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

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At least 811 records · Page 45

Data-assimilated time-lapse visco-acoustic full-waveform inversion: Theory and application for injected CO 2 plume monitoring

Continuous seismic monitoring for quantifying CO 2 plume migration and detection of any potential leakages in the subsurface is essential for the security of long-term anthropogenic carbon dioxide geologic storage. Traditional time-lapse full-waveform inversion (TLFWI) methods aim to map the CO 2 distribution by estimating seismic velocity changes, but recent studies find that CO 2 -induced attenuation is an important complement to seismic velocity for tracking the CO 2 plumes and even quantifying the CO 2 saturation. We have developed a novel data-assimilated TLFWI method to construct high-resolution time-lapse velocity and attenuation changes from dense time-lapse monitoring data. This method consists of two theoretical developments: visco-acoustic full-waveform inversion (QFWI) and multiparameter hierarchical matrix-powered extended Kalman filter (mHiEKF). The method is capable of (1) posing temporal constraints to retrieve time-lapse information from dense monitoring data by using mHiEKF, (2) accurately recovering high-spatial-resolution velocity and attenuation perturbations using first-order equation system-based QFWI, and (3) providing the model uncertainty by estimating their model standard deviation. With numerical examples, we first find the effectiveness of the new QFWI on estimating accurate velocity and attenuation models simultaneously. Then, a CO 2 leakage case and a realistic Frio-II CO 2 monitoring case are presented to find the advantages and applicability of our data-assimilated QFWI method for estimating time-lapse changes using dense time-lapse monitoring surveys. Here, by assimilating time-lapse seismic monitoring data over time, our data-assimilated QFWI method can improve the resolution of velocity and attenuation changes and decrease their model uncertainties.

58 GEOSCIENCES↗

Evaluation of Fabric Membranes for Use in Saltstone Drain Water System

Saltstone Disposal Unit 2 contains a sheet drain fabric intended to separate solids from drain water to be returned to the Salt Feed Tank. A similar system installed in Vault 4 appears to be ineffective in keeping solids out of the drain water return lines. Waste Solidification Engineering is considering installation of an additional fabric membrane to supplement the existing sheet drain in SDU 2. Amerdrain 200 is the product currently installed in SDU 2. This product is no longer available, so Sitedrain 94 was used as the replacement product in this testing. Fabrics with apparent opening sizes of 10, 25, 50 and 100 microns were evaluated. These fabrics were evaluated under three separate test conditions, a water flow test, a solids retention test and a grout pour test. A flow test with water showed that installation of an additional filter layer will predictably reduce the theoretical flux through the sheet drain. The manufacturer reports the flux for Sitedrain 94 as 150 gpm/ft 2 by ASTM D-4491. This compares reasonably well with the 117 gpm/ft 2 obtained in this testing. A combination of the 10 micron fabric with Sitedrain 94 could be expected to decrease flux by about 10 times as compared to Sitedrain 94 alone. The different media were used to filter a slag and fly ash mixture from water. Slag historically has the smallest nominal particle size of the premix components. Cement was omitted from the test because of its reactivity with water would prohibit accurately particle size measurements of the filtered samples. All four media sizes were able to remove greater than 95% of particles larger than 100 microns from the slurry. The smaller opening sizes were increasingly effective in removing more particles. The 10 micron filter captured 15% of the total amount of solids used in the test. This result implies that some insoluble particles may still be able to enter the drain water collection system, although the overall solids rejection is significantly improved over the current design. Test boxes were filled with grout to evaluate the performance of the sheet drain and fabrics in a simulated vault environment. All of the tests produced a similar amount of drain water, between 8-11% of the amount of water in the mix, which is expected with the targeted formulation. All of the collected drain waters contained some amount of solids, although the 10 micron filter did not appear to allow any premix materials to pass through. The solids collected from this box are believed to consist of calcium carbonate based on one ICP-AES measurement. Any of the four candidate fabrics would be an improvement over the sheet drain alone relative to solids removal. The 10 micron fabric is the only candidate that stopped all premix material from passing. The 10 micron fabric will also cause the largest decrease in flux. This decrease in flux was not enough to inhibit the total amount of drain water removed, but may lead to increased time to remove standing water prior to subsequent pours in the facility. The acceptability of reduced liquid flux through the 10 micron fabric will depend on the amount of excess water to be removed, the time available for water removal and the total area of fabric installed at the disposal cell.

