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At least 379 records · Page 21

Active anomaly detection for time-domain discoveries

Aims. We present the first evidence that adaptive learning techniques can boost the discovery of unusual objects within astronomical light curve data sets. Methods. Our method follows an active learning strategy where the learning algorithm chooses objects which can potentially improve the learner if additional information about them is provided. This new information is subsequently used to update the machine learning model, allowing its accuracy to evolve with each new information. For the case of anomaly detection, the algorithm aims to maximize the number of scientifically interesting anomalies presented to the expert by slightly modifying the weights of a traditional Isolation Forest (IF) at each iteration. In order to demonstrate the potential of such techniques, we apply the Active Anomaly Discovery (AAD) algorithm to 2 data sets: simulated light curves from the Photometric LSST Astronomical Time-Series Classification Challenge (PLAsTiCC) and real light curves from the Open Supernova Catalog. We compare the AAD results to those of a static IF. For both methods, we performed a detailed analysis for all objects with the ~2% highest anomaly scores. Results. We show that, in the real data scenario , AAD was able to identify ~80% more true anomalies than the IF. This result is the first evidence that AAD algorithms can play a central role in the search for new physics in the era of large scale sky surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

Quality Assurance and Quality Control (QA/QC) of Meteorological Time Series Data for Billy Barr, East River, Colorado USA

A comprehensive Quality Assurance (QA) and Quality Control (QC) statistical framework consists of three major phases: Phase 1—Preliminary raw data sets exploration, including time formatting and combining datasets of different lengths and different time intervals; Phase 2—QA of the datasets, including detecting and flagging of duplicates, outliers, and extreme values; and Phase 3—the development of time series of a desired frequency, imputation of missing values, visualization and a final statistical summary. The time series data collected at the Billy Barr meteorological station (East River Watershed, Colorado) were analyzed. The developed statistical framework is suitable for both real-time and post-data-collection QA/QC analysis of meteorological datasets.The files that are in this data package include one excel file, converted to CSV format (Billy_Barr_raw_qaqc.csv) that contains the raw meteorological data, i.e., input data used for the QA/QC analysis. The second CSV file (Billy_Barr_1hr.csv) is the QA/QC and flagged meteorological data, i.e., output data from the QA/QC analysis. The last file (QAQC_Billy_Barr_2021-03-22.R) is a script written in R that implements the QA/QC and flagging process. The purpose of the CSV data files included in this package is to provide input and output files implemented in the R script.

54 ENVIRONMENTAL SCIENCES↗

Imaging, understanding, and control of nanoscale materials transformations

The development of liquid cells for transmission electron microscopy has enabled breakthroughs in our ability to follow nanoscale structural, morphological, or chemical changes during materials growth and applications. Time-resolved high-resolution imaging and chemical analysis through liquids opened the opportunity to capture nanoscale dynamic processes of materials, including reaction intermediates and the transformation pathways. In this article, a series of work is highlighted with topics ranging from liquid cell developments to in situ studies of nanocrystal growth and transformations, dendrite formation, and suppression of lithium dendrites through in situ characterization of the solid–electrolyte interphase chemistry. The understanding garnered is expected to accelerate the discovery of novel materials for applications in energy storage, catalysis, sensors, and other functional devices.

36 MATERIALS SCIENCE↗

Network Models of Active Degradation Mechanisms and Pathways for Service Life Prediction of Indoor and Outdoor PV Modules

