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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 397 records · Page 22

Effect of Microscopic Damage Events on Static and Ballistic Impact Strength of Triaxial Braid Composites

In previous work, the ballistic impact resistance of triaxial braided carbon/epoxy composites made with large flat tows (12k and 24k) was examined by impacting 2 X2 X0.125" composite panels with gelatin projectiles. Several high strength, intermediate modulus carbon fibers were used in combination with both untoughened and toughened matrix materials. A wide range of penetration thresholds were measured for the various fiber/matrix combinations. However, there was no clear relationship between the penetration threshold and the properties of the constituents. During some of these experiments high speed cameras were used to view the failure process, and full-field strain measurements were made to determine the strain at the onset of failure. However, these experiments provided only limited insight into the microscopic failure processes responsible for the wide range of impact resistance observed. In order to investigate potential microscopic failure processes in more detail, quasi-static tests were performed in tension, compression, and shear. Full-field strain measurement techniques were used to identify local regions of high strain resulting from microscopic failures. Microscopic failure events near the specimen surface, such as splitting of fiber bundles in surface plies, were easily identified. Subsurface damage, such as fiber fracture or fiber bundle splitting, could be identified by its effect on in-plane surface strains. Subsurface delamination could be detected as an out-of-plane deflection at the surface. Using this data, failure criteria could be established at the fiber tow level for use in analysis. An analytical formulation was developed to allow the microscopic failure criteria to be used in place of macroscopic properties as input to simulations performed using the commercial explicit finite element code, LS-DYNA. The test methods developed to investigate microscopic failure will be presented along with methods for determining local failure criteria that can be used in analysis. Results of simulations performed using LS-DYNA will be presented to illustrate the capabilities and limitations for simulating failure during quasi-static deformation and during ballistic impact of large unit cell size triaxial braid composites.

Littell, Justin D.↗

Identifiability of Additive Actuator and Sensor Faults by State Augmentation

A class of fault detection and identification (FDI) methods for bias-type actuator and sensor faults is explored in detail from the point of view of fault identifiability. The methods use state augmentation along with banks of Kalman-Bucy filters for fault detection, fault pattern determination, and fault value estimation. A complete characterization of conditions for identifiability of bias-type actuator faults, sensor faults, and simultaneous actuator and sensor faults is presented. It is shown that FDI of simultaneous actuator and sensor faults is not possible using these methods when all sensors have unknown biases. The fault identifiability conditions are demonstrated via numerical examples. The analytical and numerical results indicate that caution must be exercised to ensure fault identifiability for different fault patterns when using such methods.

Joshi, Suresh↗

Analytical aspects of Randomdec analysis

Relationships between Randomdec analysis and conventional methods of analysis such as Fourier and modal analysis are shown. The Randomdec signature is described in terms of the Fourier amplitude coefficients. Using this result, the effect of filtering the time history is shown. For a linear, two mode model, signatures are compared to the free response of the system subjected to different initial conditions to show the relationship of displacement and acceleration signatures to the physical system. Detection and location of flaws is also discussed.

Reed, R. E.↗

Intramolecular 13 C isotope distributions of butane from natural gases

A single-step method allowing the measurement of 13 C intramolecular distribution of butane isomers (n- and i-butane) from natural gas samples was developed. The method builds up on the one that has been developed for propane, using on-line pyrolysis followed by isotope analysis of the pyrolytic fragments. The isotopic filiation between n-butane and its pyrolytic fragments was elucidated using samples spiked with 13 C on terminal positions. The isotopic filiation for i-butane could not be shown experimentally due to the lack of commercially available enriched i-butane. We thus used a recent model named Reaction Mechanism Generator (RMG) to assess the origin of the fragments arising from i-butane pyrolysis. Butanes from natural gas samples from the Carnarvon Basin (Australia) and the Arkoma Basin (USA) were analyzed. The results are consistent with a model for thermogenic natural gas generation and suggest that combined intramolecular isotope composition of propane and n-butane can be related to the gas maturity. In addition, the method allows the detection and shed light on the mechanism of n-butane and i-butane biodegradation in natural gas reservoirs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hybrid Analytics Solution to Improve Coal Power Plant Operations