42 ENGINEERING↗

Software Development for Data Visualization and Analysis of PN-Diodes & MOSFET Devices

The U.S. Department of Energy has a broad mission to ensure the nation’s security by addressing ongoing environmental challenges, developing novel energy production technologies, and mitigating nuclear security concerns. These efforts benefit from developing more effective semiconductor materials and devices. The research discussed in this report aims to further the development of these new electronics by improving implementations of vertical device structures, which offer theoretically better performance compared to lateral structures. Specifically, it reviews the background and development of a new and easy-to-use program for data processing and analysis from experiments run on vertical gallium nitride power devices. Current vertical structures fall short in critical performance metrics, such as On-Resistance and Breakdown Voltage, due to poor management of the device’s electric field. Junction termination extensions, or JTEs, are a field management technique that increases a device’s resilience to expected failure modes by controlling its surface electric fields. Each JTE design requires significant experimental validation, consisting of hundreds of tested devices, each outputting an enormous set of data points. The new software includes multiple methods of filtering large sets of device testing data to identify and remove flawed devices, automate device analyses, and provide statistical breakdowns for four metrics used to define the effectiveness of the JTE and the current carrying capacity of the device. These results can then be related back to fabrication techniques and device design, and in the future, be combined with processing simulations to further improve our understanding of the JTE mechanisms.

97 MATHEMATICS AND COMPUTING↗

Machine Learning-driven Molecular Design for Therapeutic Discovery

The ongoing novel coronavirus pandemic (COVID-19) has highlighted the need for new therapeutics to counter the threat of emerging viral pathogens. The main proteases are a promising target for developing antiviral inhibitors. In this work, we utilized a novel combination of artificial intelligence-driven iterative design of covalent inhibitor candidates, physics-based computational modeling of protein-inhibitor interactions, and “All in One” Native MS biophysical assay screening and characterization of therapeutic candidates. With our existing expertise in hit generation using a particular scaffold as a starting point, we first generated tens of thousands of compounds that preserve the key scaffold. In order to optimize the candidates, we calculated about 136 descriptors consisting of 2D and 3D features for molecules targeting the SARS-CoV-2 Main protease (Mpro). These compounds were initially filtered according to properties and further sorted by predicted binding affinity using our automated docking modeling and machine learning methods. We tested a handful of candidates and identified two as inhibitors of Mpro with micromolar affinities.

59 BASIC BIOLOGICAL SCIENCES↗

A framework to analyze the stochastic harmonics and resonance of wind energy grid interconnection

This study addresses a modeling and analysis methodology for investigating the stochastic harmonics and resonance concerns of wind power plants (WPPs). Wideband harmonics from modern wind turbines are observed to be stochastic, associated with real power production, and they may adversely interact with the grid impedance and cause unexpected harmonic resonance if not comprehensively addressed in the planning and commissioning of the WPPs. These issues should become more critical as wind penetration levels increase. We thus propose a planning study framework comprising the following functional steps: First, the best-fitted probability density functions (PDFs) of the harmonic components of interest in the frequency domain are determined. In operations planning, maximum likelihood estimations followed by a chi-square test are used once field measurements or manufacturers' data are available. Second, harmonic currents from the WPP are represented by randomly-generating harmonic components based on their PDFs (frequency spectrum) and then synthesized for time-domain simulations via inverse Fourier transform. Finally, we conduct a comprehensive assessment by including the impacts of feeder configurations, harmonic filters, and the variability of parameters. We demonstrate the efficacy of the proposed study approach for a 100-MW offshore WPP consisting of 20 units of 5-MW full-converter turbines, a realistic benchmark system adapted from a WPP under development in Korea, and discuss lessons learned through this research.

17 WIND ENERGY↗

Lines, bellows, flexible hoses, and filters

Monograph organizes and presents significant experience and knowledge accumulated by NASA in development and operational programs. It reviews and assesses current design practices and establishes guidance for achieving greater consistency in design, increased reliability in end product, and greater efficiency in design effort.

Source record↗

Application of small-signal modeling and measurement techniques to the stability analysis of an integrated switching-mode power system

Small-signal modeling techniques are used in a system stability analysis of a breadboard version of a complete functional electrical power system. The system consists of a regulated switching dc-to-dc converter, a solar-cell-array simulator, a solar-array EMI filter, battery chargers and linear shunt regulators. Loss mechanisms in the converter power stage, including switching-time effects in the semiconductor elements, are incorporated into the modeling procedure to provide an accurate representation of the system without requiring frequency-domain measurements to determine the damping factor. The small-signal system model is validated by the use of special measurement techniques which are adapted to the poor signal-to-noise ratio encountered in switching-mode systems. The complete electrical power system with the solar-array EMI filter is shown to be stable over the intended range of operation.

