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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 145 records · Page 8

Direct Measurements of Dimethyl Sulfide Oxidation Chemistry: Uncovering the Primary Pathways from Gas Phase to Sulfate Aerosols

We report experimental measurements of dimethyl sulfide oxidation, focusing on a major chemical intermediate, hydroperoxymethyl thioformate (HPMTF). The (photo)chemistry and transport properties of HPMTF, which are critical to accurate modeling of tropospheric sulfur, are not known, partly because current analytical methods are not optimized for elusive chemical intermediates. We investigated dimethyl sulfide oxidation using a custom time-resolved photoionization mass spectrometer, interfaced with pulsed laser photolysis, continuous photolysis, and liquid droplet reactors. We detected and characterized HPMTF (along with other reaction intermediates), quantified its yield, and measured its formation rate coefficient. We also developed a clean, intense, online HPMTF source, suitable for further experimental investigations. Lastly, we measured the mass accommodation coefficient of HPMTF on water droplets – a critical quantity for modeling its atmospheric partitioning between the gas and condensed phases. The experimental platform we developed here enables the exploration of other critical elusive reaction intermediates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hyperstealth dark matter and long-lived particles

A new dark matter candidate is proposed that arises as the lightest baryon from a confining 𝑆⁢𝑈⁡(𝑁) gauge theory which equilibrates with the Standard Model only through electroweak interactions. Surprisingly, this candidate can be as light as a few GeV. The lower bound arises from the intersection of two competing requirements: (i) the equilibration sector of the model must be sufficiently heavy, at least several TeV, to avoid bounds from colliders, and (ii) the lightest dark meson (that may be the dark 𝜂′, 𝜎, or the lightest glueball) has suppressed interactions with the SM and must decay before big bang nucleosynthesis. The low-energy dark sector consists of one flavor that is electrically neutral and an almost electroweak singlet. The dark matter candidate is the lightest baryon consisting of 𝑁 of these light flavors leading to a highly suppressed elastic scattering rate with the Standard Model (SM). The equilibration sector consists of vectorlike dark quarks that transform under the electroweak group, ensuring that the dark sector can reach thermal equilibrium with the SM in the early Universe. The lightest dark meson lifetimes vary between 10 −3 ≲ 𝑐⁢𝜏 ≲ 10 7 m, providing an outstanding target for LHC production and experimental detection. We delineate the interplay between the lifetime of the light mesons, the suppressed direct detection cross section of the lightest baryon, and the scale of equilibration sector that can be probed at the LHC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Correlative STEM-APT characterization of radiation-induced segregation and precipitation of in-service BWR 304 stainless steel

In this study, radiation induced segregation and precipitation phenomena in an in-service boiling water reactor 304 stainless steel component were investigated using directly correlated 3D-atom probe tomography and scanning transmission electron microscopy. Significant quantitative differences in measured segregation at grain boundaries were found between the atom probe and energy dispersive spectroscopy measurements of the exact same locations. In particular, a much stronger Si segregation (~10 atomic% via atom probe versus ~4 atomic% via electron microscopy) and different Cr profile shapes were detected that are critical to models of radiation induced segregation and stress corrosion cracking behavior. These quantitative differences highlight the need for comparative microscopy and critical evaluation of limitations in each analytical method. Elemental segregation to dislocations and conjoined-clusters were also highlighted by atom probe; confirming and expanding upon what has been observed in test reactor neutron and accelerator-based ion irradiations.

36 MATERIALS SCIENCE↗

Spin dynamics of [1,2- 13 C 2 ]pyruvate hyperpolarization by parahydrogen in reversible exchange at micro Tesla fields

Hyperpolarization of 13 C-pyruvate via Signal Amplification By Reversible Exchange (SABRE) is an important recent discovery because of both the relative simplicity of hyperpolarization and the central biological relevance of pyruvate as a biomolecular probe for in vitro or in vivo studies. Here, we analyze the [1,2- 13 C 2 ]pyruvate-SABRE spin system and its field dependence theoretically and experimentally. We provide first-principles analysis of the governing 4-spin dihydride- 13 C 2 Hamiltonian and numerical spin dynamics simulations of the 7-spin dihydride- 13 C 2 –CH 3 system. Furthermore, the analytical and the numerical results are compared to matching systematic experiments. With these methods we unravel the observed spin state mixing of singlet states and triplet states at microTesla fields and we also analyze the dynamics during transfer from micro-Tesla field to high field for detection to understand the resulting spectra from the [1,2- 13 C 2 ]pyruvate-SABRE system.

