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DOE OSTI2025

Observations of Subduction, Downward Heat Flux and Dense Filament Collapse in the Northern Gulf of Mexico

Submesoscale processes are important contributors to the global heat budget and generally support upward heat transport through restratification. However, in salinity‐stratified regions, such as the northern Gulf of Mexico with its influx of freshwater from the Mississippi‐Atchafalaya river system, temperature can act like a passive tracer and submesoscale processes can contribute to downward heat transport. Oceanic heat content is a factor in many environmental risks the region faces, for example, hurricane intensification, and marine heatwaves. During the 2022 field campaign of the Submesoscales Under Near‐Resonant Inertial Shear Experiment, a sampling plan was developed to study such submesoscale processes in high resolution. Over 31 hr, four assets (two research ships and two remotely controlled boats) drove in parallel across a dense filament, capturing its evolution in time and space. The observations show that surface waters, warmed by daytime solar radiation, were subducted and that the associated overturning circulation transported heat below the surface layer where it was later irreversibly mixed away. The estimated downward heat flux was as strong as the concurrent net air‐sea heat flux into the ocean. The filament was then observed to rapidly collapse which we attribute to boundary layer turbulence and the breakdown of geostrophic balance. The collapsing fronts display behaviors indicative of gravity currents. These observations highlight how in salinity‐stratified regions, frontal dynamics can be associated with downward heat flux and how the submesoscale can play an important role in the oceanic heat budget.

58 GEOSCIENCES↗

DOE OSTI2025

Emergence and disruption of cooperativity in a denitrifying microbial community

Anthropogenic perturbations to the nitrogen cycle, primarily through use of synthetic fertilizers, is driving an unprecedented increase in the emission of nitrous oxide (N 2 O), a potent greenhouse gas and an ozone depleting substance, causing urgency in identifying the sources and sinks of N 2 O. Microbial denitrification is a primary contributor to biotic production of N 2 O in anoxic regions of soil, marine systems, and wastewater treatment facilities. Here, through comprehensive genome analysis, we show that pathway partitioning is a ubiquitous mechanism of complete denitrification within microbial communities. We have investigated mechanisms and consequences of process partitioning of denitrification through detailed physiological characterization and kinetic modeling of a synthetic community of Rhodanobacter thiooxydans FW510-R12 and Acidovorax sp. GW101-3H11. We have discovered that these two bacterial isolates, from a heavily nitrate (NO 3 − ) contaminated superfund site, complete denitrification through the exchange of nitrite (NO 2 − ) and nitric oxide (NO). The process partitioning of denitrification and other processes, including amino acid metabolism, contribute to increased cooperativity within this denitrifying community. We demonstrate that certain contexts, such as high NO 3 − , cause unbalanced growth of community members, due to differences in their substrate utilization kinetics. The altered growth characteristics of community members drives accumulation of toxic NO 2 − , which disrupts denitrification causing N 2 O off gassing.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

The 200 Gbps Challenge: Imagining HL-LHC analysis facilities

The IRIS-HEP software institute, as a contributor to the broader HEP Python ecosystem, is developing scalable analysis infrastructure and software tools to address the upcoming HL-LHC computing challenges with new approaches and paradigms, driven by our vision of what HL-LHC analysis will require. The institute uses a "Grand Challenge" format, constructing a series of increasingly large, complex, and realistic exercises to show the vision of HL-LHC analysis. Recently, the focus has been demonstrating the IRIS-HEP analysis infrastructure at scale and evaluating technology readiness for production. As a part of the Analysis Grand Challenge activities, the institute executed a "200 Gbps Challenge", aiming to show sustained data rates into the event processing of multiple analysis pipelines. The challenge integrated teams internal and external to the institute, including operations and facilities, analysis software tools, innovative data delivery and management services, and scalable analysis infrastructure. The challenge showcases the prototypes - including software, services, and facilities - built to process around 200 TB of data in both the CMS NanoAOD and ATLAS PHYSLITE data formats with test pipelines. The teams were able to sustain the 200 Gbps target across multiple pipelines. The pipelines focusing on event rate were able to process at over 30 MHz. These target rates are demanding; the activity revealed considerations for future testing at this scale and changes necessary for physicists to work at this scale in the future. The 200 Gbps Challenge has established a baseline on today's facilities, setting the stage for the next exercise at twice the scale.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Burning conditions and transportation pathways determine biomass-burning aerosol properties in the Ascension Island marine boundary layer