Wong, R. C.↗

FM-to-Digital Converter

Circuit includes array of low-cost multivibrators. Inexpensive circuit converts frequency-modulated (FM) signal into digital signal. Consists of zero-crossing detector and series of monostable multivibrators and D-type flip-flops. Used to control filter.

Moniuszko, Michael↗

Vacuum deposited optical coatings experiment (AO 138-4)

The aim of this experiment was to test the optical behavior of 20 components and coatings subjected to space exposure. Most of them are commonly used for their reflective or transmittive properties in spaceborne optics. They consist in several kind of metallic and dielectric mirrors designed for the 0.12 to 10 microns spectrum, UV, and NIR bandpass filters, visible, and IR antireflecting coatings, visible/IR dichroic beam splitters, and visible beam splitter. The coatings were deposited on various substrates such as glasses, germanium, magnesium fluoride, quartz, zinc selenide, and kanigened aluminum. Several coating materials were used such as Al, Ag, Au, MgF2, LaF3, ThF3, ThF4, SiO2, TiO2, ZrO2, Al2O3, MgO, Ge, and ZnSe. Five samples of each component were manufactured. Two flight samples were mounted in such a way that one was directly exposed to space and the other looking backwards. The same arrangement was used for the spare samples stored on ground in a box identical to the flight one and they were kept under vacuum during the LDEF mission. Finally, one set of reference components was stocked in a sealed box under a dry nitrogen atmosphere. By comparing the preflight and postflight optical performances of the five samples of each component, it is possible to detect the degradations due to the space exposure.

Charlier, Jean↗

Ionospheric gravity wave measurements with the USU dynasonde

A method for the measurement of ionospheric Gravity Wave (GW) using the USU Dynasonde is outlined. This method consists of a series of individual procedures, which includes functions for data acquisition, adaptive scaling, polarization discrimination, interpolation and extrapolation, digital filtering, windowing, spectrum analysis, GW detection, and graphics display. Concepts of system theory are applied to treat the ionosphere as a system. An adaptive ionogram scaling method was developed for automatically extracting ionogram echo traces from noisy raw sounding data. The method uses the well known Least Mean Square (LMS) algorithm to form a stochastic optimal estimate of the echo trace which is then used to control a moving window. The window tracks the echo trace, simultaneously eliminating the noise and interference. Experimental results show that the proposed method functions as designed. Case studies which extract GW from ionosonde measurements were carried out using the techniques described. Geophysically significant events were detected and the resultant processed results are illustrated graphically. This method was also developed for real time implementation in mind.

Berkey, Frank T.↗

Motion-Contrast Sensitivity: Visibility of Motion Gradients of Various Spatial Frequencies

The purpose of our experiments was to estimate basic sensitivity to motion gradients and to evaluate the evidence for second-order integration and differentiation of motion signals. We measured sensitivity to spatially sinusoidal contrast modulation between two oppositely moving bandpass-filtered noise images. The motion-contrast sensitivity function, defined as the inverse of threshold modulation amplitude as a function of modulation spatial frequency, was bandpass in shape with declines at both highest and lowest frequencies. The functions for three noise spatial frequencies had approximately the same shape when modulation frequency was expressed as a fraction of noise frequency. We compared the data with a model in which linear motion filters, whose outputs are squared or rectified, are followed by a second stage of excitatory or inhibitory pooling. The data are consistent with a model in which (1) all excitatory pooling occurs at the linear stage and (2) the second stage contains a large inhibitory pooling area, with a radius approximately eight times that of the linear receptive field.

Watson, Andrew B.↗

An Extended Kalman Filter to Assimilate Altimetric Data into a Non-Linear Model of the Tropical Pacific

A new implementation of the extended Kaman filter is developed for the purpose of assimilating altimetric observations into a primitive equation model of the tropical Pacific. Its specificity consists in defining the errors into a reduced basis that evolves in time with the model dynamic. Validation by twin experiments is conducted and the method is shown to be efficient in quasi real conditions. Data from the first 2 years of the Topex/Poseidon mission are assimilated into the Gent & Cane [1989] model. Assimilation results are evaluated against independent in situ data, namely TAO mooring observations.