This project focused on developing advanced methods for thermal performance monitoring of a coal-fueled power plant. The specific goal was to develop and demonstrate a new thermal performance monitoring approach using a hybrid model that integrates a physics-based heat balance model with a machine learning-based pattern recognition model. The hybrid model enables increased accuracy and scope of the thermal analysis and an improved ability to monitor and detect changes in plant operation. This new approach takes full advantage of the individual model capabilities and creates an important new set of capabilities not previously possible using the two types of models separately. Using the heat balance model, a rich set of derived parameters (virtual sensors) are calculated from the measured plant operating data at each time point. The combined measured and derived data values are used by machine learning algorithms to create pattern recognition models over the range of normal unit operation. To create the monitoring models, historical data from normal operation of the plant is first processed by the heat balance model to compute the derived parameter data. The result is a greatly expanded set of normal operating data that can be used as input to create the pattern recognition model. Once the models are calibrated for normal operation, the hybrid model is suitable for use in continuous online monitoring. During online monitoring, new plant operating data is processed first by the heat balance model and then by the pattern recognition model. Results from the pattern recognition model quantify the deviation of each measured or derived parameter from its expected value in normal operation. The hybrid models can detect abnormal changes in plant operating data with very high accuracy and sensitivity. When abnormal behavior is detected, alerts are generated automatically for evaluation by the plant monitoring staff. The new hybrid solution product was developed and verified in the performance of the project. The hybrid solution was tested first in a simulation environment that mimicked the plant data systems and infrastructure used by U.S. power generating plants and utilities. The hybrid solution was then deployed for real-time, online monitoring of an operating coal-fueled power plant at a field test site. Field testing demonstrated that all hybrid solution development objectives were accomplished. The project work was based on combining the capabilities of two existing software products to create the new hybrid solution product. One of these was the existing MapEx® heat balance product and the other was the existing SureSense® advanced pattern recognition product. Each of these separate products was assessed to be at a Technology Readiness Level (TRL) of 9 at the start of the effort. The hybrid solution product was assessed to be at a TRL of 2 at the start of the project based on early feasibility work by the project team. At completion of the field testing performed in the project, the hybrid solution product was assessed to be at a TRL of 7. The project team expects that the hybrid solution product will be deployed commercially and will achieve a TRL of 9 within one year after completion of the project.

01 COAL, LIGNITE, AND PEAT↗

An out-of-distribution-aware autoencoder model for reduced chemical kinetics

While detailed chemical kinetic models have been successful in representing rates of chemical reactions in continuum scale computational fluid dynamics (CFD) simulations, applying the models in simulations for engineering device conditions is computationally prohibitive. To reduce the cost, data-driven methods, e.g., autoencoders, have been used to construct reduced chemical kinetic models for CFD simulations. Despite their success, data-driven methods rely heavily on training data sets and can be unreliable when used in out-of-distribution (OOD) regions (i.e., when extrapolating outside of the training set). In this paper, we present an enhanced autoencoder model for combustion chemical kinetics with uncertainty quantification to enable the detection of model usage in OOD regions, and thereby creating an OOD-aware autoencoder model that contributes to more robust CFD simulations of reacting flows.Here, we first demonstrate the effectiveness of the method in OOD detection in two well-known datasets, MNIST and Fashion-MNIST, in comparison with the deep ensemble method, and then present the OOD-aware autoencoder for reduced chemistry model in syngas combustion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mass spectrometry-based proteomics for analysis of hydrophilic phosphopeptides

Protein phosphorylation is a critical post-translational modification (PTM), with cell signaling networks being tightly regulated by protein phosphorylation. Despite recent technological advances in reversed-phase liquid chromatography (RPLC)-mass spectrometry (MS)-based proteomics, comprehensive phosphoproteomic coverage in complex biological systems remains challenging, especially for hydrophilic phosphopeptides that often have multiple phosphorylation sites. Herein we describe an MS-based phosphoproteomics protocol for effective quantitative analysis of hydrophilic phosphopeptides. This protocol was built upon a simple tandem mass tag (TMT)-labeling method for significantly increasing peptide hydrophobicity, thus effectively enhancing RPLC-MS analysis of hydrophilic peptides. Through phosphoproteomic analyses of MCF7 cells, this method was demonstrated to greatly increase the number of identified hydrophilic phosphopeptides and improve MS signal detection. With the TMT labeling method, we were able to identify a previously unreported phosphopeptide from the G protein-coupled receptor (GPCR) CXCR3, QPpSSSR, which is thought to be important in regulating receptor signaling. This protocol is easy to adopt and implement, and thus should have broad utility for effective RPLC-MS analysis of the hydrophilic phosphoproteome as well as other highly hydrophilic analytes.

