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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 37 records · Page 2

Evaluating a Commercial Dynamic Line Rating Software with the National PMU Dataset

To accelerate the development of data-driven applications for power systems, the Department of Energy (DOE) supported the collection and curation of a synchrophasor dataset spanning two years of observations from transmission utilities across the US. This National PMU Dataset (NPDS) was anonymized and distributed to awardees of a DOE research grant under nondisclosure agreements (NDAs) but has also been retained at PNNL to enable further research. Agreements with data contributors prevent the data from being shared outside the organization. However, establishing a blind research validation methodology is envisioned to maximize the value proposition of the NPDS. In this validation strategy, researchers may share algorithms/software (potentially as executables to protect intellectual property) with PNNL, and PNNL will share feedback about the software’s performance on subsets of the NPDS. Such a blind methodology ensures that sensitive information about critical infrastructure remains protected, but the value of the NPDS can be extended to research beyond PNNL. Through iterative feedback, the algorithms may be tweaked to address real-world artifacts. As the NPDS data is temporally and geographically diverse, it may capture features absent in smaller datasets used during the development of the algorithm under test. This report presents lessons learned from applying the blind validation methodology to LineID™, a synchrophasor-based dynamic line rating software developed by Topolonet Corporation. Improvements made to the software through iterative feedback, limitations of the validation methodology, as well as how the limitations of the NPDS affected the evaluation process are discussed. Observations indicate that the proposed validation methodology can be valuable for evaluating other tools in the future.

97 MATHEMATICS AND COMPUTING↗

Monitoring Xenon Capture in a Metal Organic Framework Using Laser-Induced Breakdown Spectroscopy

Molten salt reactor operation will necessitate circulation of a cover gas to remove certain evolved fission products and maintain an inert atmosphere. The cover gas leaving the reactor core is expected to contain both noble and non-noble gases, aerosols, volatile species, tritium, and radionuclides and their daughters. To remove these radioactive gases, it is necessary to develop a robust off-gas system, along with novel sensors to monitor the gas stream and the treatment system performance. In this study, a metal organic framework (MOF) was engineered for the capture of Xe, a major contributor to the off-gas source term. The engineered MOF column was tested with a laser-induced breakdown spectroscopy (LIBS) sensor for noble gas monitoring. The LIBS sensor was used to monitor breakthrough tests with various Xe, Kr, and Ar mixtures to determine the Xe selectivity of the MOF column. This study offers an initial demonstration of the feasibility of monitoring off-gas treatment systems using a LIBS sensor to aid in the development of new capture systems for molten salt reactors.

47 OTHER INSTRUMENTATION↗

Cell-specific measurements show nitrogen fixation by particle-attached putative non-cyanobacterial diazotrophs in the North Pacific Subtropical Gyre

Abstract Biological nitrogen fixation is a major important source of nitrogen for low-nutrient surface oceanic waters. Nitrogen-fixing (diazotrophic) cyanobacteria are believed to be the primary contributors to this process, but the contribution of non-cyanobacterial diazotrophic organisms in oxygenated surface water, while hypothesized to be important, has yet to be demonstrated. In this study, we used simultaneous 15 N-dinitrogen and 13 C-bicarbonate incubations combined with nanoscale secondary ion mass spectrometry analysis to screen tens of thousands of mostly particle-associated, cell-like regions of interest collected from the North Pacific Subtropical Gyre. These dual isotope incubations allow us to distinguish between non-cyanobacterial and cyanobacterial nitrogen-fixing microorganisms and to measure putative cell-specific nitrogen fixation rates. With this approach, we detect nitrogen fixation by putative non-cyanobacterial diazotrophs in the oxygenated surface ocean, which are associated with organic-rich particles (<210 µm size fraction) at two out of seven locations sampled. When present, up to 4.1% of the analyzed particles contain at least one active putative non-cyanobacterial diazotroph. The putative non-cyanobacterial diazotroph nitrogen fixation rates (0.76 ± 1.60 fmol N cell −1 d −1 ) suggest that these organisms are capable of fixing dinitrogen in oxygenated surface water, at least when attached to particles, and may contribute to oceanic nitrogen fixation.