ct: PV service lifetime prediction (SLP) enables accurate calculation of levelized cost of energy (LCOE), which is crucial to rationalizing PV investment and installation. However, SLP is challeging since PV reliability in the field is affected by many combined factors, including various environmental stresses and module quality. In order to map out the active degradation mechanisms and pathways that best resemble real world conditions, we introduce the framework of a study protocol and use network models fitted to data, to enable analysis and SLP of complex PV systems with multiple active degradation mechanisms. The study protocol is the experimental design, including module variants and different exposure conditions, selection of evaluation methods, time-series data acquisition and training of network models to these data. We present SLP of minimodules in the lab and PV systems in the field. For lab SLP, minimodules with 8 variants based on manufacturer, architecture, and encapsulation were prepared and aged in modified damp heat with or without full spectrum light exposure. Stepwise I-V and Suns-Voc data acquisition tracks changes in electrical properties including Rs,IV, Isc,IV, Vmp,PIV providing insights into power loss of minimodules. Network structural equation modeling (netSEM) was utilized to construct degradation pathway models that identify active degradation mechanisms and predict power loss over time. For field SLP, datastreams of Pmp values and I-V curve datastreams of two types of modules installed in three distinctly different Köppen-Geiger climate zones for 9 years were acquired. With power loss modes corresponding to uniform current loss (ΔPIsc), recombination (ΔPVoc), series resistance (ΔPRs), and current mismatch (ΔPImis) determined, the performance loss rates (PLR) were determined using PVplr. We show how to establish a study protocol framework to ensure appropriate parametric variations and valid data collection from the variants of your complex systems. Then the data-driven netSEM model fitting provides a comprehensive mapping of multiple active degradation mechanisms, and accurate service life prediction.

network model, degradation, photovoltaic, solar↗

Evaluation of cooling setpoint setback savings in commercial buildings using electricity and exterior temperature time series data

Commercial buildings account for a significant amount of total energy produced in the US, and the Heating Ventilation and Cooling (HVAC) systems are one of the most significant components of their overall consumption. In this study, we proposed a new data-driven approach to evaluate HVAC cooling systems in commercial buildings and identify savings opportunities. The focus is an investigation of the impact of thermostat setpoint setback but using only whole building, electricity data taken at 15-min intervals for the analysis. We conducted a comparative study of setpoint setback characteristics on 432 commercial buildings with 5 building usage types across the United States. To accomplish this, both piecewise and Random Forest regression algorithms were employed using electricity and exterior temperature datasets to identify operational characteristics and the effective setpoints in the building to determine the corresponding savings opportunities. Both occupied and unoccupied time periods were studied across cooling degree days (CDD), when air conditioning is typically operational. Here the results show that in commercial buildings, on average, cooling systems account for 9.5% of total consumption. When a one degree setback during the cooling season is applied, an average of approximately 1.1% of annual consumption is achieved; retail and office buildings demonstrate the highest potential for savings. Additionally, we identified that the number of cooling degree days and base to peak ratio (BPR) are the most important variables for predicting the magnitude of the consumption of cooling systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Integrated Large-Scale Data Management Platform for Photovoltaic Power Conversion Equipment (PCE) Reliability Data

To meet the demand for accuracy and real-time capability of PV system degradation evaluation, massive volume data is needed to run high-fidelity and high-efficiency simulations and perform advanced data analysis. However, PV farm operators have a series of difficulties with PV inverter data, such as data collection from multiple channels, massive data storage, data management and massive data analysis. To address these challenges, we developed an integrated data management platform capable of data acquisition, processing, storage, query, and performing big data analysis utilizing AI algorithms. The platform can also achieve data correctness verification and provide an effective distributed data management solution to retrieve massive data and establish a connection to distributed computational frameworks.

data management platform↗

Integrated Large-Scale Data Management Platform for Photovoltaic Power Conversion Equipment (PCE) Reliability Data: Preprint

To meet the demand for accuracy and real-time capability of PV system degradation evaluation, massive volume data is needed to run high-fidelity and high-efficiency simulations and perform advanced data analysis. However, PV farm operators have a series of difficulties with PV inverter data, such as data collection from multiple channels, massive data storage, data management and massive data analysis. To address these challenges, we developed an integrated data management platform capable of data acquisition, processing, storage, query, and performing big data analysis utilizing AI algorithms. The platform can also achieve data correctness verification and provide an effective distributed data management solution to retrieve massive data and establish a connection to distributed computational frameworks.

data management↗

Synthesis of ARM User Facility Surface Rainfall Datasets to Construct a Best Estimate Value Added Product (PrecipBE)

