of these sites is low and their distribution is globally sparse, and particularly the surface net radiation product has not been rigorously validated yet. Therefore, additional validation efforts are highly required to determine the accuracy of the CERES radiation products. In this study, global land surface measurements were comprehensively collected for use in the validation of the CERES net radiation (R n ) product on a daily (340 sites) and a monthly (260 sites) basis, respectively. The validation results demonstrated that the CERES R n product was, overall, highly accurate. The daily validations had a Mean Bias Error (MBE) of 3.43 W·m -2 , Root Mean Square Error (RMSE) of 33.56 W·m -2 , and R 2 of 0.79, and the monthly validations had an MBE of 3.40 W·m -2 , RMSE of 25.57 W·m -2 , and R 2 of 0.84. The accuracy was slightly lower for the high latitudes. Following the validation, the monthly CERES R n product, from March 2000 to July 2014, was used for a further analysis. The global spatiotemporal variation of the R n , which occurred during the measurement period, was analyzed. In addition, two hot spot regions, the southern Great Plains and south-central Africa, were then selected for use in determining the driving factors or attribution of the R n variation. We determined that R n over the southern Great Plains decreased by -0.33 W·m -2 per year, which was mainly driven by changes in surface green vegetation and precipitation. In south-central Africa, R n decreased at a rate of -0.63 W·m -2 per year, the major driving factor of which was surface green vegetation

54 ENVIRONMENTAL SCIENCES↗

A comparative study of discrete fracture network and equivalent continuum models for simulating flow and transport in the far field of a hypothetical nuclear waste repository in crystalline host rock

One of the major challenges of simulating flow and transport in the far field of a geologic repository in crystalline host rock is related to reproducing the properties of the fracture network over the large volume of rock with sparse fracture characterization data. Various approaches have been developed to simulate flow and transport through the fractured rock. The approaches can be broadly divided into Discrete Fracture Network (DFN) and Equivalent Continuum Model (ECM). The DFN explicitly represents individual fractures, while the ECM uses fracture properties to determine equivalent continuum parameters. In this paper, we compare DFN and ECM in terms of upscaled observed transport properties through generic fracture networks. The major effort was directed on making the DFN and ECM approaches similar in their conceptual representations. This allows for separating differences related to the interpretation of the test conditions and parameters from the differences between the DFN and ECM approaches. The two models are compared using a benchmark test problem that is constructed to represent the far field (1 × 1 × 1 km 3 ) of a hypothetical repository in fractured crystalline rock. The test problem setting uses generic fracture properties that can be expected in crystalline rocks. The models are compared in terms of the: 1) effective permeability of the domain, and 2) nonreactive solute breakthrough curves through the domain. The principal differences between the models are mesh size, network connectivity, matrix diffusion and anisotropy. We demonstrate how these differences affect the flow and transport. Finally, we identify the factors that should be taken in consideration when selecting an approach most suitable for the site-specific conditions.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Assessment of the Impact of Discontinuity in Satellite Instruments and Retrievals on Global PM2.5

Exposure to fine particulate matter (PM2.5) is the leading environmental risk factor for mortality globally. Satellite-derived estimates of surface PM2.5 developed from a combination of satellites, simulations, and ground monitor data are relied upon for health impact studies. The ability to develop satellite-derived PM2.5 estimates requires the continued availability of aerosol optical depth (AOD) sources. This work examines the impact of the addition or loss of satellite AOD data sources on global PM2.5 estimation and the impact of continuing the longterm record with AOD from the Visible Infrared Imaging Radiometer Suite (VIIRS) on the Suomi-National Polar orbiting Partnership (S-NPP) satellite after the loss of the MODIS (MODerate resolution Imaging Spectroradiometer) and MISR (Multi-angle Imaging Spectroradiometer) instruments on board the Terra and Aqua satellites. We find that the addition of VIIRS S-NPP AOD products to geophysical PM2.5 estimates from satellites and simulations causes regional differences that correspond to differences in the VIIRS and MODIS Deep Blue AOD algorithms and sampling. Changes in long-term trends and timeseries due to the addition or loss of AOD data sources are generally within their uncertainties. Statistical fusion with ground monitor data partially corrects for changes due to sampling differences when introducing the VIIRS AOD products, but uncertainty remains over desert regions where ground monitor coverage is sparse. This work provides promise for the sustained development of global satellite-derived PM2.5 estimates, despite discontinuities in instruments and retrieval methods.

