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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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DOE OSTI2026

Soil metagenomics umbrella narrative

Implementing accessible, authentic research experiences in introductory courses is challenging, particularly at institutions serving diverse student populations. To address this gap, we developed and deployed a Course-based Undergraduate Research Experience (CURE) focused on plant-microbe interactions in General Biology II at Northeastern Illinois University (NEIU), a minority-serving institution with a diverse student body. Students grew sugar beets (Beta vulgaris), extracted DNA from the rhizoplane, and used the Department of Energy Systems Biology Knowledgebase (KBase) for bioinformatic analysis to compare microbial relative abundance in fertilized versus unfertilized soil. Over five semesters, the CURE engaged 103 students and leveraged the intuitive KBase platform to make complex sequencing data accessible. Pre/post-course survey data revealed significant increases in student self-assessed research skills, including the ability to explain results and determine the types of data to collect. Furthermore, students reported significant gains in confidence related to experimental design and hypothesis development, alongside a strong increase in familiarity with KBase. Informal faculty feedback indicated high student engagement and appreciation for the real-world connections (e.g. food systems, agriculture, and health). This scalable, low-cost model effectively integrates data science tools into the foundational curriculum, demonstrating a potent strategy for boosting research skills and broadening participation in authentic scientific inquiry among diverse undergraduate students.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Spatial Interpolation of Air Pollutant and Meteorological Variables in Central Amazonia

The Amazon Rainforest is highlighted by the global community both for its extensive vegetation cover that constantly suffers the effects of anthropic action and for its substantial biodiversity. This dataset presents data of meteorological variables from the Amazon Rainforest region with a spatial resolution of 0.001° in latitude and longitude, resulting from an interpolation process. The original data were obtained from the GoAmazon 2014/5 project, in the Atmospheric Radiation Measurement (ARM) repository, and then processed through mathematical and statistical methods. The dataset presented here can be used in experiments in the field of Data Science, such as training models for predicting climate variables or modeling the distribution of species.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Characterizing Families of Spectral Similarity Scores and Their Use Cases for Gas Chromatography–Mass Spectrometry Small Molecule Identification

Metabolomics provides a unique snapshot into the world of small molecules and the complex biological processes that govern the human, animal, plant, and environmental ecosystems encapsulated by the One Health modeling framework. However, this “molecular snapshot” is only as informative as the number of metabolites confidently identified within it. The spectral similarity (SS) score is traditionally used to identify compound(s) in mass spectrometry approaches to metabolomics, where spectra are matched to reference libraries of candidate spectra. Unfortunately, there is little consensus on which of the dozens of available SS metrics should be used. This lack of standard SS score creates analytic uncertainty and potentially leads to issues in reproducibility, especially as these data are integrated across other domains. In this work, we use metabolomic spectral similarity as a case study to showcase the challenges in consistency within just one piece of the One Health framework that must be addressed to enable data science approaches for One Health problems. Here, using a large cohort of datasets comprising both standard and complex datasets with expert-verified truth annotations, we evaluated the effectiveness of 66 similarity metrics to delineate between correct matches (true positives) and incorrect matches (true negatives). We additionally characterize the families of these metrics to make informed recommendations for their use. Our results indicate that specific families of metrics (the Inner Product, Correlative, and Intersection families of scores) tend to perform better than others, with no single similarity metric performing optimally for all queried spectra. This work and its findings provide an empirically-based resource for researchers to use in their selection of similarity metrics for GC-MS identification, increasing scientific reproducibility through taking steps towards standardizing identification workflows.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