Surface precipitation measurements are essential for Earth system model (ESM) evaluation and understanding cloud processes. An ever-growing need for robust, temporally evolving, and easy-to-use statistical datasets provides motivation for a baseline ground-based precipitation properties data product. The U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility operates an extensive suite of precipitation instruments with various sensitivities and operating mechanisms, which render the decision of which instrument to use based on one or more fixed thresholds challenging and prone to errors and bias. Using a long-term instrument inter-comparison from a unique per-precipitation event perspective, rather than instantaneous sample comparison, we demonstrate that ARM rainfall-measuring instruments are generally consistent with each other at the statistical level. Inter-instrument deviations at the single event level can be large, especially for specific rainfall event properties such as maximum precipitation rates. A machine-learning (ML) analysis using a random forest regressor indicates that in some cases, depending on instrument, local site climatology, and/or specific deployment configuration, certain atmospheric state variables influence the measured quantities in an unpredictable manner. Thus, a-priori weighting of different instruments does not necessarily lead to more accurate and less biased synthesis of instrument data. These results motivate the design of the ARM precipitation best-estimate (PrecipBE) value-added product, which incorporates all valid precipitation data while considering data quality and other instrument limitations. PrecipBE consists of time series and tabular statistics datasets in an easy-to-use and insightful per-precipitation event format. It provides a large set of precipitation event properties supplemented with ancillary data from ARM datasets that correspond to the detected precipitation events. We describe the PrecipBE algorithm and demonstrate its use via the examination of a single-day output as well as a long-term trend analysis of precipitation events at the ARM Southern Great Plains (SGP) site, covering more than 30 years of data. The trend analysis tentatively suggests a long-term temporal tendency for mainly shorter and less intense precipitation events at the SGP site, but a long-term increase in annual rainfall by more than 36 mm (5 %) per decade. This rainfall trend is catalyzed primarily by more extreme event properties of relatively rare, intense precipitation events, with event total and 1 min maximum precipitation rate at a 1 year timeframe increasing up to 5 mm and 9 mm h −1 (several percent) per decade, respectively. While the currently available PrecipBE datasets (at https://adc.arm.gov/discovery/, last access: 8 December 2025) cover rainfall from multiple ARM deployments up to March 2025, PrecipBE is planned to be expanded to include solid-phase precipitation and will soon become an operational product with a several-day lag from real-time. We invite the ARM user community to leverage this new product and welcome user feedback to further enhance the dataset.

Silber, Israel [Pacific Northwest National Laborat↗

Artifact identification in X-ray diffraction data using machine learning methods

In situ synchrotron high-energy X-ray powder diffraction (XRD) is highly utilized by researchers to analyze the crystallographic structures of materials in functional devices ( e.g. battery materials) or in complex sample environments ( e.g. diamond anvil cells or syntheses reactors). An atomic structure of a material can be identified by its diffraction pattern along with a detailed analysis of the Rietveld refinement which yields rich information on the structure and the material, such as crystallite size, microstrain and defects. For in situ experiments, a series of XRD images is usually collected on the same sample under different conditions ( e.g. adiabatic conditions) yielding different states of matter, or is simply collected continuously as a function of time to track the change of a sample during a chemical or physical process. In situ experiments are usually performed with area detectors and collect images composed of diffraction patterns. For an ideal powder, the diffraction pattern should be a series of concentric Debye–Scherrer rings with evenly distributed intensities in each ring. For a realistic sample, one may observe different characteristics other than the typical ring pattern, such as textures or preferred orientations and single-crystal diffraction spots. Textures or preferred orientations usually have several parts of a ring that are more intense than the rest, whereas single-crystal diffraction spots are localized intense spots owing to diffraction of large crystals, typically >10 µm. In this work, an investigation of machine learning methods is presented for fast and reliable identification and separation of the single-crystal diffraction spots in XRD images. The exclusion of artifacts during an XRD image integration process allows a precise analysis of the powder diffraction rings of interest. When it is trained with small subsets of highly diverse datasets, the gradient boosting method can consistently produce high-accuracy results. The method dramatically decreases the amount of time spent identifying and separating single-crystal diffraction spots in comparison with the conventional method.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Overview of the fusion nuclear science facility, a credible break-in step on the path to fusion energy

