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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 163 records · Page 9

Study of the Protection Improvements for a Weak Grid Area With High Inverter-Based Resources (IBRs)

This project designs enhanced protection scheme for the real-world weak grid area with a high penetration of IBRs. As the existing protection schemes are originally designed for traditional synchronous machines, we first evaluate if the protection scheme will continue to operate reliably in systems with high levels of IBRs. Hardware relays are tested using a controller-hardware-in-the-loop setup. PSCAD electromagnetic transient simulation with IBR original equipment manufacturer black-box models is used to perform fault studies and generate COMTRADE data, which are replayed by a real-time digital simulator (RTDS) to feed input to the hardware relays. Three scenarios are analyzed: normal operation, an N-1 contingency, and an IBR-only scenario. The evaluation results reveal the following: 1) the protection scheme remains reliable under normal conditions and N-1 contingencies and 2) in IBR-only scenarios, differential protection (87L) continues to operate reliably, whereas local protection elements, such as distance and directional elements, fail because of the lack of regulated negative sequence current contributed by IBRs. Enhanced protection is designed to address the challenge of lack of negative sequence current from IBRs, including increased restraining factors a2 and k2 to block 32Q or using V instead QV ORDER for ground faults, enhanced mho distance element with voltage and phase angle supervision for L-L faults. The efficacy of enhanced protection logic is validated and proven to work reliably. Additionally, IEEE Std. 2800-2022 negative sequence current compliant GFL and GFM IBRs from another vendor are tested and proven to work reliably without need for enhanced logic. Therefore, this work provides valuable decision-making for utilities facing protection system challenges due to IBRs, either designing enhanced protection scheme or requesting their IBRs being IEEE Std. 2800-2022 compliant to produce regulated negative sequence current for protection relay to make correct decision.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Identifying atmospheric rivers and their poleward latent heat transport with generalizable neural networks: ARCNNv1

Abstract. Atmospheric rivers (ARs) are extreme weather events that can alleviate drought or cause billions of US dollars in flood damage. By transporting significant amounts of latent energy towards the poles, they are crucial to maintaining the climate system's energy balance. Since there is no first-principle definition of an AR grounded in geophysical fluid mechanics, AR identification is currently performed by a multitude of expert-defined, threshold-based algorithms. The variety of AR detection algorithms has introduced uncertainty into the study of ARs, and the thresholds of the algorithms may not generalize to new climate datasets and resolutions. We train convolutional neural networks (CNNs) to detect ARs while representing this uncertainty; we name these models ARCNNs. To detect ARs without requiring new labeled data and labor-intensive AR detection campaigns, we present a semi-supervised learning framework based on image style transfer. This framework generalizes ARCNNs across climate datasets and input fields. Using idealized and realistic numerical models, together with observations, we assess the performance of the ARCNNs. We test the ARCNNs in an idealized simulation of a shallow-water fluid in which nearly all the tracer transport can be attributed to AR-like filamentary structures. In reanalysis and a high-resolution climate model, we use ARCNNs to calculate the contribution of ARs to meridional latent heat transport, and we demonstrate that this quantity varies considerably due to AR detection uncertainty.

54 ENVIRONMENTAL SCIENCES↗

Energy-relaxation pathways in finite-sized artificial square-ice structures

The energy-relaxation pathway in artificial spin ice structures refers to the series of individual moment reorientations the system undergoes as it relaxes from an initial state to a final low-energy state. The probability of the artificial spin ice structure reaching a ground state depends on the energy of the intermediate states as approximated by an Arrhenius-type relation. In this work, we report that by modifying the geometry of artificial square-ice structures, we can influence the probability of observing the ground state in different configurations. Furthermore, our findings are supported by dipolar energy calculations for various energy-relaxation pathways and the corresponding experimental data obtained by magnetic force microscopy.