13C pyruvate↗

Towards scaling community detection on distributed-memory heterogeneous systems

Distributed multi-GPU systems pose significant challenges and opportunities for efficient execution of parallel applications. Graph algorithms are generally characterized by irregular memory accesses, low computation to communication ratios, and load balancing problems that are especially hard to address on multi-GPU systems. Graph community detection is an important problem in the emerging domain of graph analytics with numerous applications. In this paper, we present our ongoing work on distributed-memory multi-GPU implementation for graph community detection. Our work parallelizes the widely used (albeit serial) Louvain method on distributed multi-GPU platforms. Supported by an extensive set of experiments on a multi-GPU enabled supercomputer (OLCF Summit) and a single compute node (Nvidia DGX-2®), we demonstrate competitive performance to existing distributed-memory CPU-based implementation, and up to 6.5 better results than Nvidia RAPIDS® CUGRAPH. To the best of our knowledge, this work represents the first effort for community detection on distributed multi-GPU systems. Our approach and related findings can be extended to numerous other iterative graph algorithms on multi-GPU systems.

97 MATHEMATICS AND COMPUTING↗

Emerging Per- and Polyfluoroalkyl Substances in Tap Water from the American Healthy Homes Survey II

Humans experience widespread exposure to anthropogenic per- and polyfluoroalkyl substances (PFAS) through various media, which can lead to a wide range of negative health impacts. Tap water is an important source of exposure in communities with any degree of contamination but routine or large-scale PFAS monitoring often depends on targeted analytical methods limited to measuring specific PFAS. We analyzed 680 tap water samples from the American Healthy Homes Survey II for PFAS using non-targeted analysis (NTA) to expand the range of detectable PFAS. Based on detection frequency and relative abundance, about half of the identified PFAS were found only by NTA. We identified (with varying degrees of confidence) 75 distinct PFAS, including 57 exclusively detected by NTA. The identified PFAS are members of seven structural subclasses differentiated by their head groups and degree of fluorination. Clustering analysis categorized the PFAS into four coabundance groups dominated by specific PFAS subclasses. One group uniquely identified by NTA contains zwitterionic PFAS and other PFAS transformation products which are likely associated with aqueous firefighting foam contaminants in a small number of spatially correlated samples. These results help further characterize the scope of exposure to emerging PFAS experienced by the U.S. population via tap water and augment nationwide targeted-PFAS monitoring programs.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

Persistent Acoustic Sensing for Monitoring A Reactor Facility - Oral Presentation

Measurements over the past few years, taking place within the Multi-Informatics for Nuclear Operations Scenarios (MINOS) project, show that infrasound and low-frequency acoustic monitoring can detect, and often quantify, activities that occur on-site at a large research reactor. Observable activities include: crane translation, lifting, and lowering; differentiation between loaded and unloaded crane operations; access door opening and closing; vehicle operations; and cooling tower fan operation. Advanced data analytic and spectral feature extraction methods can be used to interpret selected signatures to reach a deeper understanding of different reactor activities. These measurements are being conducted using a network of smartphones that continuously operate in conjunction with cloud-based architectures. A recent addition to the system is the development and deployment of a real-time, cloud-based analytic framework that supports near-real-time alarming which can facilitate tip-and-cue protocols. This paper will present recent research advances in this area including studies to explore the transferability of learned parameters from one smartphone to another, the detectability of events from multiple sensors at different locations simultaneously, and the feasibility of porting analytical tools directly to the smartphones to allow edge computing with optimized configurations.

42 ENGINEERING↗

Combination of cluster number counts and two-point correlations: validation on mock Dark Energy Survey

ABSTRACT We present a method of combining cluster abundances and large-scale two-point correlations, namely galaxy clustering, galaxy–cluster cross-correlations, cluster autocorrelations, and cluster lensing. This data vector yields comparable cosmological constraints to traditional analyses that rely on small-scale cluster lensing for mass calibration. We use cosmological survey simulations designed to resemble the Dark Energy Survey Year 1 (DES-Y1) data to validate the analytical covariance matrix and the parameter inferences. The posterior distribution from the analysis of simulations is statistically consistent with the absence of systematic biases detectable at the precision of the DES-Y1 experiment. We compare the χ2 values in simulations to their expectation and find no significant difference. The robustness of our results against a variety of systematic effects is verified using a simulated likelihood analysis of DES-Y1-like data vectors. This work presents the first-ever end-to-end validation of a cluster abundance cosmological analysis on galaxy catalogue level simulations.

