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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 109 records · Page 6

Unsupervised anomaly clustering via offset alignment in multivariate grid sensing data

Modern industries increasingly rely on multi-sensor technologies to acquire complex, high-dimensional data streams, enabling advanced monitoring and control systems. One critical application is online anomaly detection in electrical smart grids, where multivariate and multimodal sensing technologies play a vital role. However, detecting anomalies in such time-series data is challenging due to their inherent temporal dependencies and stochastic behavior. Traditional approaches based on supervised and semi-supervised learning methods depend on labeled datasets, which are often unavailable in real-world scenarios. While unsupervised methods have emerged as promising alternatives, these methods are highly susceptible to noise and outliers commonly present in sensing applications. Furthermore, deep learning-based anomaly detection methods, despite their performance, are often criticized for their black-box nature, limiting their applicability in safety-critical and online environments where interpretability and explainability are paramount. In this work, we propose an unsupervised anomaly clustering method leveraging a cyclic alignment-based offset detection algorithm for multivariate time-series signals. The proposed method is applied to multivariate data collected from vibrational, voltage, and magnetic field sensors deployed in a local grid substation. Our results demonstrate the robustness of the algorithm in accurately clustering various anomalies/events across different sensing modalities. Additionally, we compare the effectiveness of the proposed approach against a simple pattern-based anomaly detection method, which performs well for univariate data but fails to generalize to multivariate and multimodal time-series data.

Mukherjee, Subrata [ORNL] (ORCID:0000000309930338)↗

Wavelength Dependence of Activity-induced Photometric Variations for Young Cool Stars in Hyades

We investigate photometric variations due to stellar activity that induce systematic radial-velocity errors (so-called “jitter”) for the four targets in the Hyades open cluster observed by the K2 mission (EPIC 210721261, EPIC 210923016, EPIC 247122957, and EPIC 247783757). Applying Gaussian process regressions to the K2 light curves and the near-infrared (NIR) light curves observed with the IRSF 1.4 m telescope, we derive the wavelength dependences of the photometric signals due to stellar activity. To estimate the temporal variations in the photometric variability amplitudes between the two observation periods of K2 and IRSF, separated by more than 2 yr, we analyze a number of K2 targets in Hyades that have also been observed in Campaigns 4 and 13 and find a representative variation rate over 2 yr of 38% ± 71%. Taking this temporal variation into account, we constrain projected sizes and temperature contrast properties of the starspots in the stellar photosphere to be approximately 10% and 0.95%, respectively. These starspot properties can induce relatively large differences in the variability amplitude over different observational passbands, and we find that radial-velocity jitter may be more suppressed in the NIR than previously expected. Our result supports profits of ongoing exoplanet search projects that are attempting to detect or confirm young planets in open clusters via radial-velocity measurements in the NIR.

47 OTHER INSTRUMENTATION↗

Real-time dynamics and structures of supported subnanometer catalysts via multiscale simulations

Understanding the performance of subnanometer catalysts and how catalyst treatment and exposure to spectroscopic probe molecules change the structure requires accurate structure determination under working conditions. Experiments lack simultaneous temporal and spatial resolution and could alter the structure, and similar challenges hinder first-principles calculations from answering these questions. Here, we introduce a multiscale modeling framework to follow the evolution of subnanometer clusters at experimentally relevant time scales. We demonstrate its feasibility on Pd adsorbed on CeO 2 (111) at various catalyst loadings, temperatures, and exposures to CO. We show that sintering occurs in seconds even at room temperature and is mainly driven by free energy reduction. It leads to a kinetically (far from equilibrium) frozen ensemble of quasi-two-dimensional structures that CO chemisorption and infrared experiments probe. CO adsorption makes structures flatter and smaller. High temperatures drive very rapid sintering toward larger, stable/metastable equilibrium structures, where CO induces secondary structure changes only.

36 MATERIALS SCIENCE↗

A Taxonomic Classification Approach for Global Spatio-temporal Data

The World Bank, World Health Organization, and other major vendors collectively provide thousands of global time series datasets that focus on issues of the environment, public health, economics, violence, education, and national security. Sorting these data into meaningful information requires the use of data mining techniques to cluster trends into an orderly and manageable number of cases. The World SpatioTemporal Analytics and Mapping (WSTAMP) project database (wstamp.ornl.gov) was developed to spatiotemporally harmonize global vendor data (23,300+ attributes, 200+ locations, 50+ years). Within the WSTAMP analytical environment, Dynamic Time Warping (DTW) has been a highly effective data-driven approach for clustering and mapping these time series into national spatiotemporal behavior maps. Two significant properties have surfaced from this work. First, several recognizable cluster patterns have emerged and persist across a range of locations, attributes, and time frames (e.g., increasing, decreasing, rebounding, peak, oscillating). Secondly, practitioners engaging WSTAMP have noted the explanatory and anticipatory value of these patterns and articulated particular interest in detecting them within the spatiotemporal cube. This need was addressed by shifting DTW-based clustering from an open ended, data-driven implementation to a taxonomic pattern matching approach. This paper presents the method including implementation strategies for visualization and human computer interaction and applies the approach to a sample data set and concludes with next steps.

