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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Quantitative spatiotemporal mapping of thermal runaway propagation rates in lithium-ion cells using cross-correlated Gabor filtering

Abuse testing of lithium-ion batteries is widely performed in order to develop new safety standards and strategies. However, testing methodologies are not standardised across the research community, especially with failure mechanisms being inherently difficult to reproduce. High-speed X-ray radiography is proven to be a valuable tool to capture events occurring during cell failure, but the observations made remain largely qualitative. We have therefore developed a robust image processing toolbox that can quantify, for the first time, the rate of propagation of battery failure mechanisms revealed by high-speed X-ray radiography. Using Gabor filter, the toolbox selectively tracks the electrode structure at the onset of failure. This facilitated the estimation of the displacement of electrodes undergoing abuse via nail penetration, and also the tracking of objects, such as the nail, as it propagates through a cell. Further, by cross-correlating the Gabor signals, we have produced practical, illustrative spatiotemporal maps of the failure events. From these, we can quantify the propagation rates of electrode displacement prior to the onset of thermal runaway. The highest recorded acceleration (≈514 mm s -2 ) was when a nail penetrated a cell radially (perpendicular to the electrodes) as opposed to axially (parallel to the electrodes). The initiation of thermal runaway was also resolved in combination with electrode displacement, which occurred at a lower acceleration (≈108 mm s -2 ). Our assistive toolbox can also be used to study other types of failure mechanisms, extracting otherwise unattainable kinetic data. Ultimately, this tool can be used to not only validate existing theoretical mechanical models, but also standardise battery failure testing procedures.

25 ENERGY STORAGE↗
DOE OSTI2020

Temperature-dependent kinetic pathways featuring distinctive thermal-activation mechanisms in structural evolution of ice VII

Significance The kinetics of the structural evolution from crystalline ice (ice VII or ice VIII) toward thermodynamically stable ice I at ambient pressure have been characterized using time-resolved in situ X-ray diffraction. The time resolution captures events that were not observed previously and reveals a complex kinetic pathway with three distinctive transitions, i.e., amorphization, amorphous–amorphous, and crystallization of amorphous ice into ice I. The first two transitions exhibit different thermally activated mechanism above and below 110 K. Molecular-dynamics simulations show the transition involves a large change in density and substantial displacements of water at the nanoscale. This study presents a perspective on the metastability and complexity of the energy landscape in temperature/time-dependent structural evolution in amorphous ices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Plastome evolution in annual Brachypodium species reveals widespread heteroplasmy and chloroplast capture, lineage-specific codon usage bias, and low positive selection

Comparative genomics and plastome phylogenomics have advanced significantly in recent years, highlighting the diversity, possible admixture, and non-neutral evolution of the predominantly considered non-recombinant chloroplast genomes in angiosperms. The grass genus Brachypodium serves as a powerful model for studying evolutionary processes in monocots. We analyzed 287 plastomes across the native circum-Mediterranean range of the three annual Brachypodium species ( B. distachyon, B. stacei, B. hybridum ), focusing on their structural variation, selection patterns and phylogenomic relationships. Our analyses confirmed the differentiation of the S and D plastomes, inherited respectively from the diploid progenitor species B. stacei and B. distachyon . We identified novel structural rearrangements and indels, and unique repeat motifs, along with widespread heteroplasmy, particularly in ancestral B. hybridum -D plastotypes. SNP diversity varied among plastotypes, reflecting population dynamics and evolutionary histories, with B. hybridum -D plastotypes showing the highest normalized diversity and B. hybridum -S the lowest. Positive selection was detected in 29 plastid genes by Tajima’s neutrality test, and in nine genes by site and branch-site evolutionary models, including matK, ndhF, rbcL, and rpoC2. Phylogenomic analyses revealed well-supported clades corresponding to the S and D plastome lineages, with frequent chloroplast capture events and long-distance dispersals shaping their evolutionary trajectories.

allopolyploidy↗
DOE OSTI2022

Quantifying Subsurface Biogeochemical Variability in a High Altitude Watershed During Winter Isolation