The Fusion Nuclear Science Facility (FNSF) is examined here as part of a two step program from ITER to commercial power plants. This first step is considered mandatory to establish the materials and component database in the real fusion in-service environment before proceeding to larger electricity producing facilities. The FNSF can be shown to make tremendous advances beyond ITER, toward a power plant, particularly in plasma duration and fusion nuclear environment. A moderate FNSF is studied in detail, which does not generate net electricity, but does reach the power plant blanket operating temperatures. The full poloidal Dual Coolant Lead Lithium (DCLL) blanket is chosen, with alternates being the Helium Cooled Lead Lithium (HCLL) and Helium Cooled Ceramic Breeder/Pebble Bed (HCCB/PB). Several power plant relevant choices are made in order to follow the philosophy of targeted technologies. Any fusion core component must be qualified by fusion relevant neutron testing and highly integrated non-nuclear testing before it can be installed on the FNSF in order to avoid the high probability of constant failures in a plasma-vacuum system. A range of missions for the FNSF, or any fusion nuclear facility on the path toward fusion power plants, are established and characterized by several metrics. A conservative physics strategy is pursued to accommodate the transition to ultra-long plasma pulses, and parameters are chosen to represent the power plant regime to the extent possible. An operating space is identified, and from this, one point is chosen for further detailed analysis, with R = 4.8 m, a = 1.2 m, IP = 7.9 MA, BT = 7.5 T, βN Gr = 0.9, fBS = 0.52, q95 = 6.0, H98 ∼1.0, and Q = 4.0. The operating space is shown to be robust to parameter variations. A program is established for the FNSF to show how the missions for the facility are met, with a He/H, a DD and 5 DT phases. The facility requires ∼25 years to complete its DT operation, including 7.8 years of neutron production, and the remaining spent on inspections and maintenance. The DD phase is critical to establish the ultra-long plasma pulse lengths. The blanket testing strategy is examined, and shows that many sectors have penetrations for heating and current drive (H/CD), diagnostics, or Test Blanket Modules (TBMs). The hot cell is a critical facility element in order for the FNSF to perform its function of developing the in-service material and component database. The pre-FNSF R&D is laid out in terms of priority topics, with the FNSF phases driving the time-lines for R&D completion. A series of detailed technical assessments of the FNSF operating point are reported in this issue, showing the credibility of such a step, and more detailed emphasis on R&D items to pursue. These include nuclear analysis, thermo-mechanics and thermal-hydraulics, liquid metal thermal hydraulics, transient thermo-mechanics, tritium analysis, maintenance assessment, magnet specification and analysis, materials assessments, core and scrape-off layer (SOL)/divertor plasma examinations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

INSPIRED: Inelastic neutron scattering prediction for instantaneous results and experimental design

Inelastic neutron scattering (INS) has unique advantages in probing how atoms vibrate and how the vibrations propagate and interact. Such dynamic information is crucial in understanding various material properties, from heat capacity, thermal conductivity, phase transitions, and chemical reactions to more exotic quantum behavior. The analysis and interpretation of the INS spectra often start from a model structure of the sample, followed by a series of calculations to obtain the simulated spectra to compare with experiments. The conventional way to perform such calculations usually requires significant time, computing resources, and specialized expertise. Here, we present a new program named INSPIRED (Inelastic Neutron Scattering Prediction for Instantaneous Results and Experimental Design), which enables users to perform rapid INS simulations in several different ways on their personal computers in just a few clicks, with the crystal structure as the only input file. Specifically, the users can choose a pre-trained symmetry-aware neural network (coupled with an autoencoder) to predict the phonon density of states (DOS), 1D S(E) and 2D S(|Q|,E) spectra for any given structure. One can also choose an existing density functional theory (DFT) calculation from a database (containing over 12,000 crystals), and quickly obtain the simulated INS spectra for single crystals and powders. It is also possible to use pre-trained universal machine learning force fields to relax a given crystal structure, calculate the phonon dispersion and DOS, and, subsequently, the INS spectra. All these functions are implemented with a PyQt graphic user interface. Finally, we expect these new tools will benefit broad user communities and significantly improve the efficiency of experiment design, execution, and data analysis for INS.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Data-Driven Approach for Uncertainty Propagation and Reachability Analysis in Dynamical Systems

In this paper, we propose a data-driven approach for uncertainty propagation and reachability analysis in a dynamical system. The proposed approach relies on the linear lifting of a nonlinear system using linear Perron-Frobenius (P-F) and Koopman operators. Here, the uncertainty can be characterized in terms of the moments of a probability density function. We demonstrate how the P-F and Koopman operators are used for propagating the moments. Time-series data is used for the finite-dimensional approximation of the linear operators, thereby enabling data-driven approach for moment propagation. Simulation results are presented to demonstrate the effectiveness of the proposed method.

