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At least 505 records · Page 28

A Public Data Set of Auto-Generated Geotagged PV Site Equipment, Generated via Deep Learning

In this research, we present a data set over 100 photovoltaic (PV) sites in TX, which have been automatically geotagged via a fully autonomous deep learning (DL) pipeline. Specifically, locations of inverters, tracker/fixed tilt rows, batteries, and substations are labeled algorithmically. To ensure high data quality, all systems have been reviewed manually and any deep learning errors have been corrected. This public data set, as well as the open-sourced pipeline used to generate it, is valuable for site planning, modelling, and insurance purposes. Given time and resources, we hope to extend the data set to additional states/regions in the US.

14 SOLAR ENERGY↗

Visual Systems Mapping to Define and Compare Woody Biomass LCAs for Sustainable Systems

The challenge addressed in this research centres on the need to choose between several biomass sources and energy production processes, while supporting rural economies and resilience of forest systems. A key barrier to effective decision-making for strategies using biomass is the lack of standardized and transparent life cycle assessment (LCA) baselines. These baselines are critical for assessing the impacts of biomass strategies but often vary due to regional factors and chosen simplifying assumptions of the LCAs. However, omitting key variables can mean the LCA omits key feedback and balancing loops relevant to fully assessing impacts of the change or test scenario. To address these complexities, this project employs a systems engineering approach: visual systems mapping. This technique is used to define the boundaries and dynamic behaviours of LCA baselines, enhancing transparency. By examining five literature sources and their documented baseline scenarios, the systems mapping case-studies demonstrates an approach to documenting and archiving these baselines. Recommendations are that visual systems mapping should be used to document key assumptions, such as baselines, of LCAs. Further, where possible open data repositories should hold key information about LCA baselines and reproducible workflows (e.g., using open-source tools) should be used to improve transparency and comparability in LCAs. Given the consensus within the broader scientific community on the importance of replicable data practices, this research reinforces the need for standardized frameworks and systems engineering tools in LCAs. This research demonstrates a pathway to more transparent, standardized, and comparable LCAs, that may bolster decisions for biomass systems.

Davis, Maggie [ORNL] (ORCID:0000000181319328)↗

A review of preserving privacy in data collected from buildings with differential privacy

Significant amounts of data are collected in buildings. While these data have great potential for maximizing the energy efficiency of buildings in general, only a small portion of the data are accessible to researchers, government, and industry for analyses. Concerns about privacy are one of the major barriers prohibiting access to these data. Privacy preservation techniques are generally applied to this problem not only to preserve underlying privacy but also to improve the usefulness of data. Among various privacy preserving techniques, differential privacy has become one of the more popular solutions since its introduction in 2006. Differential privacy is a mathematical measure for protecting privacy so that one's privacy cannot be incurred by participating in a database. Additionally, although significant research improvements have been made for more than a decade, applying differential privacy to data collected in buildings is still an immature field of study. Because implementing differential privacy on a certain use case is not straightforward and can be achieved with various configurations, it is important to understand variation of configurations with different use cases around data collected from buildings. This literature review aims to introduce what has been done to implement differential privacy in data collected in buildings, and to discuss associated challenges and potential future research opportunities.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Final report- UFL - RAPIDS2: A SciDAC Institute for Computer Science, Data, and Artificial Intelligence

The research initiatives supported by the U.S. Department of Energy (DOE) Grant DE-SC0022265 are fundamentally aimed at pioneering advanced machine learning (ML) techniques for scientific data compression within high-performance computing (HPC) environments. This comprehensive body of work addresses the critical challenge posed by the exponential growth of data generated by scientific simulations in domains such as fusion energy, climate modeling, and computational fluid dynamics (CFD). A core objective is to develop compression algorithms that achieve substantial data reduction—often by orders of magnitude—while rigorously ensuring the fidelity of both the primary data (PD) and scientifically crucial derived quantities of interest (QoI). The methodologies deployed under this grant integrate sophisticated deep learning architectures, prominently featuring autoencoders, advanced generative models like conditional diffusion, and hybrid learning techniques. Key innovations include the development of Guaranteed Autoencoders (GAE) and the Guaranteed Conditional Diffusion with Tensor Correction (GCDTC) framework, which provide explicit, instance-level error bounds on reconstructed data. Furthermore, specialized strategies such as nonlinear constraint satisfaction are employed to preserve the integrity of QoI, a vital requirement for the trustworthiness of downstream scientific analyses. This research also focuses on the design and implementation of scalable, GPU-accelerated software pipelines that seamlessly integrate into existing HPC workflows, ensuring both computational efficiency and practical applicability. The CAESAR framework, for example, unifies foundation and generative models to create an adaptive and efficient compression solution for spatio-temporal scientific data. Collectively, these efforts represent a significant advancement in mitigating the scientific data deluge, enabling more effective data management, accelerated scientific discovery, and optimized utilization of HPC resources.