Remote sensing↗

GeoThermalCloud: Cloud Fusion of Big Data and Multi-Physics Models using Machine Learning for Discovery, Exploration, and Development of Hidden Geothermal Resources

The primary goals of this project are exploring hidden geothermal resources in the U.S.A. and designing profitable enhanced geothermal systems (EGS). Many processes and parameters control geothermal exploration and energy production from geothermal fields. Diverse datasets (e.g., geology, geochemistry, geophysics, satellite, airborne geophysics) are available to help characterize subsurface geothermal conditions. Sparse and multi-scale characteristics of these datasets prohibit properly leveraging these datasets for geothermal exploration and profitable EGS design. Recent advancements in machine learning (ML) promise to resolve these issues. The tremendous challenges and risks of geothermal exploration and production bring the demand for novel ML methods and tools that can (1) analyze large field datasets, (2) assimilate model simulations (large inputs and outputs), (3) process sparse datasets, (4) perform transfer learning (between sites with different exploratory levels), (5) extract hidden geothermal signatures in the field and simulation data, (6) label geothermal resources and processes, (7) identify high-value data acquisition targets, and (8) guide geothermal exploration and production by selecting optimal exploration, production, and drilling strategies. To address these necessities, ML-based geothermal resources exploration and enhanced geothermal systems (EGS) design tools have been developed. The exploration tool is called GeoThermalCloud and EGS design tool is called GeoDT-ML. GeoThermalCloud (https://github.com/SmartTensors/GeoThermalCloud.jl) utilizes a LANL unsupervised ML platform called SmartTensors (https://tensors.lanl.gov/) to automate data analyses and interpretations by extracting hidden signatures to identify geothermal prospects. Also, it enables the identification of critical measurements needed to identify geothermal resource signatures. Alternatively, GeoDT-ML (https://github.com/SmartTensors/GeoThermalCloud.jl/tree/master/EGS) is an ML-based alternative to GeoDT (https://github.com/GeoDesignTool/GeoDT.git), a fast, simplified multi-physics solver to evaluate EGS project designs in uncertain geologic systems. GeoDT-ML leverages recent advances in deep learning and high-performance computing. It is a faster and simpler version of GeoDT. To make this project a success, we used capabilities of LANL, PNNL, Google, Stanford, and Julia Computing. We analyzed eight datasets of the U.S.A. using GeothermalCloud and demonstrated potential highly prospective geothermal resources and identified key factors defining highly prospective sites. The first data set includes 44 locations in southwest New Mexico and 18 geological, hydrogeological, geophysical, geothermal, geochemical attributes. We defined low- and medium-temperature hydrothermal systems and discovered a new highly prospective site. The second data set analyzed 18 shallow water chemistry attributes at 14,342 locations in the Great Basin. It demarcated modestly, moderately, and highly prospective sites including key attributes for each type of prospectivity. The third data set analyzed Utah FORGE data including satellite (InSAR), geophysical (gravity, seismic), geochemical, and geothermal attributes. Here, we performed prospectivity analysis to identify future drilling locations using geological, geochemical, and geophysical attributes. Maps of temperature at depth and heat flow are constructed based on the available data. Prospectivity maps were generated, and drilling locations were proposed for future geothermal field exploration. The fourth data set analyzed 21 attributes at 120 locations in Tularosa Basin, New Mexico; data comes from past play fairway analyses in