59 BASIC BIOLOGICAL SCIENCES↗

Summary of Responses to the Request for Information (RFI) on Partnerships for Transformational Artificial Intelligence Models

The Department of Energy (DOE) issued a Request for Information (RFI) in December 2025 inviting public comments regarding partnerships for transformational Artificial Intelligence (AI) models for the Genesis Mission Consortium, a public-private partnership platform. This RFI solicited feedback from industry, nonprofit organizations, universities, independent research organizations and other stakeholders. Specifically, the RFI asked three questions on (1) mobilizing DOE National Laboratories to curate the scientific data in a responsible and privacy-preserving manner, (2) the extent to which existing general-purpose AI models can be leveraged and which scientific disciplines are priorities for such model development, and (3) mechanisms by which these AI models can be provided to scientific communities. This document summarizes the input from 194 unique nonproprietary responses from businesses, universities, nonprofit organizations, research institutes and laboratories as well as a variety of other contributors, including individual contributions.

97 MATHEMATICS AND COMPUTING↗

Ice Nucleating Particle Connections to Regional Argentinian Land Surface Emissions and Weather During the Cloud, Aerosol, and Complex Terrain Interactions Experiment

Abstract Here, we present a multi‐season study of ice‐nucleating particles (INPs) active via the immersion freezing mechanism, which took place in north‐central Argentina, a worldwide hotspot for mesoscale convective storms. INPs were measured untreated, after heating to 95°C, and after hydrogen peroxide digestion. No seasonal cycle of INP concentrations was observed. Heat labile INPs, which we define as “biological” herein, dominated the population active at −5 to −20°C, while non‐heat‐labile organic INPs (decomposed by peroxide) dominated at lower temperatures, from −20 to −28°C. Inorganic INPs (remaining after peroxide digestion), were minor contributors to the overall INP activity. Biological INP concentration active around −12°C peaked during rain events and under high relative humidity, reflecting emission mechanisms independent of the background aerosol concentration. The ratio of non‐heat‐labile organic and inorganic INPs was generally constant, suggesting they originated from the same source, presumably from regional arable topsoil based on air mass histories. Single particle mass spectrometry showed that soil particles aerosolized from a regionally common agricultural topsoil contained known mineral INP sources (K‐feldspar and illite) as well as a significant organic component. The INP activity observed in this study correlates well with agricultural soil INP activities from this and other regions of the world, suggesting that the observed INP spectra might be typical of many arable landscapes. These results demonstrate the strong influence of regional continental landscapes, emitting INPs of types that are not yet well represented in global models.

54 ENVIRONMENTAL SCIENCES↗

Organosulfur Aerosols Likely Carried Sulfur MIF Signatures in the Early Earth’s Atmosphere

Signatures of mass-independent fractionation (MIF) of sulfur in Archean sulfide and sulfate minerals are widely thought to record an anoxic early Earth’s atmosphere. While experiments of ultraviolet irradiation of SO 2 produce significant sulfur mass-independent fractionation (S-MIF) in reaction products (elemental sulfur and residual sulfur dioxide), they have not been able to reproduce the isotope patterns, in particular Δ 36 S/Δ 33 S ratios, observed in the geologic rock record. Studies that focused on organic sulfur gases and hazes in Archean did not report organosulfur aerosol photoproducts as major contributors to Archean S-MIF chemistry. Here we show, for the first time, that photochemical reactions of SO 2 in the presence of gaseous hydrocarbons (CH 4 , C 2 H 2 , and C 2 H 4 ) produce haze-like organosulfur aerosols bearing S-MIF with variable Δ 36 S/Δ 33 S ratios. The isotope trends for the organosulfur photoproducts produced in our experiments suggest that in addition to elemental sulfur, organosulfur compounds—in particular methanesulfonic acid—are a key component of S-MIF signals from the atmosphere to the ocean and sediments with possible links to Archean atmosphere warmed by a methane greenhouse.