97 MATHEMATICS AND COMPUTING↗

Suggestions on the Vapor Pressure Determination of Molten Salts

The knowledge of the thermophysical properties of coolant and fuel in molten salts nuclear reactors (MSRs), such as thermal stability and vapor pressure, are of remarkable interest, particularly for simulating safe reactor operations. Molten salt reactorsMSRs use molten salt mixtures as the primary coolant and/or fuel and are expected to operate up to 800 °C. With the revival of interest in deploying MSRs, complete thermophysical and thermochemical characterization of these materials is of interest to industry, regulators, and researchers. Vapor pressure data for molten salts are scarce in the literature, both for pure salts but especially for eutectic mixtures. This report describes the effusion method, which consist of measuring the rate of escape of vapor molecules through a small orifice for the determination of the vapor pressure of compounds and may be useful on compounds such as molten salts. Thermogravimetric analysis records the mass loss as a function of time and temperature. There are two equations that can be used to relate the mass loss rate with the vapor pressure: (1) the Knudsen equation and (2) the Langmuir equation. To apply these equations, the system needs to reach a pseudo (or near) equilibrium condition. Therefore, the experimental conditions must be such that allow the condensed and the vapor/gas phases to be in equilibrium. In order to accomplish equilibrium like conditions, the sample must be in an almost-sealed cell except for a small orifice, from where the vapor escapes. In the Knudsen method vacuum is applied to eliminate the effect that the presence of other gas molecules could have on the evaporation rate of the sample. However, Langmuir alleged that in certain conditions, such as at low temperatures and/or when the vapor pressure is low, the rate of evaporation of a substance is independent of the presence of vapor around it. For that reason, some researchers, when measuring the mass loss of a substance with a predictable low vapor pressure, do not apply vacuum when using the Langmuir equation. However, they use a standard substance to parameterize the experimental setup. The use of one equation or the other will depend on the characteristics of the sample and the availability of an appropriate standard. Some important aspects related to the nature of the samples and vapor pressure measurements are described for future consideration.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

TEA Modeling to Quantify Economic Implications for Biorefinery Processing of Isolated Anatomical Fractions of Corn Stover

The Feedstock-Conversion Interface Consortium (FCIC; https://www.energy.gov/sites/prod/files/2020/01/f70/beto-fcic-overview-web.pdf), a collaboration of nine national laboratory partners, seeks to understand impacts of feedstock attributes on biorefinery performance. It is hypothesized that different individual anatomical fractions of corn stover vary in composition and recalcitrance, such that processing each fraction on its own through dedicated campaigns may enable better biorefinery economics overall relative to processing the whole stover material. This presentation focuses on techno-economic analysis (TEA) modeling to quantify the yield and cost ramifications for processing isolated anatomical fractions of corn stover through a low-temperature conversion biorefinery, reflecting a biochemical processing pathway consisting of biomass deconstruction through pretreatment and enzymatic hydrolysis, sugar fermentation and upgrading to hydrocarbon fuels, and lignin upgrading to value-added coproducts. Commercial-scale process simulation and economic evaluation leveraged experimental and analytical data from FCIC researchers for conversion of whole corn stover plus three individual anatomical fractions (cobs, husks, and stalks) across key steps of the conversion process. Our assessment found encouraging potential for biorefinery economic gains that may be achieved through this approach. TEA results indicated fuel yields varying from 29-44 gallons gasoline equivalent (GGE)/dry ton for the individual anatomical fractions compared to whole stover at 34 GGE/ton, equating to minimum fuel selling prices (MFSPs) between $6.37-$10.18/GGE for the fractions versus $8.76/GGE for whole stover (when lignin is burned), or $9.15-$15.19/GGE for the fractions versus $13.11/GGE for whole stover (when lignin is upgraded to coproducts, based on current experimental performance levels). Cobs and husks demonstrated the ability to achieve the highest fuel yields and lowest MFSPs, outperforming whole stover, while stalks led to the opposite result, as a composite reflection of compositional differences and process convertibility. Notably, even when taking the weighted average of the results reflecting each anatomical fraction weighted by its corresponding makeup of corn stover, this feasibility TEA screening supports feedstock cost allowances on the order of roughly $22-$29/ton as may reflect accommodating additional biomass fractionation equipment during feedstock pre-processing upstream of the conversion biorefinery gate to separate corn stover into such constituent fractions. Or viewed differently, the weighted average MFSP for the fractions was found to be $0.31-$0.32/GGE lower than the MFSP for the whole stover basis across either lignin scenario, when maintaining a fixed biomass feedstock cost. These findings highlight favorable implications for biorefinery economics as may be achieved by moving to a staged campaign approach for processing different corn stover fractions sequentially. Further opportunities exist for future work to fill in data gaps for remaining anatomical constituents (e.g. leaves) that were not included in the initial experimental studies, though are expected to maintain similar trends.