Hydrophilic phosphopeptide, Phosphoproteomics, TMT↗

Investigation of Molecular Diffusion at Block Copolymer Thin Films Using Maximum Entropy Method-Based Fluorescence Correlation Spectroscopy and Single Molecule Tracking

Fluorescence correlation spectroscopy (FCS) has been widely used to investigate molecular diffusion behavior in various samples. The use of the maximum entropy method (MEM) for FCS data analysis provides a unique means to determine multiple distinct diffusion coefficients without a priori assumption of their number. Comparison of the MEM-based FCS method (MEM-FCS) with another method will reveal its utility and advantage as an analytical tool to investigate diffusion dynamics. Herein, we measured diffusion of fluorescent probes doped into nanostructured thin films using MEM-FCS, and validated the results with single molecule tracking (SMT) data. The efficacy of the MEM code employed was first demonstrated by analyzing simulated FCS data for systems incorporating one and two diffusion modes with broadly distributed diffusion coefficients. The MEM analysis accurately afforded the number of distinct diffusion modes and their mean diffusion coefficients. These results contrasted with those obtained by fitting the simulated data to conventional two-component and anomalous diffusion models, which yielded inaccurate estimates of the diffusion coefficients. Subsequently, the MEM analysis was applied to FCS data acquired from hydrophilic dye molecules incorporated into microphase-separated polystyrene-block-poly(ethylene oxide) (PS-b-PEO) thin films characterized under a water-saturated nitrogen atmosphere. The MEM analysis revealed distinct fast and slow diffusion components attributable to molecules diffusing on the film surface and inside the film, respectively. SMT studies of the same materials yielded trajectories for mobile molecules that appear to follow the curved PEO microdomains. Diffusion coefficients obtained from the SMT data were consistent with those obtained for the slow diffusion component detected by MEM-FCS. Furthermore, these results highlight the utility of MEM-FCS and SMT for gaining complementary information on molecular diffusion processes in heterogeneous material systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Diffractive Imaging of Conical Intersections Amplified by Resonant Infrared Fields

The fate of virtually all photochemical reactions is determined by conical intersections. These are energetically degenerate regions of molecular potential energy surfaces that strongly couple electronic states, thereby enabling fast relaxation channels. Their direct spectroscopic detection relies on weak features that are often buried beneath stronger, less interesting contributions. For azobenzene photoisomerization, a textbook photochemical reaction, we demonstrate how a resonant infrared field can be employed during the conical intersection passage to significantly enhance its coherence signatures in time-resolved Xray diffraction while leaving the product yield intact. Furthermore, this transition-state amplification holds promise to bring signals of conical intersections above the detection threshold.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Rapid Sensing to Facilitate Purification of Rare Earth Element-Containing Process Streams Produced Through Membrane-Assisted Solvent Extraction

The development of an economically competitive domestic supply of rare earth elements and yttrium (REY) is necessary for our nation’s economic growth and national security. The achievement of a secure domestic supply of REY requires not only the development of effective processes for recovery of REY from naturally occurring materials and/or recycled products, but also the development of downstream processes for the ultimate production of high-REY content solids. An impediment to the development of such processes is the scarcity of analytical methods that provide rapid determination of the process stream compositions. In this work, a membrane-based extraction process was used to selectively recover REYs from a dilute solution in the presence of much higher concentrations of Ca and Al. In tandem, the use of a portable spectrometer equipped with an immobilized zinc adeninate benzene tricarboxylate metal-organic framework sensing material makes possible the rapid detection of the presence of ppm concentrations of Tb and Eu in both weakly acidic and strongly acidic process streams within minutes. A solvent extraction processing time of 15-60 min maximized REY selectivity over gangue ions while achieving up to 80% REY and minimal gangue ion recovery. Taken together, these experiments highlight not only an innovative method for REY purification but also the importance of inexpensive, portable characterization methods for near real-time analysis of REY content.