79 ASTRONOMY AND ASTROPHYSICS↗

Phasor-Measurement-Unit-Based Data Analytics Using Digital Twin and PhasorAnalytics Software

A major objective of this project was to apply GE’s commercial machine learning and data analytics toolsets to large-scale, real-world, anonymized Phasor Measurement Unit (PMU) datasets in order to extract signatures, correlated and/or causal factors, and precursor patterns associated with significant power system phenomena. The project had a particular emphasis on extraction of insights relevant to asset health monitoring, real-time load modeling and cybersecurity monitoring. Additionally, the team was directed to undertake a comprehensive data quality analysis for the provided datasets and encouraged to estimate the ‘machine-learning readiness’ of the datasets by documenting any major obstacles to the application of commercial machine learning algorithms. To accomplish the aforementioned objectives, the project team’s work centered around the identification of key event signatures and application of the identified event signatures for event detection and event classification. The industry-validated, semi-supervised machine learning strategy employed for event signature identification involved several major tasks, including data-preprocessing, generation of an overabundance of features, normal data identification, normality modeling, and event signature identification through a methodical, quantitative ranking of features in order of relevance to each studied event type. Throughout the project, data quality issues and mitigation techniques were investigated. In this report, insights are provided regarding the readiness of the provided synchrophasor datasets for application of machine learning and data analytics. The methodologies employed for this technical strategy are summarized in this report. With regards to data preprocessing and feature generation, the provided Training and Test Datasets were ingested into GE’s big data environment. Subsequently, the team applied bad data cleansing and data imputation scripts, event detection scripts, and application programming interfaces (APIs) to the datasets for convenient data access. The project team completed development and validation of dozens of physics-based, statistics-based and transformation-based feature functions used for the extraction of over 60 synchrophasor features. Using a new parallel feature generation technology developed on this project, over 60 features have been rapidly generated for the full two years’ worth of Training and Test Dataset data associated with both the Eastern and Western interconnects. Even accommodating for temporal down-sampling inherent to the feature extraction procedure, this parallel feature generation activity resulted in a massive feature set with a storage requirement approximately equal to that of the raw training dataset itself. With regards to normal data identification and normality modeling, a normality model was built using the feature data extracted from the Training Dataset and iteratively refined subsequent to incremental adjustments and expansions of the Training Dataset feature data. With respect to event characterization and signature identification, an event signature identification pipeline was developed and used in conjunction with the normality model to identify over 15 event signatures for key event categories within the Training Dataset. The identified event signatures were used to characterize hundreds of key events in terms of relative severity, duration, and location of the event. An investigation was undertaken to identify correlated and causal factors involved in transformer events. A separate investigation into temporal trends in ring-down analysis results was undertaken to determine possible associations between system dynamics and various other factors such as loading, season or year. To validate the identified event signatures, additional work was undertaken to develop signature-based anomaly detection and classification tools suitable for convenient application to the synchrophasor datasets. The anomaly detection and classification tools, suitable for online application, were then applied to the entirety of the Eastern Interconnect Training and Test Datasets. Performance of the event detection and classification tools was evaluated upon receipt of the Test Dataset event logs (i.e., the labels for events contained in the Test Dataset), and promising results were obtained despite several challenges (documented herein) associated with application of supervised or semi-supervised machine learning methods to large-scale, anonymized datasets. Finally, the detection and classification tools were used to detect, classify, and characterize thousands of new events not included in the original event logs provided by the DOE within both the Training and Test Datasets.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Direct analysis of cotton swipes for plutonium isotope determination by microextraction-ICP-MS