Shallow subsurface microbial and geochemical processes in watersheds are dynamic and responsive to seasonal and long-term environmental change. At high elevation or latitude, such changes may occur during winter months when normal sampling is impossible, impractical, unsafe, or may actually alter the processes being studied. Yet accurate modeling of biogeochemical parameters in these environments requires sampling that can capture events and persistent cold climate trends. Gaps in current models exist where data have not been collected during extended snow- or ice-covered periods. The goals of our exploratory study were to examine the biogeochemical processes occurring in a well-studied high altitude watershed during winter when the system is largely inaccessible. We tested the hypothesis that during snow cover in the East River (ER) watershed, episodic excursions of microbial community structure and biogeochemical processes and concentrations fluctuated from values extrapolated from pre- and post-snow time periods. Through our research we identified previously unresolved subsurface-surface transport phenomena and a heretofore under-appreciated methane cycle occurring during wintertime months, thus providing valuable insight into watershed processes. Our research showed that autonomous sampling techniques, first used in marine systems, is extremely versatile and can be adapted for use in harsh continental settings to examine temporal changes in freshwater chemistry and microbial community assemblage. Further, we found that by sampling during periods when systems are hard to access, will lend insight and better accountability for global budgets for methane, an important greenhouse gas. By strengthening our knowledge of wintertime biogeochemical relationships in high altitude watersheds our research leads to more complete descriptions of cryptic processes and ultimately will inform and improve the reactive transport models that simulate processes in these systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Clustering Acoustic Background Noise in the Stratosphere Using Machine Learning

Infrasound, characterized by low-frequency sound inaudible to humans (<20 Hz), emanates from natural and anthropogenic sources. Its efficacy for monitoring phenomena necessitates robust sensing networks. Traditional ground-based infrasound sensors have limitations due to atmospheric dynamics and noise interference. Balloon-bore sensors have emerged as an alternative, offering reduced noise and improved capabilities. This study bridges clustering algorithms with balloon borne infrasound data, a domain yet to be explored. Employing K-Means, DBSCAN, and GMM algorithms on normalized and reshaped data and only normalized data from a New Zealand-based NASA balloon flight, insights into background noise at stratospheric altitudes were revealed. Despite challenges arising from distinguishing signals amid unique background noise, this research provides vital reference material for noise analysis and calibration. Beyond infrasound event capture, the dataset enriches comprehension of background noise characteristics in the southern hemisphere.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Neutron Cross Section Measurement In The Protodune-SP Experiment

Understanding the detector response to neutrons will be critical for performing neutrino oscillation analyses in the next-generation Deep Underground Neutrino Experiment (DUNE). The DUNE physics program is centered around measuring the neutrino flavor composition as a function of their energy both at the near and the far detector. Neutrinos in the DUNE beam will have energies ranging between 100~MeV and 10~GeV, which is significant, because individual neutrino energies will not be known beforehand and will have to be reconstructed. Neutrino interactions in DUNE will produce leptons and hadrons -- including protons, pions, and neutrons. Neutrons can transport energy away from their origin and sometimes go undetected. In addition to the primary neutrons produced by the neutrino, subsequent interactions of the charged hadrons can result in secondary neutrons. Neutrons are a source of missing energy and will bias the neutrino energy measurement. Currently, there is also a 20\% energy scale uncertainty and a 40\% uncertainty on the energy resolution for neutrons in DUNE, which must be addressed. ProtoDUNE Single-Phase (ProtoDUNE-SP) is a 770-ton prototype for the DUNE far detector and was designed to both validate the technology that will be employed in DUNE and to measure cross sections for the charged hadrons (pions, protons, and kaons) at the relevant energies for DUNE. The ProtoDUNE-SP experiment, therefore, is in a unique position to characterize the secondary neutron component for DUNE. This is achieved by searching for candidate neutron interactions in ProtoDUNE-SP events and using these to facilitate a measurement of the neutron inelastic cross section as well as an estimate of the neutron energy and number. The cross section measurement presented here is based on neutrons produced in 1~GeV, $\pi^+$ events captured in 2018 by ProtoDUNE-SP in accordance with the production and cross section models in the GEANT4 simulation toolkit, version 4.1 0.6p1. T he best-fit neutron inelastic cross section, in the kinetic energy range of 114 to 314~MeV, is $1.24_{-0.08}^{+0.10}$~(stat.~$\oplus$~syst.)~barns.