this region. ML analyses identified geothermal signatures associated with modestly, moderately, and highly hydrothermal systems. We also defined dominant attributes and spatial distribution of the geothermal signatures. The fifth, sixth, seventh, and eighth datasets include Tohatchi Springs, New Mexico, Hawaii, Brady site, Nevada, and EGS Collab, respectively. Moreover, we coupled GeothermalCloud and magnetotellurics data to pinpoint drilling locations for developing geothermal projects in the Tularosa Basin, New Mexico. GeothermalCloud found potential prospective locations for geothermal resources near White Sands Missile Range and McGregor Range at Fort Bliss. Magnetotellurics data determined the potential depth (~1800m) of geothermal prospects at McGregor Range based on apparent resistivity structures/layers in the subsurface. The McGregor Range consists of three resistivity layers and two resistivity structures. Magnetotellurics data also helps identify that the western portion of the McGregor Range has thick and low-resistivity earth materials. The low resistivity to the west is most likely for a fault system. Assuming temperature is consistent with a geothermal reservoir, the west-central part of the McGregor Range has the highest geothermal potential because of the increase in porosity and associated permeability attributed to the interpreted fault system. Also, we devised a coupling strategy between a process model and GeothermalCloud to characterize hydrogeological conditions and geothermal conditions, respectively. The process model characterizes hydrogeological and geothermal conditions on highly prospective geothermal sites provided by GeothermalCloud. We developed a physics-informed neural network (PINN) version of the Burns equation that can be easily coupled with GeothermalCloud. Furthermore, we performed an optimal design decision maximizing the economic value of an EGS power plant. This study optimized the range of well spacing between injection and production wells maximizing net present value in dollars (NPV). For this task, we used the GeoDT to simulate the Utah FORGE EGS development cycle from the initial well design to the end of production. Next, we accomplished another crucial task, which is predicting permeability of geothermal reservoirs. Predicting permeability of geothermal reservoirs is a non-trivial task because of huge computational runtime of simulation and lack of measurements. To avoid these limitations, we used easy-to-measure chemical concentrations in the subsurface as measurement data and convolutional neural network based ML model of a high-fidelity model. Next, we predicted permeability using Markov chain Monte Carlo simulation. We found that Markov chain Monte Carlo simulation predicts permeability with a high certainty if the prediction zone in the simulation area has chemical concentration data. Finally, we analyzed the DOE funded INGENIOUS and GeoDAWN projects data. For discovering hidden geothermal systems in the Great Basin, the INGENIOUS project accumulated old data, collected new data, and released them in 2022. The dataset includes a total of 24 geological, geophysical, and geochemical attributes. Data resolution and scale significantly vary prohibiting an appropriate usage. To avoid such limitations, we brought all data in the same resolution and scale by applying the inverse distance weighting interpolation technique for predicting data in unsampled locations. Subsequently, we analyzed LiDAR data of the GeoDAWN project. We received data in tiles format. The DOE’s overarching goal is to use ML on LiDAR data for finding favorable geological structures (e.g., step up faults in Brady, Nevada). To serve the purpose, we need to label favorable geologic structures that correspond to LiDAR data. We wrote an algorithm to label the LiDAR data with the favorable geologic structures.