Abstract. African biomass-burning aerosol (BBA) in the southeast Atlantic Ocean (SEA) marine boundary layer (MBL) is an important contributor to Earth's radiation budget, yet its representation remains poorly constrained in regional and global climate models. Data from the Layered Atlantic Smoke Interactions with Clouds (LASIC) field campaign on Ascension Island (7.95° S, 14.36° W) provide insight into how burning conditions, fuel type, transport pathways, and atmospheric processing affect the chemical, microphysical, and optical properties of BBA between June and September 2017. A total of 10 individual plume events characterize the seasonal evolution of the BBA properties. Early-season inefficient fires, determined by low refractory black carbon to above-background carbon monoxide mixing ratios (rBC : ΔCO), led to enhanced concentrations of organic- and sulfate-rich aerosols. Mid-season efficient fires, determined by higher rBC : ΔCO values, led to rBC-enriched BBA. A mix of efficient and inefficient fires later in the season resulted in conflicting BBA properties. Prolonged transport (∼ 10 d) through the MBL and lower free troposphere (FT) facilitated chemical and aqueous-phase processing, which led to a reduction in organic aerosol mass concentrations. This resulted in lower organic aerosol (OA) to rBC (OA : rBC) mass ratios (2–5) in the MBL compared to higher values (5–15) in the nearby FT. These atmospheric and cloud oxidation processes yield more light-absorbing BBA and explain the notably low single-scattering albedo at 530 nm (SSA530) values (< 0.80) observed in the MBL. This study establishes a robust correlation between SSA530 and OA : rBC across the MBL and FT, underscoring the dependency of optical properties on chemical composition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Multimodal Freight Energy Model for Emerging Freight Technology Analysis

While freight movement represents a small portion of the volume in the transportation sector, they are a critical contributor for energy consumed in that sector. To reduce logistics costs, energy consumption and negative environmental impact, emerging technologies, such as digitalization of logistics and alternative powertrain, have been developed and extended applications in freight. These trends are expected to grow and provide opportunities for greater efficiencies in freight movement and corresponding energy use. Still, the complexity of freight systems present challenges in evaluating these benefits, especially in the multimodal inter-city freight. Addressing the research need, this paper develops a multimodal freight energy modeling framework for the analysis of emerging freight technology scenarios. The framework is a bi-level optimization problem: network cost minimization problem (lower-level) and energy minimization problem (upper-level). The lower-level problem is a mode-path assignment problem in multimodal inter-city freight networks, where commodity-specific congestion effects on trans-shipment links are considered. For this model, an inverse modeling approach is applied to infer parameters of the lower-level model. The upper-level problem is designed to search for an optimal scenario that has the lowest energy consumption among different levels of technology applications. The proposed model is empirically tested to analyze truck load-pooling and multimodal load-pooling scenarios through stand-alone and mixed applications using freight shipments originating from or destined to the Chicago region. This framework can be used to explore the impact of emerging freight technologies on mode-path freight flow and energy consumption in the national multimodal freight network.

ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2024

Carbon- and Oxygen-rich stars in MaStar: identification and classification

ABSTRACT Carbon- and Oxygen-rich stars populating the Thermally Pulsing Asymptotic Giant Branch (TP-AGB) phase of stellar evolution are relevant contributors to the spectra of ∼1 Gyr old populations. Atmosphere models for these types are uncertain, due to complex molecules and mass-loss effects. Empirical spectra are then crucial, but samples are small due to the short (∼3 Myr) TP-AGB lifetime. Here we exploit the vastness of the MaNGA Stellar library MaStar (∼60 000 spectra) to identify C and O-rich type stars. We define an optical colour selection with cuts of (g − r) > 2 and (g − i) < 1.55(g − r) − 0.07, calibrated with known C- and O-rich spectra. This identifies C- and O-rich stars along clean, separated sequences. An analogue selection is found in V, R, I bands. Our equation identifies C-rich and O-rich spectra with predictive performance metric F1-scores of 0.72 and 0.74 (over 1), respectively. We finally identify 41 C- and 87 O-rich type AGB stars in MaStar, 5 and 49 of which do not have a SIMBAD counterpart. We also detect a sample of non-AGB, dwarf C-stars. We further design a fitting procedure to classify the spectra into broad spectral types, by using as fitting templates empirical C- and O-rich spectra. We find remarkably good fits for the majority of candidates and categorize them into C- and O-rich bins following existing classifications, which correlate to effective temperature. Our selection models can be applied to large photometric surveys (e.g. Euclid, Rubin). The classified spectra will facilitate future evolutionary population synthesis models.