Stewart, Robert↗

Coherent correlation imaging for resolving fluctuating states of matter

Fluctuations and stochastic transitions are ubiquitous in nanometre-scale systems, especially in the presence of disorder. However, their direct observation has so far been impeded by a seemingly fundamental, signal-limited compromise between spatial and temporal resolution. Here we develop coherent correlation imaging (CCI) to overcome this dilemma. Our method begins by classifying recorded camera frames in Fourier space. Contrast and spatial resolution emerge by averaging selectively over same-state frames. Temporal resolution down to the acquisition time of a single frame arises independently from an exceptionally low misclassification rate, which we achieve by combining a correlation-based similarity metric with a modified, iterative hierarchical clustering algorithm. We apply CCI to study previously inaccessible magnetic fluctuations in a highly degenerate magnetic stripe domain state with nanometre-scale resolution. We uncover an intricate network of transitions between more than 30 discrete states. Our spatiotemporal data enable us to reconstruct the pinning energy landscape and to thereby explain the dynamics observed on a microscopic level. CCI massively expands the potential of emerging high-coherence X-ray sources and paves the way for addressing large fundamental questions such as the contribution of pinning and topology in phase transitions and the role of spin and charge order fluctuations in high-temperature superconductivity.

36 MATERIALS SCIENCE↗

Uncovering acoustic signatures of pore formation in laser powder bed fusion

Abstract We present a machine learning workflow to discover signatures in acoustic measurements that can be utilized to create a low-dimensional model to accurately predict the location of keyhole pores formed during additive manufacturing processes. Acoustic measurements were sampled at 100 kHz during single-layer laser powder bed fusion (LPBF) experiments, and spatio-temporal registration of pore locations was obtained from post-build radiography. Power spectral density (PSD) estimates of the acoustic data were then decomposed using non-negative matrix factorization with custom $$\varvec{k}$$ k -means clustering (NMF $$\varvec{k}$$ k ) to learn the underlying spectral patterns associated with pore formation. NMF $$\varvec{k}$$ k returned a library of basis signals and matching coefficients to blindly construct a feature space based on the PSD estimates in an optimized fashion. Moreover, the NMF $$\varvec{k}$$ k decomposition led to the development of computationally inexpensive machine learning models which are capable of quickly and accurately identifying pore formation with classification accuracy of supervised and unsupervised label learning greater than 95% and 90%, respectively. The intrinsic data compression of NMF k , the relatively light computational cost of the machine learning workflow, and the high classification accuracy makes the proposed workflow an attractive candidate for edge computing toward in-situ keyhole pore prediction in LPBF.

36 MATERIALS SCIENCE↗

More Than 40 yr of Potentially Induced Seismicity Close to the San Andreas Fault in San Ardo, Central California

Evidence for fluid–injection–induced seismicity is rare in California hydrocarbon basins, despite widespread injection close to seismically active faults. We investigate a potential case of injection–induced earthquakes associated with San Ardo oilfield operations that began in the early 1950s. The largest potentially induced events occurred in 1955 (M L 5.2) and 1985 (M w 4.5) within ~6 km from the oilfield. We analyze Synthetic Aperture Radar interferometric images acquired by Sentinel–1A/B satellites between 2016 and 2020 and find surface deformation of up to 1.5 cm/yr, indicating pressure–imbalance in parts of the oilfield. Fluid injection in San Ardo is concentrated within highly permeable rocks directly above the granitic basement at a depth of ~800 m. Seismicity predominantly occurs along basement faults at 6–13 km depths. Seismicity and wastewater disposal wells are spatially correlated to the north of the oilfield. Temporal correlations are observed over more than 40 yr with correlation coefficients of up to 0.71 for seismicity within a 24 km distance from the oilfield. Such large distances have not previously been observed in California but are similar to the large spatial footprint of injection in Oklahoma. Furthermore, the San Ardo seismicity shows anomalous clustering with earthquakes consistently occurring at close spatial proximity but long interevent times. Similar clustering has previously been reported in California geothermal fields and may be indicative of seismicity driven by long–term, spatially persistent external forcing.