This study demonstrates a method for determining the isotopic composition of low-level (sub-pg) plutonium (Pu) directly from a cotton swipe. Environmental sample (ES) swipes are routinely employed as a tool for monitoring activities in nuclear facilities. Traditional ES swipe analysis, as employed in nuclear safeguards, utilizes laborious ashing, digestion, and chemical separation procedures prior to mass spectrometric (MS) analysis. Here, an innovative sample introduction technique employing a microextraction probe to extract Pu directly from the swipe surface is described. The microextraction probe lowers onto the swipe surface, seals on a small area (8 mm 2 ), and delivers solvent (2% HNO 3 ) to extract actinide material that may be present. The extracted analyte is subsequently directed into a sector field inductively coupled plasma (ICP)-MS for isotope ratio determination. This microextraction-ICP-MS method successfully determined the isotopic composition ( 240 Pu/ 239 Pu and 242 Pu/ 239 Pu) of three Pu certified reference materials (CRM 136, 137, and 138) that were deposited (1 pg) onto ES swipes. The percent relative difference from the certified value, uncorrected for instrumental fractionation, was <2% for the 240 Pu/ 239 Pu ratio on all three CRMs and <10% for the 242 Pu/ 239 Pu ratio on CRM 136 and 138. Here, the percent relative standard deviation, an estimate of the sample-to-sample isotopic precision, was <4% for the 240 Pu/ 239 Pu and <15% for the 242 Pu/ 239 Pu. Method limits of detection were determined, based on measurements of an enriched 244 Pu material, to be ~7 fg. Additionally, a mixed uranium (U) and Pu deposition was made to determine the method's ability to simultaneously extract U and Pu and determine the isotopic composition of both analytes.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Cyber-Physical System Implementation for Manufacturing With Analytics in the Cloud Layer

Effective and efficient modern manufacturing operations require the acceptance and incorporation of the fourth industrial revolution, also known as Industry 4.0. Traditional shop floors are evolving their production into smart factories. To continue this trend, a specific architecture for the cyber-physical system is required, as well as a systematic approach to automate the application of algorithms and transform the acquired data into useful information. This work makes use of an approach that distinguishes three layers that are part of the existing Industry 4.0 paradigm: edge, fog, and cloud. Each of the layers performs computational operations, transforming the data produced in the smart factory into useful information. Trained or untrained methods for data analytics can be incorporated into the architecture. A case study is presented in which a real-time statistical control process algorithm based on control charts was implemented. The algorithm automatically detects changes in the material being processed in a computerized numerical control (CNC) machine. The algorithm implemented in the proposed architecture yielded short response times. The performance was effective since it automatically adapted to the machining of aluminum and then detected when the material was switched to steel. The data were backed up in a database that would allow traceability to the line of g-code that performed the machining.

97 MATHEMATICS AND COMPUTING↗

Jamming Detection for Low-Resolution SC-FDE Systems: A Machine Learning Approach

Jammers interfere with communication between base stations (BSs) and legitimate users, leading to degradation of wireless system performance. Our study focuses on jamming detection for wideband single-carrier frequency domain equalization (SC-FDE) systems with low-resolution analog-to digital converters (ADCs). In such systems, jamming detection is challenging because traditional analytical approaches cannot be directly applied due to the delay dispersion in wideband channels and the non-linearity induced by low-resolution ADCs. We propose a machine learning (ML)-based jamming detection method that directly uses the quantized receive signals. Significantly, our ML-based detector can be integrated into existing standard frameworks, such as unique word (UW)-based SC-FDE systems, as it uses existing pilots without requiring additional pilots for jamming detection. Through numerical simulations, we show that two or more bits provide satisfactory performance compared to unquantized scenarios. Additionally, we demonstrate that using more and well-separated pilot symbols improves performance.

99 GENERAL AND MISCELLANEOUS↗

Synthesis of CdZnTeSe single crystals for room temperature radiation detector fabrication: mitigation of hole trapping effects using a convolutional neural network

In this article, we report the growth of Cd 0.9 Zn 0.1 Te 0.97 Se 0.03 (CZTS) wide bandgap semiconductor single crystals for room temperature gamma-ray detection using a modified vertical Bridgman method. Charge transport properties measured in the radiation detectors, fabricated from the grown CZTS crystals, indicated signs of hole trapping. Hole traps inhibit high-resolution radiation detection especially for energetic gamma rays. Machine learning (ML) applications are gaining tremendous mpetus in improving device and sensor performance by compensating for limi tations arising from such intrinsic material properties. In this article, we describe a deep convolutional neural network (CNN) that has demonstrated remarkable efficiency in identifying the energy of a gamma photon detected by a CZTS detector. The CNN has been trained using simulated data that resemble output pulses from actual CZTS detectors when exposed to 662-keV gamma photons. The device properties required for the simulation have been derived from radiation detection measurements on a real Cd 0.9 Zn 0.1 Te 0.97 Se 0.03 detector fabricated in our laboratory. The CNN has been trained with detector pulses arising through photoelectric (PE) and Compton scattering (CS) separately. The percentage error in predicting the detected energies, within an extremely small duration of 0.28 ms, was found to be lower than 0.1% for gamma energies above 50 keV and for training datasets con taining PE and CS events separately. The CNN was also validated for a mixed PE and CS dataset to obtain a prediction error of 1%. Additionally, the effect of detector resolution on the efficiency of the CNN was also explored.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantitative 14 N NMR with Monte Carlo Uncertainty Analysis of Nitrate/Nitrite in Alkaline Nuclear Waste