Analog computation↗

Soil Desiccation Treatability Testing at BC Waste Disposal Cribs

During Hanford’s production period, low-level waste products generated from chemical processing of uranium fuel rods were discharged directly to the ground through a system of cribs and trenches located in the 200-BC-1 Operable Unit (OU). The site consists of 6 cribs and 20 trenches that received more than 117,000 m3 of radioactive liquid waste discharged to the soil. These unlined infiltration galleries held volumes of liquid waste while it seeped into the ground, with the understanding that the 100 m (330 ft) thick vadose zone in the area would effectively capture the effluent and prevent groundwater impacts. A conceptual model showing the operation of cribs and trenches is shown in Figure 1. Data show effluent from the 26 cribs and trenches containing about 410 curies of Technetium-99 (Tc-99) is primarily located between 30 m and 70 m (98 ft and 230 ft) depth (Corbin et al., 2005; Ward et al., 2004). Despite no evidence indicating that the contamination has reached the groundwater at BC cribs and trenches, the mobility of Tc-99 had been demonstrated in laboratory tests and was recognized as a threat to groundwater at the site. Using data from numerical models, laboratory analyses, field investigations, and information on historical discharges, the EPA and Ecology identified Tc-99 and U contamination of the vadose zone as a remediation priority. The U.S. DOE was notified by EPA and Ecology regarding risks associated with Tc-99 contamination in a letter requesting development of a strategy for improved methods to understand the nature and extent of vadose zone contamination, specifically Tc-99, and to develop remedial options for addressing such contamination. To develop the appropriate technology for characterizing, remediating, and monitoring the deep vadose zone Tc-99 contamination, the U.S. DOE worked with the EPA and Ecology to create a Treatability Test Plan under a Remedial Investigation/Feasibility Study (RI/FS) for the Hanford 200 Areas. Under this RI/FS, it was determined that a treatability test for soil desiccation should be carried out as it was identified as a promising in-situ treatment technology for mitigating risks posed by Tc-99 contamination to the groundwater table. The BC Cribs and Trenches site was identified as a representative site for Tc-99 and U contamination and selected for the soil desiccation treatability test. In this chapter, we summarize the overlying regulatory framework of RI/FS and treatability tests and illustrate how development and experimentation supported the evaluation of selected remedies. We briefly discuss the RI/FS for the 200 Areas of the Hanford Site and focus on the soil desiccation treatability testing performed at the BC cribs and trenches site under the Deep Vadose Zone Treatability Test Plan for the Hanford Central Plateau (DVZ-TT). The DVZ-TT is one component of the remedial investigation/feasibility study for the Hanford 200 Areas and represents the underlying regulatory framework that drives site operations towards records of decision and site closure.

Mangel, Adam R.↗

Electronic structure prediction of medium and high entropy alloys across composition space

We propose machine learning (ML) models to predict the electron density — the fundamental unknown of a material’s ground state — across the composition space of concentrated alloys. From this, other physical properties can be inferred, enabling accelerated exploration. A significant challenge is that the number of descriptors and sampled compositions required for accurate prediction grows rapidly with species. To address this, we employ Bayesian Active Learning (AL), which minimizes training data requirements by leveraging uncertainty quantification capabilities of Bayesian Neural Networks. Compared to the strategic tessellation of the composition space, Bayesian-AL reduces the number of training data points by a factor of 2.5 for ternary (SiGeSn) and 1.7 for quaternary (CrFeCoNi) systems. We also introduce easy-to-optimize, body-attached-frame descriptors, which respect physical symmetries while keeping descriptor-vector size nearly constant as alloy complexity increases. Our ML models demonstrate high accuracy and generalizability in predicting both electron density and energy across composition space.

materials science↗

Convection-Permitting Ensembles of an Isolated Mountain Thunderstorm during RELAMPAGO/CACTI