COMAP Early Science. V. Constraints and Forecasts at z ~ 3

We present the current state of models for the z ~ 3 carbon monoxide (CO) line intensity signal targeted by the CO Mapping Array Project (COMAP) Pathfinder in the context of its early science results. Our fiducial model, relating dark matter halo properties to CO luminosities, informs parameter priors with empirical models of the galaxy–halo connection and previous CO (1–0) observations. The Pathfinder early science data spanning wavenumbers k = 0.051–0.62 Mpc –1 represent the first direct 3D constraint on the clustering component of the CO (1–0) power spectrum. Our 95% upper limit on the redshift-space clustering amplitude A clust ≲ 70 μK 2 greatly improves on the indirect upper limit of 420 μK 2 reported from the CO Power Spectrum Survey (COPSS) measurement at k ~ 1 Mpc –1 . The COMAP limit excludes a subset of models from previous literature and constrains interpretation of the COPSS results, demonstrating the complementary nature of COMAP and interferometric CO surveys. Using line bias expectations from our priors, we also constrain the squared mean line intensity–bias product, ${\left\langle {Tb}\right\rangle }_{2}$ ≲ 50 μK 2 , and the cosmic molecular gas density, ρ H2 < 2.5 × 10 8 M ⊙ Mpc –3 (95% upper limits). Based on early instrument performance and our current CO signal estimates, we forecast that the 5 yr Pathfinder campaign will detect the CO power spectrum with overall signal-to-noise ratio of 9–17. Between then and now, we also expect to detect the CO–galaxy cross-spectrum using overlapping galaxy survey data, enabling enhanced inferences of cosmic star formation and galaxy evolution history.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Fermi Large Area Telescope Fourth Source Catalog

We present the fourth Fermi Large Area Telescope catalog (4FGL) of γ-ray sources. Based on the first eight years of science data from the Fermi Gamma-ray Space Telescope mission in the energy range from 50 MeV to 1 TeV, it is the deepest yet in this energy range. Relative to the 3FGL catalog, the 4FGL catalog has twice as much exposure as well as a number of analysis improvements, including an updated model for the Galactic diffuse γ-ray emission, and two sets of light curves (one-year and two-month intervals). The 4FGL catalog includes 5064 sources above 4σ significance, for which we provide localization and spectral properties. Seventy-five sources are modeled explicitly as spatially extended, and overall, 358 sources are considered as identified based on angular extent, periodicity, or correlated variability observed at other wavelengths. For 1336 sources, we have not found plausible counterparts at other wavelengths. More than 3130 of the identified or associated sources are active galaxies of the blazar class, and 239 are pulsars.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Finding Peas in the Early Universe with JWST

The Early Release Observations (EROs) of JWST beautifully demonstrate the promise of JWST in characterizing the universe at Cosmic Dawn. We analyze the Near Infrared Spectrograph ERO spectra of three z ~ 8 galaxies to determine their metallicities, gas temperatures, and ionization. These galaxies offer the first opportunity to understand the physical properties of Epoch-of-Reionization galaxies through detailed rest-optical emission-line spectroscopy. We show that these objects have metal abundances $12+\mathrm{log}[{\rm{O}}/{\rm{H}}]\,\approx$ 6.9–8.3, based on both the T e method and on a recent calibration of the R 23 metallicity indicator. Since the spectra are some of the earliest science data from JWST, we compare several line ratios with values expected from robust physics, to validate our measurement procedures. We compare the abundances and emission-line ratios to a nearby sample of Green Pea galaxies—a population of nearby emission-line galaxies whose UV properties resemble Epoch-of-Reionization galaxies, and which often have large Lyman continuum escape fractions. The JWST data show striking further similarities between these high-redshift galaxies and nearby Green Peas. The z ~ 8 galaxies span the metallicity range covered by Green Peas. They also show the compact morphology that is typical of emission-line-dominated galaxies at all redshifts. Based on these similarities with Green Peas, it is likely that these are the first rest-optical spectra of galaxies that are actively driving cosmological reionization.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Advanced Offshore Hazard Forecasting to Enable Resilient Offshore Operations

Paper prepared for the Offshore Technology Conference, 2024. Hazards in the offshore environment can imperil successful energy operations, whether those operations are conventional, renewable, or for decarbonization. The expanding accessibility of data science and the advanced applications of machine learning (ML) models creates an opportunity to assess potential hazards and the infrastructure they impact. We present a use case demonstrating the combined application of published ML tools to U.S. federal waters of the Gulf of Mexico, an actively explored region for offshore energy that is affected by variable metocean conditions and geologic processes contributing to potential hazards.

Mark-Moser, Mackenzie K.↗

DOE OSTI2025

Long Range Plan: Dense matter theory for heavy-ion collisions and neutron stars

Since the release of the 2015 Long Range Plan in Nuclear Physics, major events have occurred that reshaped our understanding of quantum chromodynamics (QCD) and nuclear matter at large densities, in and out of equilibrium. The US nuclear community has an opportunity to capitalize on advances in astrophysical observations and nuclear experiments and engage in an interdisciplinary effort in the theory of dense baryonic matter that connects low- and high-energy nuclear physics, astrophysics, gravitational waves physics, and data science. This is a white paper prepared by a group of nuclear physicists during the 2023 LRP process.