While monitoring of nitrate and nitrite concentrations is important for managing corrosion in nuclear waste systems, existing analytical methods are hindered by turbidity, spectral interference, and delays from sample handling. Here, we demonstrate quantitative 14 N nuclear magnetic resonance (qNMR) spectroscopy as a direct, matrix-tolerant approach for nitrate and nitrite detection at natural abundance. Monte Carlo resampling was integrated into the workflow to quantify random error, establish precision–time tradeoffs, and separate noise-limited uncertainty from systematic bias arising from shimming, transmitter offset, or excitation pulse conditions. Quantification of nitrate and nitrite were validated in controlled alkaline matrix challenges and in 18-component Hanford-type simulants. These results establish 14 N qNMR as a practical, uncertainty-bounded tool for monitoring redox-active nitrogen species in chemically complex environments and provide a generalizable framework for quantitative analysis of quadrupolar nuclei.

Graham, Trent R. [Pacific Northwest National Labor↗

Event Definition for the Automated Detection of Nuclear Proliferation Activities

In FY2020, Savannah River National Laboratory (SRNL) in collaboration with the Discovery Analytics Center (DAC) at Virginia Polytechnic Institute and State University (VT) began developing a demonstration prototype system that uses multiple machine learning and data analytic methods on largescale open data sources to identify new, developing, or undeclared nuclear programs. One of the most challenging aspects of applying machine learning techniques to such a problem is the high likelihood of extremely sparse data from disparate sources. To overcome this challenge, the current work will use a strategic combination of supervised, semi-supervised, and unsupervised learning techniques to ingest and fuse data streams to make a forecast of nuclear activities in a targeted geospatial location. Identifying potential data sources and training supervised learning algorithms is dependent upon the development of a robust foundation of targeted event domains that fundamentally define the nuclear activities of interest. This report documents the definition of a hierarchical structure for both nuclear activity and event domains that will be used to guide the research team in development or use of existing semantic dictionaries that are instrumental to searching, parsing, and categorizing events for the forecasting system’s use.

97 MATHEMATICS AND COMPUTING↗

Hazard Detection Detector Cards

This report presents a comprehensive summary of five advanced anomaly detection tools developed and deployed by Oak Ridge National Laboratory in support of the VA’s Health Information Technology modernization. These detectors—Order Path Tracker, Trend Watcher, Pain Pointer, Performance Monitor, and Patient Record Flag Detector—leverage statistical and machine learning methods to monitor workflow disruptions, detect anomalies in care sequences and volumes, identify bottlenecks, and track system-level performance metrics across VistA and Millennium systems. All detectors have been integrated into the Health Data Analytics Platform (HDAP), with most having completed deployment and testing using live data from targeted stations in cardiology and oncology domains. This work enhances VA’s capacity for proactive system surveillance, promotes patient safety, and informs data-driven operational improvements across the EHR ecosystem.

97 MATHEMATICS AND COMPUTING↗

Heuristic based analytics for gas leak source identification

Heuristic-based techniques for gas leak source identification are provided. In one aspect, a method for identifying a location of a gas leak source includes: obtaining gas sensor data and wind data synchronously from a gas leak detection system having a network of interconnected motes comprising gas sensors and wind sensors, with the gas sensors arranged around possible gas leak sources in a given area of interest; identifying the location of the gas leak source using the gas sensor data and wind data; and determining a magnitude of gas leak from the gas leak source using the location of the gas leak source and a distance d between the location of the gas leak source and a select one of the gas sensors from which the gas sensor data was obtained. A gas leak detection system is also provided.

03 NATURAL GAS↗