Abstract The north–south-oriented Sierras de Córdoba (SDC) ridge in central Argentina is noted for initiating thunderstorms that may grow into intense mesoscale convective systems (MCSs). It also initiates more isolated, shorter-lived cells under weaker synoptic forcing. These cells are less impactful than MCSs but may be difficult to predict in convective-scale numerical weather prediction (NWP) due to their strong sensitivities to subgrid and partially resolved processes. To study the mechanisms and predictability of such cells, convection-permitting ensemble simulations were conducted of an isolated, diurnally forced SDC thunderstorm during Cloud, Aerosol, and Complex Terrain Interactions (CACTI)/Remote Sensing of Electrification, Lightning, and Mesoscale/Microscale Processes with Adaptive Ground Observations (RELAMPAGO). The rich observational data facilitated detailed ensemble verification, where dry biases in the surface energy balance and soil moisture were identified. These biases promoted rapid removal of convective inhibition and an early onset of precipitating cells over the SDC that were shallower and weaker than the observed cell. Correction, and then overcorrection, of the soil moisture bias in two successive ensembles was required to rectify the surface energy balance and improve the representation of the SDC cell. Nevertheless, substantial ensemble variability in convective precipitation was found, with some members producing more widespread convection than observed and others producing no deep convection at all. This variability was largely explained by a combination of thermodynamic and dynamic mechanisms, dominated by a positive sensitivity of convective precipitation to preconvective moist instability over the ridge. Secondary sensitivities were found to low-level upward mass flux and midlevel cross-barrier winds, the latter of which caused gravity waves with elevated downdrafts that tended to suppress incipient clouds.

Lopez, Andres [Department of Atmospheric and Ocean↗

A Novel Segmentation Algorithm for the ARM User Facility All-Sky Imagers Using Machine Learning Applications

Cloud cover plays a pivotal role in modulating the Earth's energy budget through the reflection of incoming solar radiation and the trapping of outgoing longwave radiation. Ground-based all-sky imagers offer an objective assessment of cloud cover that can be used to estimate solar irradiance, classify cloud types, track cloud movement, and serve as a benchmark 10 for the evaluation of satellite and reanalysis data products. The Atmospheric Radiation Measurement (ARM) user facility has utilized all-sky imagers for more than 25 years to monitor cloud cover and augment its comprehensive suite of atmospheric measurements. Following the retirement of its Total Sky Imager (TSI), ARM recently deployed the TSI’s successor, the All Sky Imager (ASI-16 camera systems). To provide a smooth transition and continuity to the vast amount of knowledge gathered by the TSI over the years, while addressing typical deployment issues, we developed a novel pixel segmentation algorithm, 15 the ASI Sky Cover (ASISKYCOVER). ASISKYCOVER builds on the different strengths and properties of the TSI processing algorithm while integrating machine learning techniques, ensuring data validity and accuracy across diverse atmospheric conditions. It enhances cloud cover characterization with new features such as artifact detection and uncertainty quantification. ASISKYCOVER also includes cloud cover estimates for near-zenith (narrow field-of-view) and reduces susceptibility to false detections. This study introduces ASISKYCOVER, details its algorithm framework, and demonstrates its capabilities using a 20 year-long dataset from the ARM Southern Great Plains site. Comparisons with co-located TSI data and other ARM measurements, such as zenith-pointing radars and lidars, are presented, underscoring the ASISKYCOVER’s potential to improve cloud cover analyses and data evaluation efforts, as well as to be integrated into higher-level data products that synergize instrument suites to generate new and insightful information