biochemical processing pathway↗

Data Analytics for Residential PV from Permit to Interconnect (Final Technical Report)

The main objective of this research is to provide novel insights into the effects of permitting, inspection, and interconnection (PII) processes on PV system installations—and in particular, into the relationship between PII processes and adoption timelines. This research can then be used to clarify the potential effect of various process changes on reducing PII timelines, customer cancellation rates, and related costs nationwide. NREL completed this research by assembling a data set of distributed, largely residential rooftop solar systems less than 50 kilowatts in size from participating solar installers. NREL produced five publications describing the effects that PII processes can have on adoption timelines nationwide, in addition to publishing an interactive data viewer with five years of PII cycle time data. This tool can be used by stakeholders to identify potential adoption timelines by local government.

14 SOLAR ENERGY↗

Finding, Organizing, and Preserving Legacy Nuclear Test Monitoring Data—Examples from the Livermore Nevada Network

A challenge for geophysical research is the relatively short time for which continuous digital data have been available. There are many events of research interest where much of the data were collected by analog or temporary digital means. These legacy data require special efforts to find, organize, and preserve for future research. Here, we focus on one type of legacy data, nuclear explosions, and associated events (e.g., collapses, aftershocks) of high interest for nuclear monitoring research and development. For nuclear tests conducted in Nevada, the Lawrence Livermore Nevada Network recorded valuable data on a variety of formats. In this article, we briefly review this network, and describe one set of data that previously was available via CD-ROM by request, and since 2018 has become available through Incorporated Research Institutions for Seismology as assembled dataset 18-001.

58 GEOSCIENCES↗

Machine learning for polymeric materials: an introduction

We report that Polymers are incredibly versatile materials and have become ubiquitous. Increasingly, researchers are using data science and polymer informatics to design new materials and understand their structure-property relationships. Polymer informatics is an emerging field. While there are many useful tools and databases available, many are not widely utilized. Herein, we introduce the field of polymer informatics and discuss some of the available databases and tools. We cover how to share polymer data, approaches for preparing a dataset for machine learning and recent applications of machine learning to polymer property prediction and polymer synthesis.

36 MATERIALS SCIENCE↗

Machine-Learning Accelerated Studies of Materials with High Performance and Edge Computing

In the studies of materials, experimental measurements often serve as the reference to verify physics theory and modeling; while theory and modeling provide a fundamental understanding of the physics and principles behind. However, the interactions and cross validation between them have long been a challenge even to-date. Not only that inferring a physics model from experimental data is itself a difficult inverse problem, another major challenge is the orders-of-magnitude longer wall-clock time required to carry out high-fidelity computer modeling to match the timescale of experiments. We envisage that by combining high performance computing, data science, and edge computing technology, the current predicament can be alleviated, and a new paradigm of data-driven physics research will open up. For example, we can accelerate computer simulations by first performing the large-scale modeling on high performance computers and train a machine-learned surrogate model. This computationally inexpensive surrogate model can then be transferred to the computing units residing closely to the experimental facilities to perform high-fidelity simulations at a much higher throughout. The model will also be more amenable to analyzing and validating experimental observations in comparable time scales at a much lower computational cost. Further integration of these accelerated computer simulations with an outer machine learning loop can also inform and direct future experiments, while making the inverse problem of physics model inference more tractable. We will demonstrate a proof-of-concept by using a quantum Monte Carlo application, Dynamical Cluster Approximation (DCA++), to machine-learn a surrogate model and accelerate the study of quantum correlated materials.