54 ENVIRONMENTAL SCIENCES↗

Cellulosome Localization Patterns Vary across Life Stages of Anaerobic Fungi

Anaerobic fungi ( Neocallimastigomycota ) isolated from the guts of herbivores excel at degrading ingested plant matter, making them attractive potential platform organisms for converting waste biomass into valuable products, such as chemicals and fuels. Major contributors to their biomass-hydrolyzing power are the multienzyme cellulosome complexes that anaerobic fungi produce, but knowledge gaps in how cellulosome production is controlled by the cellular life cycle and how cells spatially deploy cellulosomes complicate the use of anaerobic fungi and their cellulosomes in industrial bioprocesses.

59 BASIC BIOLOGICAL SCIENCES↗

African smoke particles act as cloud condensation nuclei in the wintertime tropical North Atlantic boundary layer over Barbados

Abstract. The number concentration and properties of aerosol particles serving as cloud condensation nuclei (CCN) are important for understanding cloud properties, including in the tropical Atlantic marine boundary layer (MBL), where marine cumulus clouds reflect incoming solar radiation and obscure the low-albedo ocean surface. Studies linking aerosol source, composition, and water uptake properties in this region have been conducted primarily during the summertime dust transport season, despite the region receiving a variety of aerosol particle types throughout the year. In this study, we compare size-resolved aerosol chemical composition data to the hygroscopicity parameter κ derived from size-resolved CCN measurements made during the Elucidating the Role of Clouds–Circulation Coupling in Climate (EUREC4A) and Atlantic Tradewind Ocean-Atmosphere Mesoscale Interaction Campaign (ATOMIC) campaigns from January to February 2020. We observed unexpected periods of wintertime long-range transport of African smoke and dust to Barbados. During these periods, the accumulation-mode aerosol particle and CCN number concentrations as well as the proportions of dust and smoke particles increased, whereas the average κ slightly decreased (κ=0.46±0.10) from marine background conditions (κ=0.52±0.09) when the submicron particles were mostly composed of marine organics and sulfate. Size-resolved chemical analysis shows that smoke particles were the major contributor to the accumulation mode during long-range transport events, indicating that smoke is mainly responsible for the observed increase in CCN number concentrations. Earlier studies conducted at Barbados have mostly focused on the role of dust on CCN, but our results show that aerosol hygroscopicity and CCN number concentrations during wintertime long-range transport events over the tropical North Atlantic are also affected by African smoke. Our findings highlight the importance of African smoke for atmospheric processes and cloud formation over the Caribbean.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Sequential Abiotic-Biotic Processes Drive Organic Carbon Transformation in Peat Bogs

Peatlands, which store one-third of the terrestrial carbon (C), are subject to large disturbances under a changing climate. It is crucial to understand how microbial and physiochemical factors affect the vulnerability of these large C stores to predict climate induced greenhouse gas fluxes. Here, we used a combination of mass spectrometry and spectroscopy techniques, to understand sequential biotic and abiotic degradation pathways of Sphagnum fallax leachate in an anaerobic incubation experiment, in the presence and absence of microorganisms. Removal of microorganisms was carried out by passing aqueous samples through 0.2 µm filters. In this work, our results revealed that Sphagnum fallax leachate degradation by abiotic reactions is a significant contributor to CO 2 production. Further, abiotic factors, such as low pH, are responsible for partial dissolved organic carbon (DOC) degradation that produces bioavailable compounds that shift microbial metabolic pathways and stimulate respiration in peat bogs. Acid-catalyzed hydrolysis of Sphagnum-produced glycosides can provide the microbial communities with glucose and stimulate microbial respiration of DOC to CO 2 . These results, while unique to peatlands, demonstrate the importance and underscore the complexity of sequential abiotic and biotic processes on C cycling in peat bogs. It is therefore crucial to incorporate abiotic degradation and sequential below-ground biotic and abiotic interactions into climate models for a better prediction of the influence of climate change on DOC stability in peatlands. These findings might not be representative of other ecosystems with different environmental conditions including mineral-rich peatlands and plant matter in surface peat horizons that comprise discrete microbial populations, and DOC composition.