Silber, Israel↗

HarDWR - Harmonized Water Rights Records

For a detailed description of the database of which this record is only one part, please see the HarDWR meta-record. Here we present a new dataset of western U.S. water rights records. This dataset provides consistent unique identifiers for each spatial unit of water management across the domain, unique identifiers for each water right record, and a consistent categorization scheme that puts each water right record into one of 7 broad use categories. These data were instrumental in conducting a study of the multi-sector dynamics of intersectoral water allocation changes through water markets (Grogan et al., in review). Specifically, the data were formatted for use as input to a process-based hydrologic model, WBM, with a water rights module (Grogan et al., in review). While this specific study motivated the development of the database presented here, U.S. west water management is a rich area of study (e.g., Anderson and Woosly, 2005; Tidwell, 2014; Null and Prudencio, 2016; Carney et al, 2021) so releasing this database publicly with documentation and usage notes will enable other researchers to do further work on water management in the U.S. west. The raw downloaded data for each state is described in Lisk et al. (in review), as well as here. The dataset is a series of various files organized by state sub-directories. The first two characters of each file name is the abbreviation for the state the in which the file contains data for. After the abbreviation is the text which describes the contents of the file. Here is each file type described in detail: XXFullHarmonizedRights.csv: A file of the combined groundwater and surface water records for each state. Essentially, this file is the merging of XXGroundwaterHarmonizedRights.csv and XXSurfaceWaterHarmonizedRights.csv by state. The column headers for each of this type of file are: state - The name of the state the data comes from. FIPS - The two-digit numeric state ID code. waterRightID - The unique identifying ID of the water right, the same identifier as its state uses. priorityDate - The priority date associated with the right. origWaterUse - The original stated water use(s) from the state. waterUse - The water use category under the unified use categories established here. source - Whether the right is for surface water or groundwater. basinNum - The alpha-numeric identifier of the WMA the record belongs to. CFS - The maximum flow of the allocation in cubic feet per second (ft3s-1). Arizona is unique among the states, as its surface and groundwater resources are managed with two different sets of boundaries. So, for Arizona, the basinNum column is missing and instead there are two columns: surBasinNum - The alpha-numeric identifier of the surface water WMA the record belongs to. grdBasinNum - The alpha-numeric identifier of the groundwater WMA the record belongs to. XXStatePOD.shp: A shapefile which identifies the location of the Points of Diversion for the state's water rights. It should be noted that not all water right records in XXFullHarmonizedRights.csv have coordinates, and therefore may be missing from this file. XXStatePOU.shp: A shapefile which contains the area(s) in which each water right is claimed to be used. Currently, only Idaho and Washington provided valid data to include within this file. XXGroundwaterHarmonizedRights.csv: A file which contains only harmonized groundwater rights collected from each state. See XXFullHarmonizedRights.csv for more details on how the data is formatted. XXSurfaceWaterHarmonizedRights.csv: A file which contains only harmonized surface water rights collected from each state. See XXFullHarmonizedRights.csv for more details on how the data is formatted. Additionally, one file, stateWMALabels.csv, is not stored within a sub-directory. While we have referred to the spatial boundaries that each state uses to manage its water resources as WMAs, this term is not shared across all states. This file lists the proper name for each boundary set, by state. For those whom may be interested in exploring our code more in depth, we are also making available an internal data file for convenience. The file is in .RData format and contains everything described above as well as some minor additional objects used within the code calculating the cumulative curves. For completeness, here is a detailed description of the various objects which can be found within the .RData file: states: A character vector containing the state names for those states in which data was collected for. More importantly, the index of the state name is also the index in which that state's data can be found in the various following list objects. For example, if California is the third index in this object, the data for California will also be in the third index for each accompanying list. rightsByState_ground: A list of data frames with the cleaned ground water rights collected from each state. This object holds the the data that is exported to created the xxGroundwaterHarmonizedRights.csv files. rightsByState_surface: A list of data frames with the cleaned surface water rights collected from each state. This object holds the the data that is exported to created the xxSurfaceWaterHarmonizedRights.csv files. fullRightsRecs: A list of the combined groundwater and surface water records for each state. This object holds the the data that is exported to created the xxFullHarmonizedRights.csv files. projProj: The spatial projection used for map creation in the beginning of the project. Specifically, the World Geodetic System (WGS84) as a coordinate reference system (CRS) string in PROJ.4 format. wmaStateLabel: The name and/or abbreviation for what each state legally calls their WMAs. h2oUseByState: A list of spatial polygon data frames which contain the area(s) in which each water right is claimed to be used. It should be noted that not all water right records have a listed area(s) of use in this object. Currently, only Idaho and Washington provided valid data to be included in this object. h2oDivByState: A list of spatial points data frames which identifies the location of the Point of Diversion for the state's water rights. It should be noted that not all water right records have a listed Point of Diversion in this object. spatialWMAByState: A list of spatial polygon data frames which contain the spatial WMA boundaries for each state. The only data contained within the table are identifiers for each polygon. It is worth reiterating that Arizona is the only state in which the surface and groundwater WMA boundaries are not the same. wmaIDByState: A list which contains the unique ID values of the WMAs for each state. plottingDim: A character vector used to inform mapping functions for internal map making. Each state is classified as either "tall" or "wide", to maximize space on a typical 8x11 page. The code related to the creation of this dataset can be viewed within HarDWR GitHub Repository/dataHarmonization.