42 ENGINEERING↗

Direct Evidence for Excited Ligand Field State-based Oxidative Photoredox Chemistry of a Cobalt(III) Polypyridyl Photosensitizer

Increasing interest in sustainable chemistry coupled with the quest to explore new reactivity has spurred research on first-row transition metal complexes for potential applications in a variety of settings. One of the more active areas of research is photoredox catalysis, where the synthetically tunable nature of their electronic structures provides a rich palette of options for tailoring their reactivity to a desired chemical transformation. Understanding the mechanism of excited-state reactivity is critical for the informed development of next-generation catalysts, which in turn requires information concerning the propensity of their electronic excited states to engage in the desired electron or energy transfer processes. Herein we provide direct evidence of the highly oxidizing nature of the lowest-energy ligand-field (LF) excited state of a first-row d 6 -low-spin Co(III) photosensitizer [Co(4,4'-Br 2 bpy) 3 ] 3+ (where 4,4'-Br 2 bpy is 4,4'-dibromo-2,2'-bipyridine). The redox potential associated with the LF excited state of the Co(III) complex was bracketed by performing bimolecular quenching studies by using a series of simple organic electron donors. Time-resolved absorption spectroscopy confirmed a dynamic quenching process attributed to reductive quenching of the lowest-energy ligand-field excited state of the Co(III) chromophore. Analysis of the Stern–Volmer plots for each chromophore-quencher pair revealed a limiting value of E red * ~ 1.25 V vs Fc/Fc + for the metal-centered excited state, which is significantly stronger than that of more commonly employed transition metal-based photoredox agents such as [Ru(bpy) 3 ] 2+ (E red * = 0.32 V vs Fc/Fc + ) and [Ir(ppy) 2 (bpy)] + (E red * = 0.27 V vs Fc/Fc + ). Finally, these results suggest that this class of chromophores could find utility in applications requiring the activation of oxidatively resistant organic substrates for photoredox catalysis.

14 SOLAR ENERGY↗

Improvements to the Powder Processing of near-Final Shape alnico Magnets

Alnico permanent magnets (PMs), a recent PM system of interest as an attractive rare earth-free PM alternative, have advantageous high operating temperature and magnetic saturation with the potential for utilization in electric machines, e.g. interior-PM motors found in electric vehicles, if current directional solidification methods can be replaced by a true mass production approach. Recently, two unique alnico compositions, termed Full-Co and Co-lean, with improved coercivity, were gas atomized, compression molded, and vacuum sintered (4h at 1240°C) to high densities of 97.8% and 99.3%, respectively. However, the Co-lean remained fine grained isotropic magnets and the Full-Co grains were not textured, lowering magnetic strength in spite of attempts to grow large textured grains by a stress-biased solid state grain alignment method to convert them to high energy anisotropic magnets. It was hypothesized that oxidation during de-binding in air left many prior particle boundary oxides within the sintered microstructure that hindered grain growth and texturing during the stress-biased texturing procedure and prevented the desired abnormal grain growth (AGG). Here we explored a vacuum de-binding step that was linked (in-place) to vacuum sintering and found that the Co-lean exhibited faster uniform grain growth that doubled the average grain size (40 μm to 80 μm). Linked vacuum de-binding and sintering of Full-Co produced some AGG after only 1 h of 1240°C sintering. A new direction for promoting AGG (and stress-biased texturing) in alnico is being explored that utilizes a fundamental analysis of systems with second phase particles that either inhibit or boost grain growth. This effort explores the influence of vacuum de-binding linked to a series of lower sintering temperatures at a fixed time (4h) to see if oxide particle size and volume fraction can be changed to promote AGG conditions in alnico. Surprising qualitative results indicate that AGG may be promoted for vacuum sintering at less than 1200°C.