58 GEOSCIENCES↗

Attention Network Forecasts Time-to-Failure in Laboratory Shear Experiments

Rocks under stress deform by creep mechanisms that include formation and slip on small-scale internal cracks. Intragranular cracks and slip along grain contacts release energy as elastic waves termed acoustic emissions (AE). AEs are thought to contain predictive information that can be used for fault failure forecasting. Here, we present a method using unsupervised classification and an attention network to forecast labquakes using AE waveform features. Our data were generated in a laboratory setting using a biaxial shearing device with granular fault gouge intended to mimic the conditions of tectonic faults. Here, we analyzed the temporal evolution of AEs generated throughout several hundred laboratory earthquake cycles. We used a Conscience Self-Organizing Map (CSOM) to perform topologically ordered vector quantization based on waveform properties. The resulting map was used to interactively cluster AEs. We examined the clusters over time to identify those with predictive ability. Finally, we used a variety of LSTM and attention-based networks to test the predictive power of the AE clusters. By tracking cumulative waveform features over the seismic cycle, the network is able to forecast the time-to-failure (TTF) of lab earthquakes. Our results show that analyzing the data to isolate predictive signals and using a more sophisticated network architecture are key to robustly forecasting labquakes. In the future, this method could be applied on tectonic faults to monitor earthquakes and augment early warning systems.

58 GEOSCIENCES↗

Examining the changes in the spatial manifestation and the rate of arrival of large tornado outbreaks

This study presents an assessment of the spatial and temporal characteristics of large tornado outbreak (LTOs) days, in which several counties were impacted by tornadoes rated F2(EF2) or greater on the Fujita (Enhanced Fujita) scale in one day. A statistical evaluation of changes in the LTO clusters for two periods, 1950–1980 and 1989–2019, has been performed. There is a geographical shift of the nucleus (central impact location) towards the southeast United States. This spatial shift is also accompanied by reduced spatial variance, suggesting LTOs have become less dispersed (or more localized) in the recent period. The overall inter-arrival rate of LTOs, and how it changed during successive 31-year climatological blocks between 1950–2019 was investigated using an exponential probability model. The arrival rate has changed from 124 days during 1950–1980 to 164 days during 1977–2007 and remained relatively constant during later periods, indicating that LTOs are becoming less frequent.

54 ENVIRONMENTAL SCIENCES↗

VERITAS and Multiwavelength Observations of the Blazar B3 2247+381 in Response to an IceCube Neutrino Alert

While the sources of the diffuse astrophysical neutrino flux detected by the IceCube Neutrino Observatory are still largely unknown, one of the promising methods to improve our understanding of them is investigating the potential temporal and spatial correlations between neutrino alerts and the electromagnetic radiation from blazars. We report on the multiwavelength target-of-opportunity observations of the blazar B3 2247+381, taken in response to an IceCube multiplet alert for a cluster of muon neutrino events compatible with the source location between 2022 May 20 and 2022 November 10. B3 2247+381 was not detected with VERITAS during this time period. The source was found to be in a low-flux state in the optical, ultraviolet, and gamma-ray bands for the time interval corresponding to the neutrino event, but was detected in the hard X-ray band with NuSTAR during this period. We find the multiwavelength spectral energy distribution is described well using a simple one-zone leptonic synchrotron self-Compton radiation model. Moreover, assuming the neutrinos originate from hadronic processes within the jet, the neutrino flux would be accompanied by a photon flux from the cascade emission, and the integrated photon flux required in such a case would significantly exceed the total multiwavelength fluxes and the VERITAS upper limits presented here. The lack of flaring activity observed with VERITAS, combined with the low multiwavelength flux levels, as well as the significance of the neutrino excess being at a 3σ level (uncorrected for trials), makes B3 2247+381 an unlikely source of the IceCube multiplet. We conclude that the neutrino excess is likely a background fluctuation.