54 ENVIRONMENTAL SCIENCES↗

Crowdsourcing biocuration: The Community Assessment of Community Annotation with Ontologies (CACAO)

Experimental data about gene functions curated from the primary literature have enormous value for research scientists in understanding biology. Using the Gene Ontology (GO), manual curation by experts has provided an important resource for studying gene function, especially within model organisms. Unprecedented expansion of the scientific literature and validation of the predicted proteins have increased both data value and the challenges of keeping pace. Capturing literature-based functional annotations is limited by the ability of biocurators to handle the massive and rapidly growing scientific literature. Within the community-oriented wiki framework for GO annotation called the Gene Ontology Normal Usage Tracking System (GONUTS), we describe an approach to expand biocuration through crowdsourcing with undergraduates. This multiplies the number of high-quality annotations in international databases, enriches our coverage of the literature on normal gene function, and pushes the field in new directions. From an intercollegiate competition judged by experienced biocurators, Community Assessment of Community Annotation with Ontologies (CACAO), we have contributed nearly 5,000 literature-based annotations. Many of those annotations are to organisms not currently well-represented within GO. Over a 10-year history, our community contributors have spurred changes to the ontology not traditionally covered by professional biocurators. The CACAO principle of relying on community members to participate in and shape the future of biocuration in GO is a powerful and scalable model used to promote the scientific enterprise. It also provides undergraduate students with a unique and enriching introduction to critical reading of primary literature and acquisition of marketable skills.

59 BASIC BIOLOGICAL SCIENCES↗

Carbonyl Identification and Quantification Uncertainties for Oxidative Polymer Degradation

The most revealing indicator for oxidative processes or state of degraded plastics is usually carbonyl formation, a key step in materials degradation as part of the carbon cycle for man-made materials. Hence, the identification and quantification of carbonyl species with infrared spectroscopy have been the method of choice for generations, thanks to their strong absorbance and being an essential intermediate in carbon oxidation pathways. Despite their importance, precise identification and quantification can be challenging and rigorous fully traceable data are surprisingly rare in the existing literature. An overview of the complexity of carbonyl quantification is presented by the screening of reference compounds in solution with transmission and polymer films with ATR IR spectroscopy, and systematic data analyses. Significant variances in existing data and their past use have been recognized. Guidance is offered how better measurements and data reporting could be accomplished. Experimental variances depend on the combination of uncertainty in exact carbonyl species, extinction coefficient, contributions from neighboring convoluting peaks, matrix interaction phenomena and instrumental variations in primary IR spectral acquisition (refractive index and penetration depth for ATR measurements). In addition, diverging sources for relevant extinction coefficients may exist, based on original spectral acquisition. For common polymer degradation challenges, a relative comparison of carbonyl yields for a material is easily accessible, but quantification for other purposes, such as degradation rates and spatially dependent interpretation, requires thorough experimental validation. All variables featured in this overview demonstrate the significant error margins in carbonyl quantification, with exact carbonyl species and extinction coefficients already being major contributors on their own.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Trilinos: Enabling Scientific Computing across Diverse Hardware Architectures at Scale

Trilinos is a community-developed, open-source software framework that facilitates building large-scale, complex, multiscale, multiphysics simulation code bases for scientific and engineering problems. Since the Trilinos framework has undergone substantial changes to support new applications and new hardware architectures, this document is an update to “An Overview of the Trilinos project” by Heroux et al. (ACM Transactions on Mathematical Software, 31(3):397–423, 2005). It describes the design of Trilinos, introduces its new organization in product areas, and highlights established and new features available in Trilinos. Particular focus is put on the modernized software stack based on the Kokkos ecosystem to deliver performance portability across heterogeneous hardware architectures. This article also outlines the organization of the Trilinos community and the contribution model to help onboard interested users and contributors.