Membrane-assisted solvent extraction↗

Determination of a Limited Scope Network's Lightning Detection Efficiency

This paper outlines a modeling technique to map lightning detection efficiency variations over a region surveyed by a sparse array of ground based detectors. A reliable flash peak current distribution (PCD) for the region serves as the technique's base. This distribution is recast as an event probability distribution function. The technique then uses the PCD together with information regarding: site signal detection thresholds, type of solution algorithm used, and range attenuation; to formulate the probability that a flash at a specified location will yield a solution. Applying this technique to the full region produces detection efficiency contour maps specific to the parameters employed. These contours facilitate a comparative analysis of each parameter's effect on the network's detection efficiency. In an alternate application, this modeling technique gives an estimate of the number, strength, and distribution of events going undetected. This approach leads to a variety of event density contour maps. This application is also illustrated. The technique's base PCD can be empirical or analytical. A process for formulating an empirical PCD specific to the region and network being studied is presented. A new method for producing an analytical representation of the empirical PCD is also introduced.

Rompala, John T.↗

A Fast, Accurate and Sensitive GC-FID Method for the Analyses of Glycols in Water and Urine

Glycols, specifically ethylene glycol and 1,2-propanediol, are some of the major organic compounds found in the humidity condensate samples collected on the International Space Station. The current analytical method for glycols is a GC/MS method with direct sample injection. This method is simple and fast, but it is not very sensitive. Reporting limits for ethylene glycol and 1,2-propanediol are only 1 ppm. A much more sensitive GC/FID method was developed, in which glycols were derivatized with benzoyl chloride for 10 minutes before being extracted with hexane. Using 1,3-propanediol as an internal standard, the detection limits for the GC/FID method was determined to be 50 ppb and the analysis only takes 7 minutes. Data from the GC/MS and the new GC/FID methods shows excellent agreement with each other. Factors affecting the sensitivity, including sample volume, NaOH concentration and volume, volume of benzoyl chloride, reaction time and temperature, were investigated. Interferences during derivatization and possible method to reduce interferences were also investigated.

Kuo, C. Mike↗

The good, the bad, and the ugly: Data-driven load profile discord identification in a large building portfolio

Reducing the overall energy consumption and associated greenhouse gas emissions in the building sector is essential for meeting our future sustainability goals. Recently, smart energy metering facilities have been deployed to enable monitoring of energy consumption data with hourly or subhourly temporal resolution. This unprecedented data collection has created various opportunities for advanced data analytics involving load profiles (e.g., building energy benchmarking programs, building-to-grid integration, and calibration of urban-scale energy models). These applications often need preprocessing steps to detect daily load profile discords, such as: 1) outliers due to system malfunctions (the bad) and 2) irregular energy consumption patterns, such as those resulting from holidays (the ugly) compared to normal consumption patterns (the good). However, current preprocessing methods predominantly focus on filtering using statistical threshold values, which fail to capture the contextual discords of daily profiles. In addition, discord detection algorithms in building research are often aimed at finding individual building-level discords, which are not suitable at a large scale. Thus, here, we develop a method for automated load profile discord identification (ALDI) in a large portfolio of buildings (more than 100 buildings). Specifically, ALDI 1) uses the matrix profile (MP) method to quantify the similarities of daily subsequences in time series meter data, 2) compares daily MP values with typical-day MP distributions using the Kolmogorov-Smirnov test, and 3) identifies daily load profile discords in a large building portfolio. We evaluate ALDI using the metering data of both an academic campus and a residential neighborhood. Our results demonstrate that ALDI efficiently discovers measurement errors by system malfunctions and low energy consumption days in the academic campus portfolio, and it detects unique load shape patterns likely driven by occupant behavior and extreme weather conditions in the residential neighborhood.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Results for the April 2024 Semiannual Salt Waste Processing Facility Decontaminated Salt Solution Sample