Li, Ying Wai↗

The future low-temperature geochemical data-scape as envisioned by the U.S. geochemical community

Data sharing benefits the researcher, the scientific community, and the public by allowing the impact of data to be generalized beyond one project and by making science more transparent. However, many scientific communities have not developed protocols or standards for publishing, citing, and versioning datasets. One community that lags in data management is that of low-temperature geochemistry (LTG). This paper resulted from an initiative from 2018 through 2020 to convene LTG and data scientists in the U.S. to strategize future management of LTG data. Through webinars, a workshop, a preprint, a townhall, and a community survey, the group of U.S. scientists discussed the landscape of data management for LTG – the data-scape. Currently this data-scape includes a “street bazaar” of data repositories. This was deemed appropriate in the same way that LTG scientists publish articles in many journals. The variety of data repositories and journals reflect that LTG scientists target many different scientific questions, produce data with extremely different structures and volumes, and utilize copious and complex metadata. Nonetheless, the group agreed that publication of LTG science must be accompanied by sharing of data in publicly accessible repositories, and, for sample-based data, registration of samples with globally unique persistent identifiers. LTG scientists should use certified data repositories that are either highly structured databases designed for specialized types of data, or unstructured generalized data systems. Recognizing the need for tools to enable search and cross-referencing across the proliferating data repositories, the group proposed that the overall data informatics paradigm in LTG should shift from “build data repository, data will come” to “publish data online, cybertools will find”. Funding agencies could also provide portals for LTG scientists to register funded projects and datasets, and forge approaches that cross national boundaries. Finally, the needed transformation of the LTG data culture requires emphasis in student education on science and management of data.

58 GEOSCIENCES↗

Unsupervised learning from three-component accelerometer data to monitor the spatiotemporal evolution of meso-scale hydraulic fractures

Enhanced geothermal systems can provide a substantial share of the global energy demand. There exist several hurdles in the engineering implementations of such geothermal systems. One such hurdle is the accurate monitoring of the fracture networks created in subsurface through hydraulic stimulation of these systems. Micro seismicity associated with the stimulation is the primary means to locate the event hypocenters for estimating the stimulated rock volume. Existing methods for location the hypocenters are restricted to only the highest amplitude impulsive signals that are simultaneously detected on several sensors. Consequently, a large portion (usually ~99%) of the measurements are left unused. In this paper, an unsupervised manifold-approximation followed by clustering of 3-component accelerometer data is used to analyze the seismicity recorded on a monitoring well. With this method, a larger portion of the measured signal is used for the monitoring of the hydraulic fracture network. We analyze the EGS Collab experiment 1 microseismic data, recorded at the Sanford Underground Research Facility, South Dakota. Using the data from a single three-component accelerometer, the polarization features viz. Azimuth, incidence, rectilinearity, and planarity are used as inputs for the unsupervised manifold approximation followed by clustering. Our study shows that density-based clusters in the projected 3D space correspond to distinct types of hydraulically fractured zones around the injection point. Finally, we show that the temporal evolution of these clusters can be used to track fracture creation and propagation.

58 GEOSCIENCES↗

Designing resilient decentralized energy systems: The importance of modeling extreme events and long-duration power outages

Mitigating and adapting to climate change requires decarbonizing electricity while ensuring resilience of supply, since a warming planet will lead to greater extremes in weather and, plausibly, in power outages. Although it is well known that long-duration outages severely impact economies, such outages are usually not well characterized or modeled in grid infrastructure planning tools. Here, we bring together data and modeling techniques and show how they can be used to characterize and model long-duration outages. We illustrate how to integrate outages in planning tools for one promising mode of resilient energy supply—microgrids. Failing to treat these extremes in models can lead to microgrid designs (1) that do not realize their full value of resilience, since models do not see the benefits of protecting against extremes, and (2) that appear reliable on paper yet do not actually protect against extremes. Although utilities record power interruptions, lack of access to that data is hindering research on resilience; making datasets available publicly would substantially aid efforts to improve grid planning tools.

24 POWER TRANSMISSION AND DISTRIBUTION↗

What can data science tell us about finding new superconductors?