Lovato, Alessandro↗

DOE OSTI2023

Grand challenges in the digitalisation of wind energy

The availability of large amounts of data is starting to impact how the wind energy community works. From turbine design to plant layout, construction, commissioning, and maintenance and operations, new processes and business models are springing up. This is the process of digitalisation, and it promises improved efficiency and greater insight, ultimately leading to increased energy capture and significant savings for wind plant operators, thus reducing the levelised cost of energy. Digitalisation is also impacting research, where it is both easing and speeding up collaboration, as well as making research results more accessible. This is the basis for innovations that can be taken up by end users. But digitalisation faces barriers. This paper uses a literature survey and the results from an expert elicitation to identify three common industry-wide barriers to the digitalisation of wind energy. Comparison with other networked industries and past and ongoing initiatives to foster digitalisation show that these barriers can only be overcome by wide-reaching strategic efforts, and so we see these as “grand challenges” in the digitalisation of wind energy. They are, first, creating FAIR data frameworks; secondly, connecting people and data to foster innovation; and finally, enabling collaboration and competition between organisations. The grand challenges in the digitalisation of wind energy thus include a mix of technical, cultural, and business aspects that will need collaboration between businesses, academia, and government to solve. Working to mitigate them is the beginning of a dynamic process that will position wind energy as an essential part of a global clean energy future.

17 WIND ENERGY↗

DOE OSTI2024

Opportunities for Process Intensification with Membranes to Promote Circular Economy Development for Critical Minerals

Critical minerals are essential to the future of clean energy, especially energy storage, electric vehicles, and advanced electronics. In this paper, we argue that process systems engineering (PSE) paradigms provide essential frameworks for enhancing the sustainability and efficiency of critical mineral processing pathways. As a concrete example, we review challenges and opportu-nities across material-to-infrastructure scales for process intensification (PI) with membranes. Within critical mineral processing, there is a need to reduce environmental impact, especially con-cerning chemical reagent usage. Feed concentrations and product demand variability require flex-ible, intensified processes. Further, unique feedstocks require unique processes (i.e., no one-size-fits-all recycling or refining system exists). Membrane materials span a vast design space that allows significant optimization. Therefore, there is a need to rapidly identify the best opportunities for membrane implementation, thus informing materials optimization with process and infrastructure scale performance targets. Finally, scale-up must be accelerated and de-risked across the materials-to-process levels to fully realize the opportunity presented by membranes, thereby fostering the development of a circular economy for critical minerals. Tackling these challenges requires integrating efforts across diverse disciplines. We advocate for a holistic molecular-to-systems perspective for fully realizing PI with membranes to address sustainability challenges in critical mineral processing. The opportunities for PI with membranes are excellent applications for emerging research in machine learning, data science, automation, and optimization.

Dougher, Molly↗

DOE OSTI2022

Bio-Optimized Technologies to Keep Thermoplastics out of Landfills and the Environment (BOTTLE)

Plastics have revolutionized modern life, but reliance on these fossil-based materials that persist for centuries is causing a pollution crisis and contributing to greenhouse gas (GHG) emissions. To develop new technologies to address this problem, the Bio-Optimized Technologies to keep Thermoplastics out of Landfills and the Environment (BOTTLE) Consortium will deliver selective, scalable technologies to enable cost-effective recycling, upcycling, and increased energy efficiency. BOTTLE is an interdisciplinary team of experts that aim to develop selective, scalable processes to deconstruct and upcycle today's plastics and thermosets, redesign tomorrow's plastics to be recyclable-by-design (RBD) and derived from both bio-based and plastic waste-based feedstocks, work with industrial partners across the value chain to catalyze the circular economy for plastics, and leverage AMO and BETO investments in analysis-guided R&D, integrated process development, chemical and biological catalysis, materials characterization, modeling, and data science. BOTTLE is guided by techno-economic analysis (TEA) and supply chain-based life-cycle assessment (LCA). BOTTLE comprises members from ten partner institutions. Primary outcomes to date include establishment of a full consortium, impactful, benchmarking analyses that will be important for the plastics recycling and upcycling community, and multiple impactful, high-impact publications across the breadth of our research portfolio.

bio-optimized↗

DOE OSTI2021

Response to Andrew Fowlie’s Comments

This Letter to the Editor of Harvard Data Science Review is a rejoinder to a Letter to the Editor by Andrew Fowlie, titled “Comment on Reproducibility and Replication of Experimental Particle Physics Results”.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Challenges of Data Stewardship for the LANL Weapons Program (and Some Solutions!)

