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At least 325 records · Page 18

Mic-hackathon 2024: hackathon on machine learning for electron and scanning probe microscopy

Microscopy is one of the primary sources of information on materials structure and functionality at the nanometer and atomic scales. The data generated through microscopy is often contained in well-structured datasets, enriched with extensive metadata and sample histories, although not always with the same level of detail or storage format. The broad incorporation of data management plans by major funding agencies ensures the preservation and accessibility of this data. However, deriving insights from these rich datasets remains challenging due to the lack of established code ecosystems, standardized benchmarks, and integration strategies. Correspondingly, the efficiency of data usage is very low, and time expenditures at the analysis stage are enormous. In addition to post-acquisition data analysis, the emergence of application programming interfaces by major microscope manufacturers now creates opportunities for real-time ML-based data analytics to enable automated decision making, and particularly ML-agent controlled real-time microscope operation. Despite these opportunities, there is a significant gap in integrating the ML community with the broader microscopy community, limiting the value that these methods bring to physics and materials discovery and materials optimization. Hackathons address these challenges by fostering collaboration between ML experts and microscopy professionals, encouraging the development of innovative solutions that leverage ML for microscopy and preparing the workforce of the future both for microscopy-intensive domains areas, instrument manufacturers, and ML scientists interested in real world applications for fundamental research, materials optimization, and manufacturing. The hackathon generated benchmark datasets and digital twins of microscopes that further contribute to the development of the field and establish data analysis ecosystems. All the codes can be found at GitHub(https://github.com/KalininGroup/Mic-hackathon-2024-codes-publication/tree/1.0.0.1) and Zenodo (https://zenodo.org/records/15579940).

97 MATHEMATICS AND COMPUTING↗

Evaluation Analysis of NASA SMAP L3 and L4 and SPoRT-LIS Soil Moisture Data in the United States

Soil moisture has a critical role in the development, frequency and persistence of climatic and hydrologic extremes such as drought, heat wave and flooding events. In situ soil moisture data are uneven and sparse in time and space. This highlights the need to utilize other soil moisture sources to fill this spatiotemporal gap. The goal of this study is to validate one satellite-based and two model-based soil moisture datasets with in situ data across the United States. Soil moisture information from the Soil Moisture Active Passive (SMAP) enhanced level 3 (L3) (SMAP L3) and modeled level 4 (L4) (SMAP L4) data at 9-km resolution and Short-term Prediction Research and Transition-Land Information System (SPoRT-LIS) modeled at 3-km resolution were selected for evaluation. SPoRT-LIS is a near real-time, high resolution operational land analysis data. Ground-based data were obtained from the North American Soil Moisture Database (NASMD) for 362 stations. Seven statistical indicators including anomaly, Spearman, and Pearson correlation coefficients, the systematic error (Bias), root mean square error (RMSE), unbiased root mean square error (ubRMSE), and normalized standard deviation (SDV) were used to evaluate the satellite- and model-derived soil moisture data. In addition, the triple collocation (TC) error model was used to measure the error among SMAP L4, SPoRT-LIS and ground-based data. This study assesses which satellite or modeled dataset is most appropriate for specific times and locations to use as a surrogate for in situ observations. Temporal and spatial analysis demonstrated that, overall, SMAP L4 performed better than SMAP L3 and SPoRT-LIS. Strong agreement was observed between SMAP L4 and in situ observations (ρ = 0.53, Bias = −0.006) in all seasons and most regions with various land covers, especially in winter and in the central regions of the United States. For croplands, SMAP L4 presented the best agreement with in situ data, analyzing all period (ρ = 0.60) and non-winter period (ρ = 0.61) separately.