Can data science guide researchers toward understanding superconductivity or discover new superconductors? We examine this question in light of a study in this issue of Patterns by Liu et al., who find that the superconducting transition temperature and certain computed energy intervals of the valence band are correlated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Compounding effects of Lake and urbanization on summer precipitation in the Greater Chicago area

Here, this study explores the impacts of Lake Michigan and Chicago's urbanization on precipitation patterns over the Greater Chicago Area, using 22 years of observational data and Weather Research and Forecasting (WRF) model simulations focused on an early summer rain event. Observational analysis reveals that urban areas consistently experience more precipitation than the adjacent southern Lake Michigan region throughout the year, particularly before 2015. However, this disparity has narrowed since 2016 due to a more rapid increase in heavy precipitation over the lake compared to urban areas. Specifically, lake precipitation has risen by 25 mm per year, compared to 15 mm per year over urban areas. Additionally, the number of days with precipitation exceeding 5 mm per day has been rising at a rate of 1.34 days per year over the lake and 0.84 days per year over urban areas. Modeling experiments reveal that both urbanization and lake effects, including lake breezes, enhance precipitation over urban areas, primarily through convergence induced by interactions between land and lake breezes. In contrast, these same factors suppress precipitation over the lake. The suppression results from Lake Michigan's stable environment, characterized by cooler surface temperatures, limited evaporation in early summer, and a high-pressure anomaly over the lake driven by urban heating, which creates upward motion over urban areas and downward motion over the lake, further influencing precipitation patterns.

Coastal urban↗

Leveraging generative adversarial networks to create realistic scanning transmission electron microscopy images

Abstract The rise of automation and machine learning (ML) in electron microscopy has the potential to revolutionize materials research through autonomous data collection and processing. A significant challenge lies in developing ML models that rapidly generalize to large data sets under varying experimental conditions. We address this by employing a cycle generative adversarial network (CycleGAN) with a reciprocal space discriminator, which augments simulated data with realistic spatial frequency information. This allows the CycleGAN to generate images nearly indistinguishable from real data and provide labels for ML applications. We showcase our approach by training a fully convolutional network (FCN) to identify single atom defects in a 4.5 million atom data set, collected using automated acquisition in an aberration-corrected scanning transmission electron microscope (STEM). Our method produces adaptable FCNs that can adjust to dynamically changing experimental variables with minimal intervention, marking a crucial step towards fully autonomous harnessing of microscopy big data.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

A universal language for finding mass spectrometry data patterns

Despite being information rich, the vast majority of untargeted mass spectrometry data are underutilized; most analytes are not used for downstream interpretation or reanalysis after publication. The inability to dive into these rich raw mass spectrometry datasets is due to the limited flexibility and scalability of existing software tools. Here, in this study, we introduce a new language, the Mass Spectrometry Query Language (MassQL), and an accompanying software ecosystem that addresses these issues by enabling the community to directly query mass spectrometry data with an expressive set of user-defined mass spectrometry patterns. Illustrated by real-world examples, MassQL provides a data-driven definition of chemical diversity by enabling the reanalysis of all public untargeted metabolomics data, empowering scientists across many disciplines to make new discoveries. MassQL has been widely implemented in multiple open-source and commercial mass spectrometry analysis tools, which enhances the ability, interoperability and reproducibility of mining of mass spectrometry data for the research community.

Damiani, Tito [Czech Academy of Sciences (CAS), Pr↗

CAMELSH: A Large-Sample Hourly Hydrometeorological Dataset and Attributes at Watershed-Scale for CONUS

We present CAMELSH (Catchment Attributes and Hourly HydroMeteorology for Large-Sample Studies), the first large-sample hydrometeorological dataset at the hourly scale for the contiguous United States. CAMELSH intergrates hourly meteorological time series, catchment attributes and boundaries from GAGES-II and HydroATLAS for 9,008 catchments across diverse climatic, hydrological, and anthropogenic conditions. In addition, hourly streamflow time series is provided for 3,166 catchments. The dataset spans 45 years (1980–2024) with 11 meteorological variables from the NLDAS-2 forcing dataset, from which we compute nine climate indices related to precipitation, evapotranspiration, seasonality, and snow fraction. Additionally, CAMELSH includes two sets of catchment attributes: 439 from GAGES-II and 195 derived from HydroATLAS. These attributes include factors related to climate, geology, hydrology, river/stream morphology, landscape, nutrient, soil, topography, and anthropogenic influences. Developed in accordance with FAIR (Findability, Accessibility, Interoperability, and Reusability) principles, CAMELSH is the first large-sample dataset at an hourly timescale, supporting machine learning applications for short-term streamflow (flood) prediction and advancing data-driven hydrological research across multiple timescales.

54 ENVIRONMENTAL SCIENCES↗