Hill, Lewis (ORCID:0000000180528080)↗

DOE OSTI2026

Experimental protocol for phase 1 of the APARC QUOCA (QUasibiennial oscillation and Ozone Chemistry interactions in the Atmosphere) working group

The quasi-biennial oscillation (QBO) is the main mode of variability in the tropical stratosphere, influencing the predictability of other regions in the atmosphere through its teleconnections to the stratospheric polar vortices and coupling to surface tropical and extratropical variability. However, climate and forecasting models consistently underestimate QBO amplitudes in the lower stratosphere, likely contributing to their failure to simulate these teleconnections. One underexplored contributor to model biases is missing representation of ozone-radiative feedbacks, which enhance temperature variability in the lower stratosphere, particularly at periods at and greater than the QBO (>28 months). While previous studies suggest that ozone-radiative feedbacks can impact QBO periods, amplitudes and the associated secondary circulation in the lower stratosphere, the reported impacts differ widely among models and are hard to interpret due to differences in methodology. To this end, here we propose a coordinated experimental protocol – held joint between the Atmospheric Processes and their Role in Climate (APARC) Quasi-Biennial Oscillation Initiative (QBOi) and Chemistry Climate Modeling Initiative (CCMI) activities – which is aimed at assessing the coupling between stratospheric ozone, temperature and the circulation. We use the proposed experiments to define the ozone feedback on the QBO in both present-day and idealized (abrupt quadrupling of carbon dioxide) climates. While primary focus is on the QBO, the proposed protocol also enables analysis of other aspects of ozone-radiative-dynamical coupling in the atmosphere, including impacts on the Brewer-Dobson Circulation and tropospheric eddy-driven jet responses to future climate change. Here we document the scientific rationale and design of the QUOCA Phase 1 experiments, summarize the data request, and give a brief overview of participating models. Preliminary results using the NASA Goddard Institute for Space Studies E2-2 climate model are used to illustrate sensitivities to certain methodological choices.

Environmental sciences↗

DOE OSTI2024

Steric Sea Level Rise and Relationships with Model Drift and Water Mass Representation in GFDL CM4 and ESM4

Abstract Density-driven steric seawater changes are a leading-order contributor to global mean sea level rise. However, intermodel differences in the magnitude and spatial patterns of steric sea level rise exist at regional scales and often emerge during the spinup and preindustrial control integrations of climate models. Steric sea level results from an eddy-permitting climate model, GFDL CM4, are compared with a lower-resolution counterpart, GFDL-ESM4. The results from both models are examined through basin-scale heat budgets and watermass analysis, and we compare the patterns of ocean heat uptake, redistribution, and sea level differ in ocean-only [i.e., Ocean Model Intercomparison Project (OMIP)] and coupled climate configurations. After correcting for model drift, both GFDL CM4 and GFDL-ESM4 simulate nearly equivalent ocean heat content change and global sea level rise during the historical period. However, the GFDL CM4 model exhibits as much as a 40% increase in surface ocean heat uptake in the Southern Ocean and subsequent increases in horizontal export to other ocean basins after bias correction. The results suggest regional differences in the processes governing Southern Ocean heat export, such as the formation of Antarctic Intermediate Water (AAIW), Subpolar Mode Water (SPMW), and gyre transport between the two models, and that sea level changes in these models cannot be fully bias-corrected. Since the process-level differences between the two models are evident in the preindustrial control simulations of both models, these results suggest that the control simulations are important for identifying and correcting sea level–related model biases.

Krasting, John P. [a NOAA/OAR/Geophysical Fluid Dy↗

DOE OSTI2024

Association Kinetics for Perfluorinated n -Alkyl Radicals

Radical-radical reaction channels are important in the pyrolysis and oxidation chemistry of perfluoroalkyl substances (PFAS). In particular, unimolecular dissociation reactions within unbranched n-perfluoroalkyl chains, and their corresponding reverse barrierless association reactions, are expected to be significant contributors to the gas-phase thermal decomposition of families of species such as perfluorinated carboxylic acids and perfluorinated sulfonic acids. Unfortunately, experimental data for these reactions are scarce and uncertain. Furthermore, obtaining reliable theoretical predictions for such reactions is a laborious and computationally intensive task. Here, in this work, the chemical kinetics of the various association/decomposition reactions producing/decomposing the C 2 -C 4 series of unbranched n-perfluoroalkanes (C 2 F 6 , C 3 F 8 , and C 4 F 10 ) are examined using state-of-the-art ab initio transition-state-theory-based master-equation calculations. The variable-reaction-coordinate transition-state theory (VRC-TST) formalism is employed in computing the microcanonical and canonical rates for the association reactions. Reaction thermochemistry is obtained via composite quantum chemistry calculations and the laddering of error-canceling reaction schemes via a connectivity-based hierarchy approach employing ANL1/ANL0-style reference energies. Lennard-Jones collision model parameters for the considered systems were estimated by a direct dynamics approach, and collisional energy transfer parameters were obtained from analogies to systems of similar size and heavy-atom connectivity. A one-dimensional master equation approach was used to convert the microcanonical rate coefficients from the VRC-TST analysis into temperature- and pressure-dependent rate constants for the association reactions and the reverse dissociation reactions. The data are reported in standardized formats for usage in comprehensive chemical kinetic models for PFAS thermal destruction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Water Column Respiration in the Yakima River Basin is Explained by Temperature, Nutrients and Suspended Solids