Tavakol, Ameneh↗

Excited-state uncertainties in lattice-QCD calculations of multi-hadron systems

Excited-state effects lead to hard-to-quantify systematic uncertainties in lattice quantum chromodynamics (LQCD) spectroscopy calculations when computationally accessible imaginary times are smaller than inverse excitation gaps, as often arises for multi-hadron systems with signal-to-noise problems. Lanczos residual bounds address this by providing two-sided constraints on energies that do not require assumptions beyond Hermiticity, but often give very conservative systematic uncertainty estimates. Here, a more-constraining set of gap bounds is introduced for hadron spectroscopy. These bounds provide tighter constraints whose validity requires an explicit assumption about an energy gap. Exactly solvable lattice field theory correlators are used to test the utility of residual and gap bounds at finite and infinite statistics. Two-sided bounds and other analysis methods are then applied to a high-statistics LQCD calculation of nucleon-nucleon scattering at $m_π\sim 800$ MeV. Generalized eigenvalue problem (GEVP) and Lanczos energy estimators are compatible when applied to the same correlator data, but analyses including different interpolating operators show statistically significant inconsistencies. However, two-sided bounds from all operators are consistent. Under the assumption that the number of energy levels below $NΔ$ and $ΔΔ$ thresholds is the same as for non-interacting nucleons, gap bounds are sufficient to constrain nucleon-nucleon scattering amplitudes at phenomenologically relevant precision. Lanczos methods further reveal that energy-eigenstate estimates from previously studied asymmetric correlators have not converged over accessible imaginary times. Nevertheless, data-driven examples demonstrate why assumptions are required to draw conclusions about the natures of two-nucleon ground states at these masses.

Detmold, William [MIT, Cambridge, CTP]↗

DER Digital Supply Chain Gap Analysis

Solar photovoltaic (PV) cybersecurity is a growing field of research. As deployments of solar PV have increased, cyber risk has also increased. Utility solar PV installations, however, are not required to comply with the North American Electric Reliability Corporation (NERC) Critical Infrastructure Protection (CIP) plan unless they meet a minimum generation threshold of 75 MW. Individual residential-scale solar PV deployments will not meet that generation threshold and are therefore excluded from the NERC CIP requirements. With most solar installations less than 75 MW, solar PV has been deployed with minimal oversight and highly variable cybersecurity maturity. The resources that comprise the digital supply chain can include software, code, data, and other digital components. But as clean energy technologies advance, cybersecurity threats and vulnerabilities continue to evolve and grow in sophistication. Supply chain cybersecurity represents a critical area for ensuring safe operations as the U.S. moves toward a clean energy future.

cybersecurity↗

Geospatial analysis of freight accessibility and job attraction: The role of interstate ramps, airports, ports, and rail

The number of jobs within an industry is significantly influenced by geographical location, with transportation infrastructure playing a key role. While previous research has largely focused on how access to jobs affects employment, less attention has been given to how transportation infrastructure impacts business operations and job attraction. Here, this study addresses this gap by examining how the ease of transporting products to key transportation facilities affects job numbers in freight-intensive industries. Using job data from the Longitudinal Employment Household Dynamics dataset at the Census Tract level, we applied a non-parametric model to assess the impact of proximity to interstate ramps, rail intermodals, ports, and airports. Our analysis revealed that closer transportation infrastructure generally has a greater impact on employment. Specifically, interstate ramps are crucial for attracting jobs, particularly in rural areas, while airport proximity is essential for industries dealing with high-value, time-sensitive goods, as seen notably in Massachusetts. The importance of transportation facilities varies considerably across states and industries. The findings and method in this study can be used by transportation agencies for freight planning.

99 GENERAL AND MISCELLANEOUS↗

Elliptic multipoles and the modeling of narrow-gap bend magnets in accelerators

We highlight the virtues of 2D elliptic-multipole field expansions in modeling the magnetic fields of narrow-aperture, straight-axis bending magnets with parallel faces, addressing the limitations of the conventional circular multipole series when the beam-orbit sagitta exceeds the magnet's vertical half-gap. The elliptic multipoles provide a convenient way to represent the field in all aspects of the magnet development (design, particle-tracking simulations, measurements). We propose a numerically robust method of data analysis to determine the elliptic (or circular) multipoles from stretched-wire measurements with the wire moving on an arbitrary path.

Venturini, Marco↗

The Observed State of the Water Cycle in the Early Twenty-First Century

This study quantifies mean annual and monthly fluxes of Earth's water cycle over continents and ocean basins during the first decade of the millennium. To the extent possible, the flux estimates are based on satellite measurements first and data-integrating models second. A careful accounting of uncertainty in the estimates is included. It is applied within a routine that enforces multiple water and energy budget constraints simultaneously in a variational framework in order to produce objectively determined optimized flux estimates. In the majority of cases, the observed annual surface and atmospheric water budgets over the continents and oceans close with much less than 10% residual. Observed residuals and optimized uncertainty estimates are considerably larger for monthly surface and atmospheric water budget closure, often nearing or exceeding 20% in North America, Eurasia, Australia and neighboring islands, and the Arctic and South Atlantic Oceans. The residuals in South America and Africa tend to be smaller, possibly because cold land processes are negligible. Fluxes were poorly observed over the Arctic Ocean, certain seas, Antarctica, and the Australasian and Indonesian islands, leading to reliance on atmospheric analysis estimates. Many of the satellite systems that contributed data have been or will soon be lost or replaced. Models that integrate ground-based and remote observations will be critical for ameliorating gaps and discontinuities in the data records caused by these transitions. Continued development of such models is essential for maximizing the value of the observations. Next-generation observing systems are the best hope for significantly improving global water budget accounting.