Economics↗

Energy Technology Innovation Partnership Project Strategic Energy Plan for Washington County, Maine

This Strategic Energy Plan (SEP) for Washington County, Maine was developed through the U.S. Department of Energy's Energy Technology Innovation Partnership Project (ETIPP) to address local challenges related to electricity reliability, affordability, and safety. Grounded in a "relational infrastructure" approach, the plan recognizes that improved energy outcomes depend not only on physical grid investments but also on strengthened coordination and trust between utilities and communities. Using utility-provided reliability data, public datasets, and community input, the plan identifies key risks, including vegetation-related outages, high energy burden, and vulnerability among elderly and medically dependent populations. The SEP establishes three priority areas: hazard mitigation for energy infrastructure, outage safety and emergency readiness, and energy assistance and thermal safety. It outlines community-driven actions designed to complement utility-led system improvements, including targeted outreach, municipal coordination, and expanded access to energy programs. The plan also situates local conditions within broader state policy, market dynamics, and funding opportunities. Intended as a living document, this SEP provides a scalable framework for collaborative action to improve resilience, safety, and affordability in rural energy systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

time-resolved spectroscopy fit (trspecfit) v0.01

Analyze 2D time- and energy-resolved data, such as from a pump-probe spectroscopy experiment. User can select and input different peak shapes/ functions and background types to first fit a ground state/ unperturbed spectrum. This would be similar to how standard spectroscopy data is fit. Subsequently, to describe the time domain, users can choose functions that describe the temporal dynamics of one or more spectral features, such as a peak amplitude, peak position, etc. These time dynamics functions can be added or convoluted (e.g. describing an instrument response function) with each other. Functionality to integrate implicit variables leading to distributions of certain parameters/ functions is in development. Alternatively, 2D data can be analyzed one time step at a time to get an idea of the time dynamics of the system before deploying the global 2D fit described above. Typically people write custom software for this purpose. During my PhD I've seen five internal LBL and external researchers write one-off code in different languages to analyze time- and energy-resolved spectra. While this was specifically was for a laser pump - X-ray probe spectroscopy experiment, I'm trying to write a general package for the time-resolved spectroscopy community.

Mahl, Johannes [Lawrence Berkeley National Laborat↗

A new aerial approach for quantifying and attributing methane emissions: implementation and validation

Methane (CH 4 ) is a powerful greenhouse gas that is produced by a diverse set of natural and anthropogenic emission sources. Biogenic methane sources generally involve anaerobic decay processes such as those occurring in wetlands, melting permafrost, or the digestion of organic matter in the guts of ruminant animals. Thermogenic CH 4 sources originate from the breakdown of organic material at high temperatures and pressure within the Earth's crust, a process which also produces more complex trace hydrocarbons such as ethane (C 2 H 6 ). Here, we present the development and deployment of an uncrewed aerial system (UAS) that employs a fast (1 Hz) and sensitive (1–0.5 ppb s -1 ) CH 4 and C 2 H 6 sensor and ultrasonic anemometer. The UAS platform is a vertical-takeoff, hexarotor drone (DJI Matrice 600 Pro, M600P) capable of vertical profiling to 120 m altitude and plume sampling across scales up to 1 km. Simultaneous measurements of CH 4 and C 2 H 6 concentrations, vector winds, and positional data allow for source classification (biogenic versus thermogenic), differentiation, and emission rates without the need for modeling or a priori assumptions about winds, vertical mixing, or other environmental conditions. The system has been used for direct quantification of methane point sources, such as orphan wells, and distributed emitters, such as landfills and wastewater treatment facilities. With detectable source rates as low as 0.04 and up to ~1500 kg h -1 , this UAS offers a direct and repeatable method of horizontal and vertical profiling of emission plumes at scales that are complementary to regional aerial surveys and localized ground-based monitoring.