Heterogeneous Hardware Architectures↗

Substantially positive contributions of new particle formation to cloud condensation nuclei under low supersaturation in China based on numerical model improvements

New particle formation (NPF) and subsequent particle growth are important sources of condensation nuclei (CN) and cloud condensation nuclei (CCN). While many observations have shown positive contributions of NPF to CCN at low supersaturation, negative NPF contributions were often simulated in polluted environments. Using the observations in a coastal city of Qingdao, Beijing, and Gucheng in north China, we thoroughly evaluate the simulated number concentrations of CN and CCN using an NPF-explicit parameterization embedded in the WRF-Chem model. For CN, the initial simulation shows large biases of particle number concentrations at 10–40 and 40–100 nm. By adjusting the process of gas–particle partitioning, including the mass accommodation coefficient (MAC) of sulfuric acid, the phase changes in primary organic aerosol emissions, and the condensational amount of nitric acid, the improvement of the particle growth process yields substantially reduced overestimation of CN. Regarding CCN, secondary organic aerosol (SOA) formed from the oxidation of semi-volatile and intermediate-volatility organic compounds (S/IVOCs) is called SI-SOA, the yield of which is an important contributor. At default settings, the SI-SOA yield is too high without considering the differences in precursor oxidation rates. Lowering the SI-SOA yield under linear H 2 SO 4 nucleation scheme results in much-improved CCN simulations compared to observations. On the basis of the bias-corrected model, we find substantially positive contributions of NPF to CCN at low supersaturation (~ 0.2 %) over broad areas of China, primarily due to competing effects of increasing particle hygroscopicity, a result of reductions in SI-SOA amount, surpassing that of particle size decreases. The bias-corrected model is robustly applicable to other schemes, such as the quadratic H 2 SO 4 nucleation scheme, in terms of CN and CCN, though the dependence of CCN on SI-SOA yield is diminished likely due to changes in particle composition. This study highlights potentially much larger NPF contributions to CCN on a regional and even global basis.

54 ENVIRONMENTAL SCIENCES↗

Correction to “Greenhouse Gas and Air Pollutant Emissions from Composting”

Composting can divert organic waste from landfills, reduce landfill methane emissions, and recycle nutrients back to soils. However, the composting process is also a source of greenhouse gas and air pollutant emissions. Researchers, regulators, and policy decision-makers all rely on emissions estimates to develop local emissions inventories and weigh competing waste diversion options, yet reported emission factors are difficult to interpret and highly variable. This review explores the impacts of waste characteristics, pretreatment processes, and composting conditions on CO 2 , CH 4 , N 2 O, NH 3 , and VOC emissions by critically reviewing and analyzing 388 emission factors from 46 studies. The values reported to date suggest that CH 4 is the single largest contributor to 100-year global warming potential (GWP100) for yard waste composting, comprising approximately 80% of the total GWP 100 . For nitrogen-rich wastes including manure, mixed municipal organic waste, and wastewater treatment sludge, N 2 O is the largest contributor to GWP 100 , accounting for half to as much as 90% of the total GWP 100 . If waste is anaerobically digested prior to composting, N 2 O, NH 3 , and VOC emissions tend to decrease relative to composting the untreated waste. Effective pile management and aeration are key to minimizing CH 4 emissions. However, forced aeration can increase NH 3 emissions in some cases.

54 ENVIRONMENTAL SCIENCES↗

Greenhouse Gas and Air Pollutant Emissions from Composting

Composting can divert organic waste from landfills, reduce landfill methane emissions, and recycle nutrients back to soils. However, the composting process is also a source of greenhouse gas and air pollutant emissions. Researchers, regulators, and policy decision-makers all rely on emissions estimates to develop local emissions inventories and weigh competing waste diversion options, yet reported emission factors are difficult to interpret and highly variable. This review explores the impacts of waste characteristics, pretreatment processes, and composting conditions on CO 2 , CH 4 , N 2 O, NH 3 , and VOC emissions by critically reviewing and analyzing 388 emission factors from 46 studies. The values reported to date suggest that CH 4 is the single largest contributor to 100-year global warming potential (GWP 100 ) for yard waste composting, comprising approximately 80% of the total GWP 100 . For nitrogen-rich wastes including manure, mixed municipal organic waste, and wastewater treatment sludge, N 2 O is the largest contributor to GWP 100 , accounting for half to as much as 90% of the total GWP 100 . If waste is anaerobically digested prior to composting, N 2 O, NH 3 , and VOC emissions tend to decrease relative to composting the untreated waste. Effective pile management and aeration are key to minimizing CH 4 emissions. However, forced aeration can increase NH 3 emissions in some cases.