Rivera, David Orlando↗
DOE OSTI2021

Observational Capabilities to Capture Water Cycle Event Dynamics and Impacts in the Age of AI

This whitepaper is responsive to focal area (1) Data acquisition and assimilation enabled by machine learning (ML), Artificial Intelligence (AI), and advanced methods. Here we describe how Earth observations specific to water cycle disturbances can be collected in parallel with and integrated into future model development, and make use of the latest technologies other than AI/ ML such as 5G/satellite, edge computing, big data technologies, and cloud computing.

58 GEOSCIENCES↗
DOE OSTI2024

Capturing Infrastructure Interdependencies for Power Outages Prediction During Extreme Events

As extreme weather events such as hurricanes, severe thunderstorms, and floods grow in frequency and intensity, the disruption of power grid systems poses significant challenges, including widespread electrical outages, economic losses, and threats to public safety. This paper presents a forward-looking approach that leverages geographical graph-based machine learning models to predict county-level maximum power outages during such events. By capturing the intricate interdependencies within power system networks, our approach aims to provide precise and actionable predictions that can optimize emergency response efforts and enhance grid resilience. Through the integration of real-world data, including hurricane advisories and power outage records, we have trained and benchmarked multiple machine learning models, demonstrating the feasibility and potential of this method. While our initial results are promising, this paper also charts a course for advancing these models, addressing the remaining challenges, and ultimately transforming how we anticipate and respond to the impacts of extreme weather on power systems.

Lee, Sangkeun (Matt) [ORNL] (ORCID:000000021317511↗
DOE OSTI2024

First Sagittarius A* Event Horizon Telescope Results. VIII. Physical Interpretation of the Polarized Ring

Abstract In a companion paper, we present the first spatially resolved polarized image of Sagittarius A* on event horizon scales, captured using the Event Horizon Telescope, a global very long baseline interferometric array operating at a wavelength of 1.3 mm. Here we interpret this image using both simple analytic models and numerical general relativistic magnetohydrodynamic (GRMHD) simulations. The large spatially resolved linear polarization fraction (24%–28%, peaking at ∼40%) is the most stringent constraint on parameter space, disfavoring models that are too Faraday depolarized. Similar to our studies of M87*, polarimetric constraints reinforce a preference for GRMHD models with dynamically important magnetic fields. Although the spiral morphology of the polarization pattern is known to constrain the spin and inclination angle, the time-variable rotation measure (RM) of Sgr A* (equivalent to ≈46° ± 12° rotation at 228 GHz) limits its present utility as a constraint. If we attribute the RM to internal Faraday rotation, then the motion of accreting material is inferred to be counterclockwise, contrary to inferences based on historical polarized flares, and no model satisfies all polarimetric and total intensity constraints. On the other hand, if we attribute the mean RM to an external Faraday screen, then the motion of accreting material is inferred to be clockwise, and one model passes all applied total intensity and polarimetric constraints: a model with strong magnetic fields, a spin parameter of 0.94, and an inclination of 150°. We discuss how future 345 GHz and dynamical imaging will mitigate our present uncertainties and provide additional constraints on the black hole and its accretion flow.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Capturing the sequence of events during the water oxidation reaction in photosynthesis using XFELs