54 ENVIRONMENTAL SCIENCES↗

Predicting Large‐Scale Systematic Missing Pipe Attributes in Water Distribution Networks

Water distribution network (WDN) models are an essential tool used by water utilities for hydraulic analysis. Unfortunately, missing data and insufficient resources often make creating and maintaining these models unfeasible. Existing methods to address missing pipe properties, like sequential imputation for missing values and reconstruction using graph metrics, are designed to accommodate random patterns of missing information and require a significant percentage of the system's attributes to be known. However, these data completeness assumptions do not always align with real‐world scenarios where large sections of the WDN model have missing data. To address this challenge, this study proposes a data‐driven approach for estimating pipe diameter when considering different spatial patterns and degrees of data completeness (i.e., 0%–90%). Using data from 16 WDNs in Kentucky, this study compares the use of machine learning (ML) using topological and geospatial features against an existing deterministic approach. Results demonstrate that WDN models with pipe diameters predicted by the proposed ML method had comparable hydraulic performance to the ground truth models. Moreover, results showed that ML method performance varies between WDNs of differing topological classification. Insights from this study help advance the ability to leverage partial data to create and maintain WDN models amid uncertainty and inadequate resources.

Poff, Jason W. [Oregon State Univ., Corvallis, OR ↗

A comprehensive approach for elucidating the interplay between 4f n +1 and 4f n 5d 1 configurations in Ln 2+ complexes

Lanthanides (Ln) are typically found in the +3 oxidation state. However, in recent decades, their chemistry has been expanded to include the less stable +2 oxidation state across the entire series except promethium (Pm), facilitated by the coordination of ligands such as trimethylsilylcyclopentadienyl, C 5 H 4 SiMe 3 (Cp'). The [LnCp' 3 ] complexes have been the workhorse for the synthesis and theoretical study of the fundamental aspects of divalent lanthanide chemistry, where experimental and computational evidence have suggested the existence of different ground state (GS) configurations, 4f n+1 or 4f n 5d 1 , depending on the specific metal. Standard reduction potentials and 4f n+1 to 4f n 5d 1 promotion energies have been two factors usually considered to rationalize the occurrence of these variable GS configurations, however the driving force behind this phenomenon is still not clear. In this work we present a comprehensive theoretical approach to shed light on this matter using the [LnCp 3 ] - model systems. We begin by calculating 4f n+1 to 4f n 5d 1 promotion energies and successfully correlate them with existing experimental data. Furthermore, we analyze how changes in the GS charge distribution between the Ln ions, LnCp 3 and the reduced [LnCp 3 ] - complexes (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu) correlate with experimental trends in redox potentials and the calculated promotion energies. For this purpose, a comprehensive theoretical work that includes relativistic ligand field density functional theory (LFDFT) and relativistic ab initio wavefunction methods was performed. This study will help the rational design of suitable environments to tune the different GS configurations as well as modulating the spectroscopic properties of new Ln 2+ complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Solid-State Mixed-Potential Electrochemical Sensors for Natural Gas Leak Detection and Quality Control (Final Technical Report)