54 ENVIRONMENTAL SCIENCES↗

Plant Roots and the Fate of Mineral-Associated Soil Carbon (Final Report)

Atmospheric CO 2 concentrations continue to rise due to human activities, but there are also natural mechanisms operating in ecosystems that can store carbon in soil long-term. The organic carbon derived from organisms in soil becomes associated with minerals, where it can be protected for thousands of years. Plants are particularly important contributors of carbon belowground, via their roots. The long-term protection of carbon contributed to soil has great value to humans as climate change looms. But, to keep growing, living plants and soil microbes also need to be able to access and recycle soil nutrients that are stored along with the carbon. In this DOE-funded work, Cardon (MBL), Keiluweit (UMass Amherst/University of Lausanne), Malmstrom (MSU), and Riley (LBNL) used lab and greenhouse experiments coupled with mathematical modeling to determine mechanisms by which plant roots and their associated microbes can dislodge organic matter from soil minerals, making its components available for recycling, but also making its carbon vulnerable to re-release to the atmosphere as CO 2 .

54 ENVIRONMENTAL SCIENCES↗

Differential Trends in Iron Concentrations of Boreal Streams Linked to Catchment Characteristics

Increasing iron (Fe) concentrations have been reported for freshwaters across northern Europe over the last decades. This increase, together with elevated concentrations of dissolved organic carbon (DOC), leads to browning of freshwaters, which affects aquatic organisms, ecosystem functioning, biogeochemical cycles, and brings challenges to drinking water production. However, how such increasing trends in stream Fe concentrations reflect the contribution of different catchment sources remains poorly resolved. Here, we explored how catchment characteristics, that is, mires and coniferous soils, regulate spatial and temporal patterns of Fe in a boreal stream network. For this, we determined Fe speciation in riparian and mire soils, and studied temporal Fe dynamics in soil-water and stream-water over a span of 18 years. Positive Fe trends were found in the solution of the riparian soil, while no long-term trend was observed in the mire. These differences were reflected in stream-water, where three headwater streams dominated by coniferous cover also displayed positive Fe trends, whereas the mire dominated stream showed no trend. Surprisingly, the majority of higher order streams showed declining Fe trends, despite long-term increases in DOC. In addition, we found that an extreme drought event led to a prolonged release of Fe and DOC from the riparian soils, that could have long-term effects on stream Fe concentrations. Our results show that riparian forest soils can be major contributors to ongoing increases in freshwater Fe concentrations and that drought can further promote the release of Fe from organic soils.

54 ENVIRONMENTAL SCIENCES↗

Editorial: Phenylpropanoid Systems Biology and Biotechnology

Phenylpropanoids are specialized metabolites involved in several aspects of plant growth and development and in the responses of plants to environmental stimuli. These compounds are synthesized from key intermediates of the shikimate pathway, which are structurally modified by the combined activities of lyases, transferases, ligases, reductases and oxygenases, resulting in the organ- and developmental-specific synthesis and accumulation of diverse metabolites (Vogt, 2010). The phenylpropanoid pathway provides the building blocks for lignin, suberin, and condensed tannins that play a role in structural support and mechanical strength. Lignin is a major contributor to feedstock recalcitrance and negatively affects the conversion of plant biomass into downstream products in biorefineries (Liu et al., 2021). Further, this pathway is key for the production of anthocyanins for organ pigmentation, flavonols and flavones for UV protection, various flavonoids and isoflavonoids for plant-microbe interactions, and antimicrobial phytoalexins for protection against pathogens (Deng and Lu, 2017). In addition to their biological functions in planta, phenylpropanoids are economically important metabolites. They constitute important components in the human diet, acting as nutraceutical compounds with antioxidant, chemopreventive, antimitotic, neuroprotective, cardioprotective, and anti-inflammatory activities. Several phenylpropanoids are considered high-value biochemicals employed in the production of fragrances, pharmaceuticals and biopolymers (Lin and Eudes, 2020).

59 BASIC BIOLOGICAL SCIENCES↗