Numerical analysis/modeling↗

Results of the Lunar Exploration Analysis Group (LEAG) Gap Review: Specific Action Team (SAT), Examination of Strategic Knowledge Gaps (SKGs) for Human Exploration of the Moon

The Lunar Exploration Analysis Group (LEAG) was tasked by the Human Exploration Operations Mission Directorate (HEOMD) to establish a Specific Action Team (SAT) to review lunar Strategic Knowledge Gaps (SKGs) within the context of new lunar data and some specific human mission scenarios. Within this review, the SAT was to identify the SKGs that have been fully or partially retired, identify new SKGs resulting from new data and observations, and review quantitative descriptions of measurements that are required to fill knowledge gaps, the fidelity of the measurements needed, and if relevant, provide examples of existing instruments or potential missions capable of filling the SKGs.

Shearer, C. K.↗

New Developments in the CompDam Fiber Kinking Model for the Interaction of Kinking and Splitting Cracks with Application to Open Hole Compression Specimens

This paper describes two new additions to the NASA fiber kinking model: 1) A failure index for fiber kinking is developed to facilitate interaction between kinking and matrix cracking and 2) A criterion for fiber rupture is introduced to account for fiber breakage before or after fiber kinking. The model formulation is described with the aid of graphical Considered constructions to elucidate the behavior. Verification studies are conducted with single element models to show the behavior of the model in light of the new developments and to evaluate the effect of numerical parameters of the model. The model is used to analyze open hole compression specimens with soft, quasi-isotropic, and hard layups. Analysis results are shown for a conventional continuum damage mechanics model as well as the proposed model to highlight the differences between the two. Comparison with test data highlights the capabilities and remaining gaps in the quantitative prediction of damage evolution in open hole compression. Overall, the results show that the proposed model is capable of representing the kinematics of fiber kinking, and specifically the role of fiber kinking in open hole compression.

Andrew Cole Bergan↗

Development of a Geothermal Module in reV: Quantifying the Geothermal Potential while Accounting for the Geospatial Intersection of the Grid Infrastructure and Land Use Characteristics

The Renewable Energy Potential (reV) model is a geospatial platform for estimating technical potential and developing renewable energy supply curves, initially developed for wind and solar technologies. The model evaluates deployment constraints, considering land use, environmental, and cultural factors, and estimates the distance to existing grid features to connect future plants (Maclaurin et al., 2021). A pressing deficiency in the reV model, however, is representation of geothermal electricity generation technologies. To address this gap, we developed a novel geothermal generation module for reV that allows for representation and analysis at the same level of detail as other renewable technologies. This paper describes our process for evaluating data sources for the modeling, and presents five preliminary reV geothermal results. More specifically, we present two sets of resource data that represent upper and lower bounds for geothermal potential. We then present several sensitivity runs using the upper bound resource data; the results are encouraging that levelized cost of electricity (LCOE) can be reduced by optimizing the location and estimated capacity of the spatially diverse geothermal resource while considering the distance to existing grid infrastructure. Our preliminary supply curves and levelized cost of electricity (LCOE) results should be considered with care due to the highly uncertainty in geothermal resource potential data. We present median LCOE values for the conterminous U.S. for five scenarios: four hydrothermal (3.5km depth) and one EGS (4.5km depth). The capital and operating costs for each respective technology are modeled. We also compare results using two different resource data sources.

exclusions↗

Development of a Geothermal Module in reV: Quantifying the Geothermal Potential While Accounting for the Geospatial Intersection of the Grid Infrastructure and Land Use Characteristics: Preprint