15 GEOTHERMAL ENERGY↗

Effectiveness of Redundant Communications Systems in Maintaining Operational Control of Small Unmanned Aircraft

NASA has been researching prototype technologies for an Unmanned Aircraft System (UAS) Traffic Management (UTM) system to facilitate enabling of safe and efficient civilian low-altitude airspace and UAS operations, in a series of Technical Capability Levels (TCL) activities that are increasingly complex. In TCL1, completed in 2015, visual line-of-sight operations such as agriculture, firefighting and infrastructure monitoring were addressed with a focus on geofencing and operations scheduling. Technologies and requirements needed for beyond visual line-of-sight (BVLOS) operations in sparsely populated areas were examined in TCL2 in 2016, and those for operations over moderately populated areas in TCL3 in 2017 and 2018. TCL4 will build on the earlier TCLs and focus on technologies and requirements for operations in higher-density urban areas for tasks such as news gathering, package delivery and for managing large-scale contingencies. This paper describes a communications test conducted in TCL3 and discusses insights gained from the test. In the test, operators were directed to equip UAS with redundant Command and Control (C2) communications systems, send a maneuver command to Unmanned Aircraft (UA) via the primary system, then verify execution of the sent command. This exercise was repeated with each redundant system. The test was designed to assess effectiveness of redundant C2 systems in maintaining operational control of UA. Several UAS were configured with varying arrangements to achieve redundancy, including two identical radio modems using the same frequency band, WiFi and Long-Term Evolution (LTE) cellular modems, etc. From the test, digital data such as time maneuver command sent, time maneuver verified, etc., were collected. Descriptions of methods to detect loss of C2 communications and contingency steps for such event were collected and assessed. The final paper will include a detailed analysis of the collected data leading to the following insights. First, effectiveness of redundant C2 systems depends on several factors, such as operational environment and communications service availability. For example, use of two identical point-to-point radio to connect operator and UA on the same frequency band can be effective in mitigating radio malfunction when operating in an environment where possibility of Radio Frequency (RF) interference is low, such as over open plains. However, the same arrangement may not be effective where high level of RF transmissions in broad spectrum ranges can be expected, such as over or near urban areas. For redundant systems that consist of external communications services, such as cellular and satellite communications network, redundancy is maintained only in the areas where more than one services are available. Therefore, UAS operators should have the means to plan for and monitor the performance of external communications services they are relying on to control UA. Second, communications performance needs, such as the minimum data transfer rate and the maximum tolerable latency, should be assessed to reflect the potential hazard that can come from loss of UA control. For example, UA operations over desolate area pose less hazard to people than operations over densely populated area and performance need for the former would be less than the latter.

Jung, Jaewoo↗

TU-A-BRD-01: Outcomes of Hypofractionated Treatments - Initial Results of the WGSBRT

Stereotactic Body Radiation Therapy (SBRT) has emerged in recent decades as a treatment paradigm that is becoming increasingly important in clinical practice. Clinical outcomes data are rapidly accumulating. Although published relations between outcomes and dose distributions are still sparse, the field has progressed to the point where evidence-based normal tissue dose-volume constraints, prescription strategies, and Tumor Control Probability (TCP) and Normal Tissue Complication Probability (NTCP) models can be developed. The Working Group on SBRT (WGSBRT), under the Biological Effects Subcommittee of AAPM, is a group of physicists and physicians working in the area of SBRT. It is currently performing critical literature reviews to extract and synthesize usable data and to develop guidelines and models to aid with safe and effective treatment. The group is investigating clinically relevant findings from SBRT in six anatomical regions: Cranial, Head and Neck, Thoracic, Abdominal, Pelvic, and Spinal. In this session of AAPM 2014, interim results are presented on TCP for lung and liver, NTCP for thoracic organs, and radiobiological foundations:• Lung TCP: Detailed modeling of TCP data from 118 published studies on early stage lung SBRT investigates dose response and hypothesized mechanisms to explain the improved outcomes of SBRT. This is presented from the perspective of a physicist, a physician, and a radiobiologist.• Liver TCP: For primary and metastatic liver tumors, individual patient data were extracted from published reports to examine the effects of biologically effective dose on local control.• Thoracic NTCP: Clinically significant SBRT toxicity of lung, rib / chest wall and other structures are evaluated and compared among published clinical data, in terms of risk, risk factors, and safe practice.• Improving the clinical utility of published toxicity reports from SBRT and Hypofractionated treatments. What do we want, and how do we get it? Methods and problems of synthesizing data from published reports. Learning Objectives: Common SBRT fractionation schemes and current evidence for efficacy. Evidence for normal tissue tolerances in hypofractionated treatments. Clinically relevant radiobiological effects at large fraction sizes.