Explore the source record for details and available documents.

Data science, data management↗

DOE OSTI2023

An Update on the Geothermal Data Repository's Data Standards and Pipelines: Geospatial Data and Distributed Acoustic Sensing Data: Preprint

The Department of Energy's (DOE) Geothermal Data Repository (GDR) team has implemented data standards and automated data pipelines for the following data types: 1) drilling data, 2) geospatial datasets, and 3) DAS data. An additional data pipeline is proposed for stimulation data. These data standards and pipelines are intended to improve the real-world applicability of geothermal machine learning outputs through improving the quality of data. More specifically, through standardizing high-value datasets, the GDR is reducing project-specific data curation requirements, allowing more time to be spent on actual research. By automating this process, the burden of standardization is taken off of the user, overall increasing the availability of standardized data. This paper provides an update on the GDR's transition toward data standardization through automated data pipelines and calls for feedback from the community on how we can improve this process.

cloud-optimized↗

DOE OSTI2023

An Update on the Geothermal Data Repository's Data Standards and Pipelines: Geospatial Data and Distributed Acoustic Sensing Data

cloud-optimized↗

DOE OSTI2023

An Update on the Geothermal Data Repository's Data Standards and Pipelines: Geospatial Data and Distributed Acoustic Sensing Data

The Department of Energy's (DOE) Geothermal Data Repository (GDR) team has implemented or is currently implementing data standards and automated data pipelines for the following geothermal data types: 1) drilling data, 2) geospatial datasets, and 3) Distributed Acoustic Sensing (DAS) data. These data standards and pipelines are intended to improve the real-world applicability of geothermal machine learning outputs through improving the quality of data. More specifically, through standardizing high-value datasets, the GDR is reducing project-specific data curation requirements, allowing more time to be spent on actual research. By automating this process, the burden of standardization is taken off of the user, overall increasing the availability of standardized data. This paper provides an update on the GDR's transition toward data standardization through automated data pipelines and calls for feedback from the community on how the GDR team can improve this process.

cloud-optimized↗

DOE OSTI2020

Data Collection and Analysis Challenges and Mitigation Strategies for Quantitative Human Factors Research Studies in Nuclear Power Plant Modernization

The United States (U.S.) Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) program Plant Modernization Pathway is conducting targeted research and development (R&D) to address aging and reliability concerns with the legacy instrumentation and control and related information systems of the U.S. LWR fleet. In this effort, the application of human factors engineering (HFE) provides an important role in ensuring new digital plant technologies enable broad innovation and business improvement with continued operational safety. Evaluation is a key activity in HFE, which often occurs iteratively through the system design lifecycle. While qualitative methods are important in collecting information of how users perform tasks through observations, quantitative methods are equally important in assessing system design based on performance. In collecting and analyzing this quantitative data, there are notable challenges in the nuclear HFE domain that may threaten the validity and reliability of the inferences made in these studies. Notable challenges include small sample size and limited resources, large error variance and small effect size, an “adding test features to losing degrees of freedom” dilemma, non-normal distribution, and heterogeneity of variance. The results in control room usability studies are often statistically non-significant, which makes it hard to interpret. This work discusses these challenges across different scientific viewpoints and provides real-world examples of these challenges in practice. Collectively, the objective of this work is to position these challenges to the larger data science community as a means of identifying future opportunities to address these issues.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2024

Final Report (October 2024): University of Tennessee, Knoxville (UTK) contribution to: FusMatML: Machine Learning Atomistic Modeling for Fusion Materials Collaborative Project led by Dr. Aidan Thompson, Sandia National Laboratory

The rapid growth of the field of Machine Learning Inter-Atomic Potentials (MLIAP) has lead to a profusion of methods, all of which have some similarity to each other, but each also restricted to particular design choices, often arrived at in a rather ad hoc fashion. Beyond anecdotal evidence, and some benchmarking studies on specific problems, little progress has been made in developing design principles for MLIAPs. The goal of this project is to use machine learning, data science, and uncertainty quantification methods to optimize the design choices for MLIAP.

Density functional theory, Helium and Hydrogen↗