Gourdeau, L.↗

A Model of Reduced Kinetics for Alkane Oxidation Using Constituents and Species for N-Heptane

The reduction of elementary or skeletal oxidation kinetics to a subgroup of tractable reactions for inclusion in turbulent combustion codes has been the subject of numerous studies. The skeletal mechanism is obtained from the elementary mechanism by removing from it reactions that are considered negligible for the intent of the specific study considered. As of now, there are many chemical reduction methodologies. A methodology for deriving a reduced kinetic mechanism for alkane oxidation is described and applied to n-heptane. The model is based on partitioning the species of the skeletal kinetic mechanism into lights, defined as those having a carbon number smaller than 3, and heavies, which are the complement of the species ensemble. For modeling purposes, the heavy species are mathematically decomposed into constituents, which are similar but not identical to groups in the group additivity theory. From analysis of the LLNL (Lawrence Livermore National Laboratory) skeletal mechanism in conjunction with CHEMKIN II, it is shown that a similarity variable can be formed such that the appropriately non-dimensionalized global constituent molar density exhibits a self-similar behavior over a very wide range of equivalence ratios, initial pressures and initial temperatures that is of interest for predicting n-heptane oxidation. Furthermore, the oxygen and water molar densities are shown to display a quasi-linear behavior with respect to the similarity variable. The light species ensemble is partitioned into quasi-steady and unsteady species. The reduced model is based on concepts consistent with those of Large Eddy Simulation (LES) in which functional forms are used to replace the small scales eliminated through filtering of the governing equations; in LES, these small scales are unimportant as far as the overwhelming part of dynamic energy is concerned. Here, the scales thought unimportant for recovering the thermodynamic energy are removed. The concept is tested by using tabular information from the LLNL skeletal mechanism in conjunction with CHEMKIN II utilized as surrogate ideal functions replacing the necessary functional forms. The test reveals that the similarity concept is indeed justified and that the combustion temperature is well predicted, but that the ignition time is over-predicted, a fact traced to neglecting a detailed description of the processes leading to the heavies chemical decomposition. To palliate this deficiency, functional modeling is incorporated into this conceptual reduction in addition to the modeling the evolution of the global constituent molar density, the enthalpy evolution of the heavies, the contribution to the reaction rate of the unsteady lights from other light species and from the heavies, the molar density evolution of oxygen and water, and the mole fractions of the quasisteady light species. The model is compact in that there are only nine species-related progress variables. Results are presented showing the performance of the model for predicting the temperature and species evolution. The model reproduces the ignition time over a wide range of equivalence ratios, initial pressure, and initial temperature.

Harstad, Kenneth G.↗

The Preflight Photometric Calibration of the Extreme-Ultraviolet Imaging Telescope EIT

This paper presents the preflight photometric calibration of the Extreme-ultraviolet Imaging Telescope (EIT) aboard the Solar and Heliospheric Observatory (SOHO). The EIT consists of a Ritchey-Chretien telescope with multilayer coatings applied to four quadrants of the primary and secondary mirrors, several filters and a backside-thinned CCD detector. The quadrants of the EIT optics were used to observe the Sun in 4 wavelength bands that peak near 171, 195, 284, and 304 . Before the launch of SOHO, the EIT mirror reflectivities, the filter transmissivities and the CCD quantum efficiency were measured and these values are described here. The instrumental throughput in terms of an effective area is presented for each of the various mirror quadrant and filter wheel combinations. The response to a coronal plasma as a function of temperature is also determined and the expected count rates are compared to the count rates observed in a coronal hole, the quiet Sun and an active region.

EIT (EXTREME-ULTRAVIOLET IMAGING TELESCOPE)↗

Issues Management Tool

IMTool performs the following: • The IMTool can manage issues, actions, and activities from one screen. • Provides enhanced and intuitive searching, sorting, and filtering capabilities. Grids allow for filtering any column instantly by any data heading. • IMTool uses drop-down menus to ensure date is entered accurately with consistency. • User-friendly system – highly utilized commitment tracking screen functions. Information is viewed on the left side of the screen and managed on the right.