60 APPLIED LIFE SCIENCES↗

Variability in soil redox response to seasonal flooding in a vernal pond

Vernal ponds are ephemeral landscape features that experience intermittent flooding and drying, leading to variable saturation in underlying soils. Redox potential (E h ) is an important indicator of biogeochemical processes that changes in response to these hydrological shifts; however, high-resolution measurements of E h in variably inundated environments remain sparse. In this study, the responses of soil E h to ponding, drying, and rewetting of a vernal pond were investigated over a 5-month period from late spring through early autumn. Soil E h was measured at 10-min frequencies and at multiple soil depths (2–48 cm below the soil surface) in shallow and deep sections within the seasonally ponded lowland and in unsaturated soils of the surrounding upland. Over the study period, average E h in surface soils (0–8 cm) was oxidizing in the upland (753 ± 79 mV) but relatively reducing in the shallow lowland (369 ± 49 mV) and deep lowland (198 ± 37 mV). Reducing conditions (E h <300 mV) in surface soils prevailed for up to 6 days in the shallow lowland and up to 24 days in the deep lowland after surface water dried out. Intermittent reflooding resulted in multiple shifts between reducing and oxidizing conditions in the shallow lowland while the deep lowland remained reducing following reflooding. Soil E h in the uplands was consistently oxidizing over the study period with transient increases in response to rain events. Reducing conditions in the lowland resulted in greater Fe-oxide dissolution and release of dissolved Fe and P into porewater than in the surrounding uplands. We determined that change in water depth alone was not a good indicator of soil E h , and additional factors such as soil saturation and clay composition should be considered when predicting how E h responds to surface flooding and drying. These findings highlight the spatial and temporal variability of E h within ponds and have implications for how soil processes and ecosystem function are impacted by shifts in hydrology at terrestrial-aquatic interfaces.

54 ENVIRONMENTAL SCIENCES↗

Deflation as a method of variance reduction for estimating the trace of a matrix inverse

Many fields require computing the trace of the inverse of a large, sparse matrix. The typical method used for such computations is the Hutchinson method which is a Monte Carlo (MC) averaging over matrix quadratures. To improve its convergence, several variance reductions techniques have been proposed. In this paper, we study the effects of deflating the near null singular value space. We make two main contributions. First, we analyze the variance of the Hutchinson method as a function of the deflated singular values and vectors. Although this provides good intuition in general, by assuming additionally that the singular vectors are random unitary matrices, we arrive at concise formulas for the deflated variance that include only the variance and mean of the singular values. We make the remarkable observation that deflation may increase variance for Hermitian matrices but not for non-Hermitian ones. This is a rare, if not unique, property where non-Hermitian matrices outperform Hermitian ones. The theory can be used as a model for predicting the benefits of deflation. Second, we use deflation in the context of a large scale application of "disconnected diagrams" in Lattice QCD. On lattices, Hierarchical Probing (HP) has previously provided an order of magnitude of variance reduction over MC by removing "error" from neighboring nodes of increasing distance in the lattice. Although deflation used directly on MC yields a limited improvement of 30% in our problem, when combined with HP they reduce variance by a factor of over 150 compared to MC. For this, we pre-computated 1000 smallest singular values of an ill-conditioned matrix of size 25 million. Furthermore, using PRIMME and a domain-specific Algebraic Multigrid preconditioner, we perform one of the largest eigenvalue computations in Lattice QCD at a fraction of the cost of our trace computation.