Rinko, Emily↗

Degradation mechanisms and partial shading of glass-backsheet and double-glass photovoltaic modules in three climate zones determined by remote monitoring of time-series current–voltage and power datastreams

Degradation and partial shading impact the long-term reliability and power production of photovoltaic (PV) modules and power plants. Time-series power (P mp ) and current–voltage (I-V) curve datastreams from PV modules enable a remote diagnostic approach to quantify active degradation mechanisms and identify partial shading. We study three to nine years of these datastreams, including 3.6 million P mp I-V curves and 36 million values, from eight PV modules, four each of double-glass and glass-backsheet module architectures, located in three distinctly different Köppen-Geiger climate zones, to determine the module’s performance loss rates (PLR), identify active degradation mechanisms and power loss modes, along with partial shading by local objects. Considering both module architectures, PLR results indicate that the BSh climate zone is the most aggressive for module degradation, while the Alpine ET zone is the mildest climate. PLR of double-glass modules located in BWh and BSh climate zones are different due to the significantly greater uniform current loss (ΔP Isc ) for double-glass modules in BSh, at a 5% significance level. Power loss for four out of five modules located in the BWh and BSh climates are dominated by uniform current degradation. Statistical analysis of multistep I-V curves detects partial shading experienced by three studied modules with details of the shading profile, the shading Poynting vector diagram for the obstacle’s relative position, shading scenarios, and duration. Lastly, this work demonstrates how remote monitoring and diagnosis of P mp & I-V time-series of modules can provide quantitative operations and maintenance insights into system performance, degradation mechanisms, and shading.

14 SOLAR ENERGY↗

Automated pipeline framework for processing of large-scale building energy time series data

Commercial buildings account for one third of the total electricity consumption in the United States and a significant amount of this energy is wasted. Therefore, there is a need for “virtual” energy audits, to identify energy inefficiencies and their associated savings opportunities using methods that can be non-intrusive and automated for application to large populations of buildings. Here we demonstrate virtual energy audits applied to large populations of buildings’ time-series smart-meter data using a systematic approach and a fully automated Building Energy Analytics (BEA) Pipeline that unifies, cleans, stores and analyzes building energy datasets in a non-relational data warehouse for efficient insights and results. This BEA pipeline is based on a custom compute job scheduler for a high performance computing cluster to enable parallel processing of Slurm jobs. Within the analytics pipeline, we introduced a data qualification tool that enhances data quality by fixing common errors, while also detecting abnormalities in a building’s daily operation using hierarchical clustering. We analyze the HVAC scheduling of a population of 816 buildings, using this analytics pipeline, as part of a cross-sectional study. With our approach, this sample of 816 buildings is improved in data quality and is efficiently analyzed in 34 minutes, which is 85 times faster than the time taken by a sequential processing. The analytical results for the HVAC operational hours of these buildings show that among 10 building use types, food sales buildings with 17.75 hours of daily HVAC cooling operation are decent targets for HVAC savings. Overall, this analytics pipeline enables the identification of statistically significant results from population based studies of large numbers of building energy time-series datasets with robust results. These types of BEA studies can explore numerous factors impacting building energy efficiency and virtual building energy audits. This approach enables a new generation of data-driven buildings energy analysis at scale.

36 MATERIALS SCIENCE↗

California - Quality-Controlled Reanalysis and Observational Data for Buoy (130), Morro Bay / Derived Data

This collection provides spatiotemporally paired reanalysis and satellite data to supplement the lidar buoy observations during the California deployments. Point time series of observed and reanalysis data are provided, using inverse distance weighting to geolocate the reanalysis data to the buoy location. Gridded time series of reanalysis data are provided, covering the California coast and extending into the Pacific Ocean. Satellite data in the coastal California region are also provided. The reanalysis collection includes the Modern-Era Retrospective Analysis for Research and Applications version 2 (MERRA-2), the Climate Forecast System version 2 (CFSv2), the North American Regional Reanalysis (NARR), the European Centre for Medium-Range Weather Forecasts Reanalysis version 5 (ERA5), and the analysis system of the Rapid Refresh (RAP). The satellite data collection is that of Ribal and Young (2019). All datasets are publicly available with the sources provided in the References section.

17 WIND ENERGY↗