Source record↗

Nonlocal Means Denoising of Self-Gated and k-Space Sorted 4-Dimensional Magnetic Resonance Imaging Using Block-Matching and 3-Dimensional Filtering: Implications for Pancreatic Tumor Registration and Segmentation

Purpose: To denoise self-gated k-space sorted 4-dimensional magnetic resonance imaging (SG-KS-4D-MRI) by applying a nonlocal means denoising filter, block-matching and 3-dimensional filtering (BM3D), to test its impact on the accuracy of 4D image deformable registration and automated tumor segmentation for pancreatic cancer patients. Methods and Materials: Nine patients with pancreatic cancer and abdominal SG-KS-4D-MRI were included in the study. Block-matching and 3D filtering was adapted to search in the axial slices/frames adjacent to the reference image patch in the spatial and temporal domains. The patches with high similarity to the reference patch were used to collectively denoise the 4D-MRI image. The pancreas tumor was manually contoured on the first end-of-exhalation phase for both the raw and the denoised 4D-MRI. B-spline deformable registration was applied to the subsequent phases for contour propagation. The consistency of tumor volume defined by the standard deviation of gross tumor volumes from 10 breathing phases (σ-GTV), tumor motion trajectories in 3 cardinal motion planes, 4D-MRI imaging noise, and image contrast-to-noise ratio were compared between the raw and denoised groups. Results: Block-matching and 3D filtering visually and quantitatively reduced image noise by 52% and improved image contrast-to-noise ratio by 56%, without compromising soft tissue edge definitions. Automatic tumor segmentation is statistically more consistent on the denoised 4D-MRI (σ-GTV = 0.6 cm{sup 3}) than on the raw 4D-MRI (σ-GTV = 0.8 cm{sup 3}). Tumor end-of-exhalation location is also more reproducible on the denoised 4D-MRI than on the raw 4D-MRI in all 3 cardinal motion planes. Conclusions: Block-matching and 3D filtering can significantly reduce random image noise while maintaining structural features in the SG-KS-4D-MRI datasets. In this study of pancreatic tumor segmentation, automatic segmentation of GTV in the registered image sets is shown to be more consistent on the denoised 4D-MRI than on the raw 4D-MRI.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Analysis of Vapors from Methylene Chloride Extracts of Nuclear Grade Hepa Filter Fiberglass Samples (Rev.1)

While several organic compounds were detected in the vapor samples used in the reenactment of the preparation of mounts from the extracts of nuclear grade high-efficiency particulate air filter fiberglass samples, the most significant species present in the samples were methylene chloride, phenol, phenol-d6, and 2-fluorophenol. These species were all known to be present in the extracts, but were expected to have evaporated during the preparation of the mounts, as the mounts appeared to be dry before any vapor was collected. These species were present at the following percentages of their respective occupational exposure limits: methylene chloride, 2%; phenol, 0.4%; and phenol-d6, 0.6%. However, there is no established limit for 2-fluorophenol. Several other compounds were detected at low levels for which, as in the case of 2-fluorophenol, there are no established permissible exposure limits. These compounds include 2-chlorophenol; N-nitroso-1-propanamine; 2-fluoro-1,1'-biphenyl; 1,2-dihydroacenaphthylene; 2,5-cyclohexadiene-1,4-dione,2,6-bis(1,1-dimethylethyl); trimethyl oxirane; n-propylpropanamine; 2-(Propylamino)ethanol; 4-methoxy-1-butene; 6-methyl-5-hepten-2-one; and 3,4-dimethylpyridine. Some of these were among those added as surrogates or spike standards as part of the Advanced Technologies and Laboratories International, Inc. preparation of the extract of the HEPA filter media and are indicated as such in the data tables in Section 2, Results; other compounds found were not previously known to be present. The main inorganic species detected (sulfate, sodium, and sulfur) are also consistent with species added in the preparation of the methylene chloride extract of the high-efficiency particulate air sample.

54 ENVIRONMENTAL SCIENCES↗

Iterative quantum-classical path integral with dynamically consistent state hopping

We investigate the convergence of iterative quantum-classical path integral calculations in sluggish environments strongly coupled to a quantum system. The number of classical trajectories, thus the computational cost, grows rapidly (exponentially, unless filtering techniques are employed) with the memory length included in the calculation. We argue that the choice of the (single) trajectory branch during the time preceding the memory interval can significantly affect the memory length required for convergence. At short times, the trajectory branch associated with the reactant state improves convergence by eliminating spurious memory. We also introduce an instantaneous population-based probabilistic scheme which introduces state-to-state hops in the retained pre-memory trajectory branch, and which is designed to choose primarily the trajectory branch associated with the reactant at early times, but to favor the product state more as the reaction progresses to completion. Test calculations show that the dynamically consistent state hopping scheme leads to accelerated convergence and a dramatic reduction of computational effort.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