In this Technical Report, the chemical and radionuclide contaminant results from the April 2024 Semiannual sample of the Salt Waste Processing Facility (SWPF) Decontaminated Salt Solution (DSS) salt solution are presented in tabulated form. The information from this characterization will be used by Savannah River Mission Completion (SRMC) for the transfer of aqueous waste from SWPF to the Saltstone Production Facility (SPF) where the waste will be treated and disposed in the Saltstone Disposal Facility. This Technical Report compares results, where applicable, to SPF Waste Acceptance Criteria (WAC) LIMITS and TARGETS that were established at the time the SWPF DSS sample was obtained.1 The April 2024 Semiannual sample of the SWPF DSS is a composite from the six months of SWPF processing during the First Quarter Fiscal Year 2024 (1QFY2024) and the Second Quarter Fiscal Year 2024 (2QFY2024). The following facts pertaining to the WAC are drawn from the analytical results provided in this report. WAC TARGETS and LIMITS were met for all analyzed chemical and radioactive contaminants for which the detection limits are below the WAC TARGETS and LIMITS. Nitrosamines were not detected in the SWPF DSS salt solution sample above the instrument detection limits of <1 mg/L. The minimum detection limit (<3.33E-01 pCi/mL) is reported for 94 Nb as determined from the minimum detectable activity associated with the radiochemical method used for this radionuclide. The reported detection limit is above the requested SRMC target minimum detection limit concentration. However, the minimum detection limit reported for the April 2024 semiannual SWPF DSS sample for 94 Nb is lower than the estimated detection limit of 4.38E-01 pCi/mL initially established by SRNL in 2009. Thus, per guidance from SRMC, 2 SRNL continues to achieve as low as practical detection limits for this radionuclide.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Feed-forward spectral calibration methodology for line-scanned tunable laser absorption spectroscopy

A generalized feed-forward method for accurate tunable laser absorption spectroscopy includes generating a laser beam. The generated laser beam is directed down a reference path and a test/sample path. One or more parameters are extracted from the reference path. The one or more parameters, extracted from the reference path, are used as feed-forward, to adjust spectral analysis of the test/sample path to detect a composition and/or concentration of an analyte gas within the test/sample path. The extraction of the one or more parameters from the reference path and the spectral analysis of the test/sample path are performed substantially concurrently.

Green, William↗

Personalized Tucker Decomposition: Modeling Commonality and Peculiarity on Tensor Data

In this paper, we propose a personalized Tucker decomposition (perTucker) to address the limitations of traditional tensor decomposition methods in capturing heterogeneity across different datasets. perTucker decomposes tensor data into shared global components and personalized local components. We introduce an order orthogonality assumption and develop a proximal gradient regularized block coordinate descent algorithm guaranteed to converge to a stationary point. The unique and common representations learned by perTucker reveal intrinsic statistical patterns in data and provide valuable information for a wide range of downstream analytics, including anomaly detection, source classification, and clustering. We demonstrate perTucker’s effectiveness through a simulation study and two case studies on solar flare detection and tonnage signal classification.

14 SOLAR ENERGY↗

Demonstration of active neutron interrogation of special nuclear materials using a high-intensity short-pulse-laser-driven neutron source

Detecting shielded special nuclear material, such as nuclear explosives, is a difficult challenge pursued by non-proliferation, anti-terrorism, and nuclear security programs worldwide. Interrogation with intense fast-neutron pulses is a promising method to characterize concealed nuclear material rapidly but is limited by suitable source availability and proven instrumentation. In this study we have pioneered a demonstration of such an interrogation method using a high-intensity, short-pulse, laser-driven neutron source that offers potential benefits compared to conventional neutron sources. The measurement results reported here represent the first experimental demonstration of this interrogation approach on enriched uranium items and demonstrate the feasibility of a precise measurement using realistic nuclear materials, representative of field scenarios, even with just a single laser-driven neutron pulse. Bright pulsed sources can overcome the nuisance background of items with strong internal neutron sources, improving analytical power, while single-shot assay is attractive in high-throughput situations where time is at a premium. The science and technology of this type of neutron production is developing rapidly, and we anticipate that practical mobile interrogation systems will become available based on the detection concepts demonstrated here to meet the growing measurement needs.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Using Eye-Tracking to Quantify Reverse Engineering Expertise

Software reverse engineering (RE) requires analysts to closely read and make decisions about code. Little is known about what makes an analyst successful, making it difficult to train new analysts or design tools to augment existing ones. The goal of this project was to quantify the eye movement behaviors supporting RE and code comprehension more generally. We applied eye-tracking methods from the language comprehension literature to understand where analysts direct their attention over time when completing tasks (e.g., function identification, bug detection). Across three studies, we manipulated aspects of code hypothesized to impact comprehension (e.g., variable name meaningfulness, code complexity) and presentation methods (e.g., line-by-line, free viewing, gaze-contingent moving window) to understand effects on accuracy and gaze patterns. Results showed clear benefits of meaningful variable names, and effects of expertise on global and line-specific viewing patterns. Findings could inspire empirically-supported tool or analytic adaptations that help to reduce analyst workload.

97 MATHEMATICS AND COMPUTING↗