Ever since the discovery that Mn was required for oxygen evolution in plants by Pirson in 1937 and the period-four oscillation in flash-induced oxygen evolution by Joliot and Kok in the 1970s, understanding of this process has advanced enormously using state-of-the-art methods. The most recent in this series of innovative techniques was the introduction of X-ray free-electron lasers (XFELs) a decade ago, which led to another quantum leap in the understanding in this field, by enabling operando X-ray structural and X-ray spectroscopy studies at room temperature. This review summarizes the current understanding of the structure of Photosystem II (PS II) and its catalytic centre, the Mn 4 CaO 5 complex, in the intermediate S i ( i = 0-4)-states of the Kok cycle, obtained using XFELs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Weakly supervised anomaly detection with event-level variables

We introduce a new topology for weakly supervised anomaly detection searches, diobject plus X. In this topology, one looks for a resonance decaying to two standard model particles produced in association with other anomalous event activity (X). This additional activity is used for classification. We demonstrate how anomaly detection techniques which have been developed for dijet searches focusing on jet substructure anomalies can be applied to event-level anomaly detection in this topology. To robustly capture event-level features of multiparticle kinematics, we employ new physically motivated variables derived from the geometric structure of a collision’s phase space manifold. As a proof of concept, we explore the application of this approach to several benchmark signals in the di-𝜏 and di-𝜇 plus X final states. We demonstrate that our anomaly detection approach can reach discovery-level significances for signals that would be missed in a conventional bump-hunt approach.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

An improved daily standardized precipitation index dataset for mainland China from 1961 to 2018

The standardized precipitation index (SPI), one of the most commonly used drought indicators, is widely used in the research areas of drought analysis and drought prediction in different fields such as meteorology, agriculture, and hydrology. However, its main disadvantage is the relatively coarse time resolution of one month. To improve the time resolution of SPI to identify flash droughts, we have refined the traditional SPI calculation method and developed a new multi-scale daily SPI dataset based on data from 484 meteorological stations in mainland China from 1961 to 2018. SPI data from three different sites (located in Henan, Yunnan, and Fujian Provinces) at the three-month timescale were analyzed by comparing with historically recorded drought events. We found that the new multi-scale daily SPI can effectively capture drought events in different periods and locations and identify the specific start and end times of drought events. In short, our SPI dataset appears reasonable and capable of facilitating drought research in different fields.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Extreme wind shear events in US offshore wind energy areas and the role of induced stratification

As the offshore wind industry emerges on the US East Coast, a comprehensive understanding of the wind resource – particularly extreme events – is vital to the industry's success. Such understanding has been hindered by a lack of publicly available wind profile observations in offshore wind energy areas. However, the New York State Energy Research and Development Authority recently funded the deployment of two floating lidars within two current lease areas off the coast of New Jersey. These floating lidars provide publicly available wind speed data from 20 to 200 m height with a 20 m vertical resolution. In this study, we leverage a year of these lidar data to quantify and characterize the frequent occurrence of high-wind-shear and low-level-jet events, both of which will have a considerable impact on turbine operation. In designing a detection algorithm for these events, we find that the typical, non-dimensional power-law-based wind shear exponent is insufficient to identify many of these extreme, high-wind-speed events. Rather, we find that the simple vertical gradient of wind speed better captures the events. Based on this detection method, we find that almost 100 independent events occur throughout the year with mean wind speed at 100 m height and wind speed gradient of 16 m s -1 and 0.05 s -1 , respectively. The events have strong seasonal variability, with the highest number of events in summer and the lowest in winter. A detailed analysis reveals that these events are enabled by an induced stable stratification when warmer air from the south flows over the colder mid-Atlantic waters, leading to a positive air–sea temperature difference.