Mitigation of methane emissions are a critical factor to limiting the impact of the natural gas industry on global climate change. Throughout the period of 2020-2024, the University of New Mexico and its commercialization partner and subcontractor, SensorComm Technologies, Inc. (SCT), have worked together to develop a low-cost Artificial Intelligence (AI)-driven Internet of Things (IoT)-based multi-gas sensor platform for methane emissions detection. In the final year of the project, we extended this work to include hydrogen detection in support of a transition to a hydrogen economy where hydrogen could be transported through existing natural gas infrastructure. Mixed potential electrochemical sensors were first prototyped by ceramic additive manufacturing and then transitioned to conventional ceramic manufacturing tape casting and screen-printing technologies in preparation for mass production. Demonstrated limits of detection of 5 ppm of methane in natural gas and 1 ppm of hydrogen were measured. These limits of detection are among the lowest of solid-state electrochemical sensors that have been reported in the literature or available in the industry. Machine learning algorithms were developed to identify natural gas mixtures with > 98% accuracy level and quantify methane concentrations at 97% accuracy. The presence of hydrogen could also be identified, and its concentration quantified at these accuracy levels. These algorithms were optimized for running on portable computing hardware which enabled > 1 Hz processing rates. A portable packaged IoT system was integrated with the electrochemical sensor in collaboration with SCT. The package consists of readout electronics with < 1 mV resolution, sensor temperature control, and data transmission over cellular wireless and/or Wi-Fi networks. Field testing was performed in two rounds at Colorado State University’s Methane Emissions Technology Evaluation Center (CSU METEC). The first round of testing demonstrated successful measurements of methane from an underground natural gas leak of 20 standard liters per minute (SLPM), which agreed with previously published literature using more sophisticated and expensive analytical equipment. The second round of testing showed that an above ground leak of 2 SLPM of hydrogen could be detected at 32 ft. This project has resulted in six published peer reviewed journal articles, over ten presentations at professional conferences, and one full patent application filed in 2023. Future work on this project includes increased sensitivity, higher production yields, and applications in the hydrogen safety and flare emissions monitoring spaces.

03 NATURAL GAS↗

Data for Immediate Impacts of Soybean Cover Crop on Bacterial Community Composition and Diversity in Soil Under Long-Term Saccharum Monoculture

Saccharum yield decline results from long-term monoculture practices. Changes in cropping management can improve soil health and productivity. Below-ground bacterial community diversity and composition across soybean (Glycine max (L.) Merr) cover crop, Saccharum monoculture (30+ year) and fallowed soil were determined. Near full length (~1,400 base pairs) of 16S rRNA gene sequences were extracted from the rhizospheres of sugarcane and soybean and fallowed soil were compared. Higher soil bacterial diversity was observed in the soybean cover crop than sugarcane monoculture across all measured indices (observed operationational taxonomic units, Chao1, Shannon, reciprocal Simpson and Jackknife). Acidocateria, Proteobacteria, Bacteroidetes and Planctomycetes were the most abundant bacterial phyla across the treatments. Indicator species analysis identified nine indicator phyla. Planctomycetes, Armatimonadetes and candidate phylum FBP were associated with soybean; Proteobacteria and Firmicutes were linked with sugarcane and Gemmatimonadetes, Nitrospirae, Rokubacteria and unclassified bacteria were associated with fallowed soil. Non-metric multidimensional scaling analysis showed distinct groupings of bacterial operational taxonomic units (97% identity) according to management system (soybean, sugarcane or fallow) indicating compositional differences among treatments. This is confirmed by the results of the multi-response permutation procedures (A = 0.541, p = 0.00045716). No correlation between soil parameters and bacterial community structure was observed according to Mantel test (r = 211865, p = 0.14). Use of soybean cover-crop fostered bacterial diversity and altered community structure. This indicates cover crops could have a restorative effect and potentially promote sustainability in long-term Saccharum production systems.