The Renewable Energy Potential (reV) model is a geospatial platform for estimating technical potential and developing renewable energy supply curves, initially developed for wind and solar technologies. The model evaluates deployment constraints, considering land use, environmental, and cultural factors, and estimates the distance to existing grid features to connect future plants (Maclaurin et al., 2021). A pressing deficiency in the reV model, however, is representation of geothermal electricity generation technologies. To address this gap, we developed a novel geothermal generation module for reV that allows for representation and analysis at the same level of detail as other renewable technologies. This paper describes our process for evaluating data sources for the modeling, and presents five preliminary reV geothermal results. More specifically, we present two sets of resource data that represent upper and lower bounds for geothermal potential. We then present several sensitivity runs using the upper bound resource data; the results are encouraging that levelized cost of electricity (LCOE) can be reduced by optimizing the location and estimated capacity of the spatially diverse geothermal resource while considering the distance to existing grid infrastructure. Our preliminary supply curves and levelized cost of electricity (LCOE) results should be considered with care due to the highly uncertainty in geothermal resource potential data. We present median LCOE values for the conterminous U.S. for five scenarios: four hydrothermal (3.5km depth) and one EGS (4.5km depth). The capital and operating costs for each respective technology are modeled. We also compare results using two different resource data sources.

exclusions↗

Exploring Renewable Energy Opportunities in Select Southeast Asian Countries: A Geospatial Analysis of the Levelized Cost of Energy of Utility-Scale Wind and Solar Photovoltaics

The costs of renewable energy-based electricity generation have fallen precipitously in recent years to levels that are increasingly competitive with traditional generation such as fossil fuel-based generation. As these costs become increasingly competitive, private developers, policymakers, and energy system planners are searching for opportunities to harness high-quality renewable energy resources. Developing economies are setting ambitious targets and exploring how cost-effective, grid-connected renewable energy options can help power economic growth and meet growing electricity demands. This includes the member states of the Association of Southeast Asian Nations (ASEAN) that are determined to reach a target of 23% of renewable energy in the region's total primary energy supply by 2025. A critical gap to identifying opportunities and scaling up renewable energy is the lack of quality data and analyses to support decisions on the investment and deployment of renewables - including wind and solar photovoltaics (PV). This work supports decision making by providing high-quality data and spatial analysis of the cost of utility-scale wind and solar PV generation in select countries of Southeast Asia - specifically, the ASEAN member states. Generation costs are expressed as the levelized cost of energy (LCOE) - a commonly used metric that represents the net present value of the unit cost of electricity during the lifetime of a particular electricity generation technology. This is the first spatial estimate of LCOE for these technologies within the ASEAN member states - providing insights into the roles that renewable energy resource quality and other factors may play in generation costs.

14 SOLAR ENERGY↗

Applications of Remote Sensing for Land Use Planning Scenarios with Suitability Analysis

In regions undergoing rapid urbanization, such as West Africa, land use planning (LUP) is vital to accommodate growing population and manage natural resources. Suitability analysis modeling is a widely used tool in LUP to determine the extent to which a land area is suitable for a designated purpose, but there is a gap in the integration of remote sensing time series data into land use decisions. The goal of this study was to incorporate remote sensing time series information with suitability analyses to inform LUP decisions in urban areas. In the study area of Kumasi, Ghana, land cover trends and land surface temperature (LST) from 2000 to 2019 were used to understand climate change trends. Suitability analyses determined the fitness of land areas for predetermined uses. These background processes informed a genetic algorithm to project plausible futures for three land use scenarios. One scenario represented current land use planning practices for addressing population growth, another scenario prioritized minimizing climate change impacts while also accommodating population growth, and the final scenario focused on both of these climate and population goals in addition to high density urban development. Each of these scenarios was successful in achieving population accommodation and respective climate change mitigation goals. The results for these scenarios provide insight into plausible land use distributions in 2050 based on different planning approaches. The genetic algorithm was able to effectively develop results for each scenario through the integration of remotely sensed trends and suitability models, providing a novel approach to land use decision-making.

remote sensing time series↗

Comprehensive Evaluation of Agrivoltaics Research: Breadth, Depth, and Insights for Future Research

Agrivoltaics integrates agricultural production with solar energy generation to address challenges related to land use, food security, and renewable energy development. This study provides the most comprehensive evaluation to date of global agrivoltaic research, aiming to classify the literature, identify strengths and gaps, and guide future work. We systematically screened over 3000 English-language publications through 2023 for relevant agrivoltaic publications. A total of 670 studies were categorized in the InSPIRE Data Portal across five agrivoltaic activities and multiple hierarchical themes, including physical, biological, technological, social, and crosscutting domains. We found that research was concentrated on crop production, microclimate dynamics, and PV performance, with gaps in areas like human health, wildlife, policy, and standardized methodologies. Although the U.S. emphasizes animal grazing and habitat-based systems in practice, most U.S.-based studies focused disproportionately on crop production. The analysis revealed uneven geographic and topical representation and highlighted a lack of integrated, interdisciplinary approaches. This study concludes that while agrivoltaic research has grown rapidly, more coordinated efforts could support standardized data collection, address overlooked ecological and social impacts, and align research focus with real-world system implementation, ultimately improving the scalability and successful deployment of agrivoltaic systems.