97 MATHEMATICS AND COMPUTING↗

An experimental and ab initio study of the electronic spectrum of the jet-cooled F{sub 2}BO free radical

We have studied the B{sup ~} {sup 2}A{sub 1}–X{sup ~} {sup 2}B{sub 2} laser-induced fluorescence (LIF) spectrum of the jet-cooled F{sub 2}BO radical for the first time. The transition consists of a strong 0{sub 0}{sup 0} band at 446.5 nm and eight weak sequence bands to shorter wavelengths. Single vibronic level emission spectra obtained by laser excitation of individual levels of the B{sup ~} state exhibit two electronic transitions: a very weak, sparse B{sup ~}–X{sup ~} band system in the 450–500 nm region and a stronger, more extensive set of B{sup ~} {sup 2}A{sub 1}–A{sup ~} {sup 2}B{sub 1} bands in the 580–650 nm region. We have also performed a series of high level ab initio calculations to predict the electronic energies, molecular structures, vibrational frequencies, and rotational and spin-rotation constants in the X{sup ~} {sup 2}B{sub 2}, A{sup ~2}B{sub 1} and B{sup ~} {sup 2}A{sub 1} electronic states as an aid to the analysis of the experimental data. The theoretical results have been used as input for simulations of the rotationally resolved B{sup ~} {sup 2}A{sub 1}–X{sup ~} {sup 2}B{sub 2} 0{sub 0}{sup 0} LIF band and Franck-Condon profiles of the LIF and single vibronic level emission spectra. The agreement between the simulations obtained with purely ab initio parameters and the experimental spectra validates the geometries calculated for the ground and excited states and the conclusion that the radical has C{sub 2v} symmetry in the X{sup ~}, A{sup ~}, and B{sup ~} states. The spectra provide considerable new information about the vibrational energy levels of the X{sup ~} and A{sup ~} states, but very little for the B{sup ~} state, due to the very restrictive Franck-Condon factors in the LIF spectra.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An Investigation Into Some Important Aspects of Droplet Breakup/Vaporization Behavior Caused By a Gas Flow (Both Nonreacting & Detonative Combustion) in a Shock Tube

As a part of the rotating detonation engine (RDE) technology enablement project at NASA Glenn Research Center (GRC), an effort was undertaken to extend our current computational capabilities of OpenNCC in some important ways with the implementation of a modeling approach to account for the droplet breakup caused by a shock-induced gas motion, & a vaporization model valid over a wide range of pressure conditions encountered in multiphase detonation. With the modified code, a study was undertaken to investigate the individual droplet behavior followed by the passage of a shock front. The study is carried out by tracking a sparse group of droplets to gain some understanding of shock induced droplet behavior under various shock strengths & fuel injector conditions. The study also looks into the effect of randomization involved in determining the droplet breakup outcomes. Over a wide range of sub-critical conditions examined, larger droplets are observed to undergo significant changes in droplet behavior following their breakup. However, smaller droplets (10 µm or less ) remain unaffected by any shock induced breakup. In a follow-on work, we investigated the impact of shock and droplet interaction in a detonation study involving both gaseous as well as gas/liquid (droplet clouds) fuel/air stoichiometric mixtures in a simple 3D shock-tube configuration. The droplet clouds are made up of different initial droplet sizes of either 6, 10, or 30 µm. We also investigated the individual droplet behavior followed by the passage of a detonation front. The results represent conditions that lead to both overdriven and C-J (ChapmanJouguet) detonations. Under both test conditions, most of the droplet vaporization is completed within a short distance (duration) behind the detonation front & well within the region of complete combustion observed in a corresponding equivalent gas-phase fuel/air mixture. The impact of the shock-induced droplet breakup is found to be significant in the calculations involving the 30-µm droplets. Subsequent to the breakup, the drop sizes vary from 1 to 10 µm. Another factor that contributed to the observed rapid vaporization is the result of vaporization taking place under supercritical conditions. The overall detonation properties of various droplet clouds (made up of different initial sizes) are similar to those observed in a corresponding gaseous fuel/air mixture. In the calculation involving a gaseous fuel, the calculated C-J detonation velocity is 1822 m/s involving Jet-A/air and φ = 1. In the overdriven detonation, it is 2044 m/s. In the calculations involving droplet clouds, the corresponding detonation velocities are lower. The impact of increased droplet size is primarily seen in a higher reduction in the detonation velocity.