17 WIND ENERGY↗
DOE OSTI2022

Capturing an Early Gene Induction Event during Wood Decay by the Brown Rot Fungus Rhodonia placenta

Brown rot fungi dominate wood decomposition in coniferous forests, and their carbohydrate-selective mechanisms are of commercial interest. Brown rot was recently described as a two-step, sequential mechanism orchestrated by fungi using differentially expressed genes (DEGs) and consisting of oxidation via reactive oxygen species (ROS) followed by enzymatic saccharification. There have been indications, however, that the initial oxidation step itself might require induction. To capture this early gene regulation event, here, we integrated fine-scale cryosectioning with whole-transcriptome sequencing to dissect gene expression at the single-hyphal-cell scale (tens of micrometers). This improved the spatial resolution 50-fold, relative to previous work, and we were able to capture the activity of the first 100 μm of hyphal front growth by Rhodonia placenta in aspen wood. This early decay period was dominated by delayed gene expression patterns as the fungus ramped up its mechanism. These delayed DEGs included many genes implicated in ROS pathways (lignocellulose oxidation [LOX]) that were previously and incorrectly assumed to be constitutively expressed. These delayed DEGs, which include those with and without predicted functions, also create a focused subset of target genes for functional genomics. However, this delayed pattern was not universal, with a few genes being upregulated immediately at the hyphal front. Most notably, this included a gene commonly implicated in hydroquinone and iron redox cycling: benzoquinone reductase.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Real-time Event Detection Using Rank Signatures of Real-world PMU Data

Timely detection of power system events is a crucial task, which can facilitate the implementation of remedial actions to improve reliability, resiliency, and security of the system. Meanwhile, the widespread deployment of phasor measurement units (PMUs) makes it possible to develop data-driven event detection techniques. However, relying purely on data without incorporating domain knowledge for the event detection task in power systems poses substantial security and stability risks due to issues associated with data misinterpretation and model accuracy. In this regard, we propose a real-time event detection method using real-world PMU data by incorporating domain knowledge to adequately capture the event signatures. Specifically, we track the change in rank signatures of PMU data to accurately localize the events. To optimize the detection process, we incorporate an offline Bayesian optimization algorithm to tune the parameters by efficiently searching for the best values. The experiments using the real-world PMU dataset from a U.S. interconnection show that the proposed event detection approach can efficiently detect the events from PMU data streams with high accuracy.

Ghasemkhani, Amir↗
DOE OSTI2021

19-LW-045 Full Length Final Report. Molecular Mechanisms of Bacterial Pathogenesis: Waging the Arms Race with Superbugs

As the current global pandemic makes abundantly clear, we need a better understanding of infectious disease to safeguard human health, the economy and global security. Modern omics techniques hold the promise of providing a comprehensive understanding of the molecular mechanisms of life, including causes of pathogenesis from infectious disease at the molecular level, but we there is a serious gap in annotation of gene function. For as much as half of the genes and gene products encoded in genomes the molecular and/or cellular function is unknown or only partially understood. Recent innovations in fluorescence microscopy for live cell imaging and genetic engineering make it possible to determine the temporal correlation between molecular events, such as a gene being expressed due to host-pathogen interaction, and cellular events, such as bacterial invasion of immune cells. This is turn allows us to gain new insight as to the molecular and cellular role of individual genes and will enable the discovery and validation of new molecular mechanisms essential for infectious disease. Knowing the molecular mechanisms of disease processes will provide new therapeutic targets or novel countermeasure strategies. We aimed to develop a lattice light sheet fluorescence microscope as a unique resource at LLNL for long time course live cell imaging experiments; to develop the reagents and cell lines needed to monitor molecular events during the course pathogenic bacteria infecting mammalian immune cells; and to demonstrate that we could capture molecular events during an infection. We fully commissioned the LLNL lattice light sheet microscope and conducted initial proof of principle imaging experiments on mammalian immune cells and pathogenic bacteria. It is clear from the experience gained that long time course live cell imaging has tremendous potential to help elucidate molecular mechanisms of host-pathogen interactions and to help annotate gene function, which would establish a basis for new countermeasures. It is also clear that if live cell imaging is to realize its full potential new data processing and analysis tools will need to be developed to facilitate analysis of molecular events within cells; new sample chambers and stages could facilitate studies with a wider range of cell and tissue types; and alternative molecular tagging methods need to be explored to enable more facile engineering of cells labeled with molecular specificity.

59 BASIC BIOLOGICAL SCIENCES↗