14 SOLAR ENERGY↗

What Is in Umbilicaria pustulata? A Metagenomic Approach to Reconstruct the Holo-Genome of a Lichen

Lichens are valuable models in symbiosis research and promising sources of biosynthetic genes for biotechnological applications. Most lichenized fungi grow slowly, resist aposymbiotic cultivation, and are poor candidates for experimentation. Obtaining contiguous, high-quality genomes for such symbiotic communities is technically challenging. Here, we present the first assembly of a lichen holo-genome from metagenomic whole-genome shotgun data comprising both PacBio long reads and Illumina short reads. The nuclear genomes of the two primary components of the lichen symbiosis—the fungus Umbilicaria pustulata (33 Mb) and the green alga Trebouxia sp. (53 Mb)—were assembled at contiguities comparable to single-species assemblies. The analysis of the read coverage pattern revealed a relative abundance of fungal to algal nuclei of ~20:1. Gap-free, circular sequences for all organellar genomes were obtained. The bacterial community is dominated by Acidobacteriaceae and encompasses strains closely related to bacteria isolated from other lichens. Gene set analyses showed no evidence of horizontal gene transfer from algae or bacteria into the fungal genome. Our data suggest a lineage-specific loss of a putative gibberellin-20-oxidase in the fungus, a gene fusion in the fungal mitochondrion, and a relocation of an algal chloroplast gene to the algal nucleus. Major technical obstacles during reconstruction of the holo-genome were coverage differences among individual genomes surpassing three orders of magnitude. Moreover, we show that GC-rich inverted repeats paired with nonrandom sequencing error in PacBio data can result in missing gene predictions. This likely poses a general problem for genome assemblies based on long reads.

54 ENVIRONMENTAL SCIENCES↗

Development of phenomena identification and ranking table for Westinghouse lead fast reactor’s safety

The Westinghouse Lead-cooled Fast Reactor (LFR) is a medium-size, passively safe, economic, Gen-IV nuclear reactor. An important effort within the Westinghouse LFR program is the development of the safety analysis methodology, which comprises computer code development, model development, and experimental testing. A key initial task associated with the development of the safety analysis methodology is the identification of processes and phenomena that affect the plant's capability to meet selected safety performance indicators. This is accomplished through the development of a Phenomena Identification and Ranking Table (PIRT) for selected accident scenarios which, for this specific PIRT effort, included selected postulated design basis accidents and hypothetical beyond design basis accidents in LFRs. This paper describes the role of PIRT in the development of the Westinghouse LFR safety analysis methodology and the process used in the PIRT development. Specifically, the Westinghouse LFR PIRT assessed importance of pertinent phenomena and identified gaps in their knowledge-base by evaluating current modeling capabilities and data available for validation. The ultimate goal was to provide guidance on computer code development and validation efforts and to prioritize testing to support LFR design and licensing. The key phenomena and processes that are deemed highly important for the safety performance indicators, but for which the state of knowledge is low, are presented. The testing program and analyses development are planned to address significant phenomena in the PIRT.

Lead fast reactor↗

Empirically-calibrated H100 node power models for accurate AI training energy estimation

Accurately quantifying the energy use of artificial intelligence (AI) training is critical for infrastructure planning, carbon accounting, and sustainable data center operation, but few studies have directly measured the power consumption of production workloads on contemporary hardware. By combining empirical measurements from Brookhaven National Laboratory during AI training on 8-graphics-processing-unit H100 systems with open-source benchmarking data, we develop statistical models relating computational intensity to node-level power consumption. We measure the gap between manufacturer-rated thermal design power (TDP) and actual power demand during AI training. Our analysis reveals that even computationally intensive workloads operate at only 76% of the 10.2 kW TDP rating. Our architecture-specific model, calibrated to floating-point operations, predicts energy consumption with 11.4% mean absolute percentage error, significantly outperforming TDP-based approaches (27%–37% error). We identified distinct power signatures between transformer and convolutional neural network architectures, with transformers showing characteristic fluctuations that may impact grid stability. These results provide a measurement-grounded basis for improving AI training energy estimates, enabling more reliable infrastructure sizing, cost projections, and environmental impact assessments.

Newkirk, Alex C↗