79 ASTRONOMY AND ASTROPHYSICS↗

Metallofullerene photoswitches driven by photoinduced fullerene-to-metal electron transfer

We report on the discovery and detailed exploration of the unconventional photo-switching mechanism in metallofullerenes, in which the energy of the photon absorbed by the carbon cage π-system is transformed to mechanical motion of the endohedral cluster accompanied by accumulation of spin density on the metal atoms. Comprehensive photophysical and electron paramagnetic resonance (EPR) studies augmented by theoretical modelling are performed to address the phenomenon of the light-induced photo-switching and triplet state spin dynamics in a series of Y x Sc 3-x N@C 80 (x = 0–3) nitride clusterfullerenes. Variable temperature and time-resolved photoluminescence studies revealed a strong dependence of their photophysical properties on the number of Sc atoms in the cluster. All molecules in the series exhibit temperature-dependent luminescence assigned to the near-infrared thermally-activated delayed fluorescence (TADF) and phosphorescence. The emission wavelengths and Stokes shift increase systematically with the number of Sc atoms in the endohedral cluster, whereas the triplet state lifetime and S 1 –T 1 gap decrease in this row. For Sc 3 N@C 80 , we also applied photoelectron spectroscopy to obtain the triplet state energy as well as the electron affinity. Spin distribution and dynamics in the triplet states are then studied by light-induced pulsed EPR and ENDOR spectroscopies. The spin–lattice relaxation times and triplet state lifetimes are determined from the temporal evolution of the electron spin echo after the laser pulse. Well resolved ENDOR spectra of triplets with a rich structure caused by the hyperfine and quadrupolar interactions with 14 N, 45 Sc, and 89 Y nuclear spins are obtained. The systematic increase of the metal contribution to the triplet spin density from Y 3 N to Sc 3 N found in the ENDOR study points to a substantial fullerene-to-metal charge transfer in the excited state. These experimental results are rationalized with the help of ground-state and time-dependent DFT calculations, which revealed a substantial variation of the endohedral cluster position in the photoexcited states driven by the predisposition of Sc atoms to maximize their spin population.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Data-Driven Clustering and Classification of Outage Patterns with Insights into their Links to Extreme Events

At a global level extreme events have increased in both scale and impact. These events have the potential to affect the electrical grid infrastructure and cause a wide range of outages, which can lead to a disruption in daily patterns, cost millions of dollars and also the loss of life. Currently, to track these outage events there have been various approaches developed ranging from regional to national level quantifications for what defines an outage. However, this variation in methods can potentially lead to subjective decision-making and a lack of proper management in relation to the event. While previous work has made strides in determining spatio-temporal patterns, minimal attention has been given to the type and number of outages an area may be exposed to. The differences in incurred cost and the overall severity of an event between a transformer box malfunction and a hurricane are drastic, and by finding historical signals, we can allow for more efficient management, potentially saving lives and millions of dollars. Here, we leverage unsupervised machine learning techniques to delineate outage patterns among 22 counties within the United States and find that there are clear, segregated clusters (0.93 silhouette) of data which are related by event behavior and underlying cause. This finding will allow for energy stakeholders, policy makers, and researchers to gain a deeper understanding of the extent and severity of historic events and to better prepare for electrical grid infrastructure planning and management.

Koob, Benjamin [ORNL]↗

Nonlinear dynamics of multiple Alfvén modes driven by trapped energetic ions in tokamaks: A triplet paradigm

Non-linear dynamics of multiple infernal Alfvén eigenmodes—a subset of global Alfvén eigenmodes in tokamak plasmas with extended low-shear central core [Marchenko et al., Phys. Plasmas 16, 092502 (2009)]—is studied. The analysis is carried out for a mode triplet with toroidal mode-numbers n=1, 2, 3. It was assumed that the n = 1 mode was linearly unstable due to precession resonance with trapped fast ions, whereas the other modes were linearly damped. The modes were coupled due to a non-linearity in a bounce-averaged drift kinetic equation for the distribution function of fast ions. Nonlinear equations for the mode amplitudes and phases are derived and solved numerically. It is found that the temporal evolution of the amplitudes and the phase (responsible for the frequency chirping) of the modes exhibit Hopf bifurcations to stable limit cycles. This can explain a synchronous cyclic destabilization of multiple modes in Alfvén avalanches (sudden growth of amplitudes of the mode cluster with different n and approximately equal frequency spacing) in NSTX and bursting modes in MAST—events, which resulted in enhanced loss of fast ions.

Marchenko, V. S. (ORCID:0000000261480533)↗

Vapor-cavity-QED system for quantum computation and communication

In this work, we propose performing key operations in quantum computation and communication using room-temperature atoms moving across a grid of high-quality-factor, small-mode-volume cavities. These cavities enable high-cooperativity interactions with single atoms to be achieved with a characteristic timescale much shorter than the atomic transit time, allowing multiple coherent operations to take place. We study scenarios where we can drive a Raman transition to generate photons with specific temporal shapes and to absorb, and hence detect, single photons. The strong atom-cavity interaction can also be used to implement the atom-photon controlled-phase gate, which can then be used to construct photon-photon gates, create photonic cluster states, and perform nondemolition detection of single photons. We provide numerics validating our methods and discuss the implications of our results for several applications.