Field Data↗

The Electronic Structure of Zirconium and Hafnium Monochalcogenides

High-level ab initio CCSD(T) and spin–orbit icMRCI+Q calculations were used to predict potential energy curves (PECs) for the lowest-lying states of ZrO, ZrS, HfO, and HfS. The prediction of the ground state is basis set dependent at the icMRCI+Q level for ZrO and ZrS due to the small singlet–triplet splitting between the lowest 1 Σ + and 3 Δ states. CCSD(T) with a spin orbit correction predicted the 1 Σ + ground state in agreement with experiment. New all-electron basis sets were developed for Hf to improve the results over those predicted by use of effective core potentials (ECPs) that subsume the 4f electrons into the definition of the core. The use of the new DK-4f basis sets rather than ECPs became more important for HfO and HfS where there is a lack of a good core–valence separation. icMRCI+Q, CCSD(T), and DFT calculations for the spectroscopic parameters of ZrO, ZrS, HfO, and HfS were benchmarked with available experimental data. Bond dissociation energies (BDEs) of these four systems were calculated at the Feller–Peterson–Dixon (FPD) level to be 762.1 (ZrO), 543.5 (ZrS), 803.8 (HfO), and 575.1 kJ/mol (HfS), in excellent agreement with experiment. The HfS BDE was remeasured using the R3PI method, providing an updated experimental measurement of D 0 (HfS) = 5.978 ± 0.002 eV = 576.8 ± 0.2 kJ/mol. This experimental value, combined with experimental measurements of the ionization energies of Hf and HfS, gives the cationic BDE of D 0 (Hf + -S) = 5.124 ± 0.002 eV = 494.4 ± 0.2 kJ/mol.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Identifying Vehicle Signals in Continuous Seismic Data Using Unsupervised Machine-Learning Techniques

Seismic sensors deployed near roadways effectively capture ground vibrations generated by passing vehicles. Although both traditional and machine‐learning algorithms have been utilized for analyzing such signals, independent validation of detected vehicle events remains limited. We applied two unsupervised machine‐learning algorithms, uniform manifold approximation and projection for dimension reduction, and hierarchical density‐based spatial clustering of applications with noise, to continuous seismic data collected along a road on the main campus of Oak Ridge National Laboratory. The algorithms identified seven distinct cluster labels across the entire dataset. By comparing these cluster labels with precipitation records from a nearby weather station and image‐derived labels from a local camera system, we identified one cluster associated with rainfall and another with vehicle activity. Our algorithms identified a greater number of vehicle‐related labels compared to the camera‐derived labels because seismic data are unaffected by poor lighting conditions. The arrival times of the newly detected vehicle signals corresponded well with the road’s speed limit, supporting our findings. Our algorithm outperformed the short‐term average/long‐term average method and k‐means clustering. Our results suggest that seismic data, when analyzed with machine‐learning algorithms, can complement existing vehicle monitoring systems, particularly under challenging environmental conditions.

Chai, Chengping [Oak Ridge National Laboratory (OR↗

Floating photovoltaic power plants: A review of energy yield, reliability, and operation and maintenance

Photovoltaic (PV) systems are essential for the transition to sustainable energy, reducing fossil fuel dependence and mitigating climate change. Although PV requires minimal land area — PV can meet the European Union's energy needs using only 0.26% of its land — space for deployment is often scarce in densely populated regions. Floating photovoltaics (FPV) offer an effective solution to land-use challenges by installing PV systems on floating structures in water bodies. FPV is a growing niche within PV with a cumulative installed capacity reaching 7.7 GW globally by 2023. Almost 90% of the installed FPV capacity is in Asia, with close to 50% of in China alone, while the Netherlands and France are the largest markets outside Asia. FPV shows strong potential to support climate targets, but still faces challenges like regulatory barriers, cost competitiveness compared to ground-based PV (GPV), and uncertainties about environmental impacts and system reliability. FPV systems are currently installed mainly on sheltered inland waters, such as quarry lakes, irrigation ponds and reservoirs. FPV technical standards are still being developed. Guidelines have been published by the World Bank, DNV, and Solar Power Europe, and emerging national standards from South Korea, China, and Singapore address design, components, and safety. The International Electrotechnical Commission (IEC) is working on formal standards for floats, mooring systems, and electrical connectors. However, the published best practices lack quantitative guidance for yield modelling and reliability, which this report aims to address. It provides data-driven insights, models, and parameters essential for accurate energy yield, reliability, and maintenance predictions over FPV systems' lifetimes.

14 SOLAR ENERGY↗