shock/droplet interaction↗

An Algebraic Multilevel Preconditioner with Low-Rank Corrections for Sparse Symmetric Matrices

In this work, we describe a multilevel preconditioning technique for solving sparse symmetric linear systems of equations. This “Multilevel Schur Low-Rank” (MSLR) preconditioner first builds a tree structure $\mathcal{T}$ based on a hierarchical decomposition of the matrix and then computes an approximate inverse of the original matrix level by level. Unlike classical direct solvers, the construction of the MSLR preconditioner follows a top-down traversal of $\mathcal{T}$ and exploits a low-rank property that is satisfied by the difference between the inverses of the local Schur complements and specific blocks of the original matrix. A few steps of the generalized Lanczos tridiagonalization procedure are applied to capture most of this difference. Numerical results are reported to illustrate the efficiency and robustness of the MSLR preconditioner with both two- and three-dimensional discretized PDE problems and with publicly available test problems.

97 MATHEMATICS AND COMPUTING↗

Comparison of Satellite-Derived and In-Situ Observations of Ice and Snow Surface Temperatures over Greenland

The most practical way to get a spatially broad and continuous measurements of the surface temperature in the data-sparse cryosphere is by satellite remote sensing. The uncertainties in satellite-derived LSTs must be understood to develop internally-consistent decade-scale land-surface temperature (LST) records needed for climate studies. In this work we assess satellite-derived "clear-sky" LST products from the Moderate Resolution Imaging Spectroradiometer (MODIS) and the Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER), and LSTs derived from the Enhanced Thematic Mapper Plus (ETM+) over snow and ice on Greenland. When possible, we compare satellite-derived LSTs with in-situ air-temperature observations from Greenland Climate Network (GC-Net) automatic-weather stations (AWS). We find that MODIS, ASTER and ETM+ provide reliable and consistent LSTs under clear-sky conditions and relatively-flat terrain over snow and ice targets over a range of temperatures from -40 to 0 C. The satellite-derived LSTs agree within a relative RMS uncertainty of approx.0.5 C. The good agreement among the LSTs derived from the various satellite instruments is especially notable since different spectral channels and different retrieval algorithms are used to calculate LST from the raw satellite data. The AWS record in-situ data at a "point" while the satellite instruments record data over an area varying in size from: 57 X 57 m (ETM+), 90 X 90 m (ASTER), or to 1 X 1 km (MODIS). Surface topography and other factors contribute to variability of LST within a pixel, thus the AWS measurements may not be representative of the LST of the pixel. Without more information on the local spatial patterns of LST, the AWS LST cannot be considered valid ground truth for the satellite measurements, with RMS uncertainty approx.2 C. Despite the relatively large AWS-derived uncertainty, we find LST data are characterized by high accuracy but have uncertain absolute precision.

Hall, Dorothy K.↗

Parameter Sensitivity Analysis of the SparTen High Performance Sparse Tensor Decomposition Software (Extended Analysis)

Tensor decomposition models play an increasingly important role in modern data science applications. One problem of particular interest is fitting a low-rank Canonical Polyadic (CP) tensor decomposition model when the tensor has sparse structure and the tensor elements are nonnegative count data. SparTen is a high-performance C++ library which computes a low-rank decomposition using different solvers: a first-order quasi-Newton or a second-order damped Newton method, along with the appropriate choice of runtime parameters. Since default parameters in SparTen are tuned to experimental results in prior published work on a single real-world dataset conducted using MATLAB implementations of these methods, it remains unclear if the parameter defaults in SparTen are appropriate for general tensor data. Furthermore, it is unknown how sensitive algorithm convergence is to changes in the input parameter values. This report addresses these unresolved issues with large-scale experimentation on three benchmark tensor data sets. Experiments were conducted on several different CPU architectures and replicated with many initial states to establish generalized profiles of algorithm convergence behavior.

97 MATHEMATICS AND COMPUTING↗