Austin, Sharoon [National Institute of Standards a↗

Scintillator-based Timepix3 detector for neutron spin-echo techniques using intensity modulation

A scintillator-based Timepix3 (TPX3) detector was developed to resolve the high-frequency modulation of a neutron beam in both spatial and temporal domains, as required for neutron spin-echo experiments. In this system, light from a scintillator is manipulated with an optical lens and is intensified using an image intensifier, making it detectable with the TPX3 chip. Two different scintillators, namely, 6 LiF:ZnS(Ag) and 6 LiI:Eu, were investigated to achieve the high resolution needed for spin-echo modulated small-angle neutron scattering (SEMSANS) and modulation of intensity with zero effort (MIEZE). The methodology for conducting event-mode analysis is described, including the optimization of clustering parameters for both scintillators. The detector with both scintillators was characterized with respect to detection efficiency, spatial resolution, count rate, uniformity, and γ-sensitivity. The 6 LiF:ZnS(Ag) scintillator-based detector achieved a spatial resolution of 200 μm and a count rate capability of 1.1 × 10 5 cps, while the 6 LiI:Eu scintillator-based detector demonstrated a spatial resolution of 250 μm and a count rate capability exceeding 2.9 × 10 5 cps. Furthermore, high-frequency intensity modulations in both spatial and temporal domains were successfully observed, confirming the suitability of this detector for SEMSANS and MIEZE techniques, respectively.

47 OTHER INSTRUMENTATION↗

Time-dependent-bases with local CUR decomposition method for accelerating turbulent combustion simulations

Here, this study presents a novel reduced-order modeling framework, Time-Dependent Bases with Local CUR decomposition (TDB-L-CUR), designed to efficiently and accurately approximate the species transport equations in reacting flow simulations. The method extends the existing TDB-CUR approach for chemically reacting flows (Jung et al. Comput. Methods Appl. Mech. Engrg. 437 (2025) 117758), which leverages matrix decomposition techniques to form a global-in-space, time-dependent low-dimensional manifold. While TDB-CUR performs well in homogeneous systems, it may be less well-suited to spatially heterogeneous systems such as turbulent flames, where higher-rank approximations are typically required. The proposed TDB-L-CUR framework introduces two methodological extensions to the baseline approach. First, it applies unsupervised clustering to partition the physical domain into distinct regions, enabling spatially localized manifold construction, thereby reducing the rank required for the reduced-order representation. Second, it incorporates a computational singular perturbation (CSP)-based scheme for identifying and penalizing fast species, allowing for spatio-temporally adaptive mitigation of chemical stiffness. The proposed framework is validated on a hierarchy of test cases, including a one-dimensional premixed flame, a two-dimensional nonpremixed ignition case with vortex interaction, and a three-dimensional turbulent premixed flame. TDB-L-CUR significantly improves accuracy over TDB-CUR while further reducing computational cost. The fully on-the-fly formulation of TDB-L-CUR (i.e., requiring no offline training or prior knowledge) makes it a robust and scalable tool for reduced-order modeling of reactive flows.

Local manifold↗

Whole-Genome Sequencing and Bioinformatic Analysis of Environmental, Agricultural, and Human Campylobacter jejuni Isolates From East Tennessee

As a leading cause of bacterial-derived gastroenteritis worldwide, Campylobacter jejuni has a significant impact on human health in both the developed and developing worlds. Despite its prevalence as a human pathogen, the source of these infections remains poorly understood due to the mutation frequency of the organism and past limitations of whole genome analysis. Recent advances in both whole genome sequencing and computational methods have allowed for the high-resolution analysis of intraspecies diversity, leading multiple groups to postulate that these approaches may be used to identify the sources of Campylobacter jejuni infection. To address this hypothesis, our group conducted a regionally and temporally restricted sampling of agricultural and environmental Campylobacter sources and compared isolated C. jejuni genomes to those that caused human infections in the same region during the same time period. Through a network analysis comparing genomes from various sources, we found that human C. jejuni isolates clustered with those isolated from cattle and chickens, indicating these as potential sources of human infection in the region.

59 BASIC BIOLOGICAL SCIENCES↗