Understanding aquatic ecosystem metabolism involves the study of two key processes: carbon fixation via primary production and organic C mineralization as total ecosystem respiration (ERtot). In streams and rivers, ERtot includes respiration in the water column (ERwc) and in the sediments (ERsed). While literature surveys suggest that ERsed is often a dominant contributor to ERtot, recent studies indicate that the relative influence of sediment-associated processes versus water column processes can fluctuate along the river continuum. Still, a comprehensive understanding of the factors contributing to these shifts within basins and across stream orders is needed. Here we contribute to this need by measuring ERwc and collecting water samples across 47 sites in the Yakima River basin, Washington, USA. We found that ERwc rates varied throughout the basin during baseflow conditions, ranging from –7.38 to 0.36 g O2 m?3 d?1, and encompassed the range of ERwc literature values. Additionally, by comparing to ERtot estimates for rivers across the contiguous United States, we suggest that the contribution of ERwc rates to reach-scale ERtot rates across the Yakima River was likely highly variable, but we did not test this directly. We observed that temperature, nutrient concentrations (dissolved organic carbon, total dissolved nitrogen), and total suspended solids explained 41% of ERwc variability across the basin. Our findings highlight the potential relevance of water column processes in aquatic ecosystem metabolism, with the Yakima River basin serving as an environmentally diverse river network representative of the larger Columbia River basin that spans much of the Pacific Northwest region of the United States. Our results are generally congruent with previous work, suggesting that the observed variability and suite of associated environmental factors influencing ERwc are potentially transferable across basins.

Laan, Maggi M.↗

DOE OSTI2025

Greenhouse gas emissions of global construction material production

Abstract Global production of building materials is a primary contributor to greenhouse gas (GHG) emissions, but the production of these materials is necessary for modern infrastructure and society. Understanding the GHG emissions from building materials production in the context of their function is critical to decarbonizing this important sector. In this work, we present estimates of global production, approximate ranges of GHG emissions, and ranges of material properties of 12 critical building material classes to provide a unified dataset across material types. This dataset drew from industry analyses of production and emissions, ranges of emission factors within a material type, and broad reporting of thermal and mechanical properties to compare both within and between material types. Globally, in 2019, we estimate 42.8 Gt of these 12 materials were produced, with 38.6 Gt used in the building and construction industry. As a result of this production, 9.3 Gt of CO 2 was emitted, or 25% of global fossil GHG emissions, with 5.8 Gt CO 2 (16% of global GHG emissions) due to materials used in construction applications. Both construction material production and emissions are primarily driven by structural materials, such as concrete and steel. Material selection can play a key role in reducing emissions in the context of the function, with variation in emissions of structural materials per unit strength between 0.001–0.1 kg CO 2 /kg/MPa and in insulation materials per R -value/thickness of 0.018–0.14 kg CO 2 /kg/(K⋅m 2 W −1 ))). The developed dataset can play a key role in supporting decision-making in materials by providing a unified source for examining emissions, material properties, and quantity of material produced.

Kane, Seth (ORCID:0000000269401369)↗

DOE OSTI2025

Magnetically Driven Neutron-rich Ejecta Unleashed: Global 3D Neutrino–General Relativistic Magnetohydrodynamic Simulations of Collapsars Probe the Conditions for r -process Nucleosynthesis

Abstract Collapsars—rapidly rotating stellar cores that form black holes—can power gamma-ray bursts and are proposed to be key contributors to the production of heavy elements in the Universe via the rapid neutron capture process ( r -process). Previous neutrino-transport collapsar simulations have been unable to unbind neutron-rich material from the disk. However, these simulations have not included sufficiently strong magnetic fields and the black hole (BH), both of which are essential for launching mass outflows. We present ν h-amr , a novel neutrino-transport general relativistic magnetohydrodynamic ( ν GRMHD) code, which we use to perform the first 3D global ν GRMHD collapsar simulations. We find a self-consistent formation of a weakly magnetized dense accretion disk, which has sufficient time to neutronize. Eventually, substantial magnetic flux accumulates near the BH, becomes dynamically important, leads to a magnetically arrested disk (MAD), and unbinds some of the neutron-rich material. However, the strong flux also hinders accretion, lowers density, and increases neutrino-cooling timescale, which prevents further disk neutronization. Typical collapsar progenitors with mass accretion rates, M ̇ ∼ 0.1 − 1 M ⊙ s - 1 , do not produce significant neutron-rich ( Y e < 0.25) ejecta. However, we find that MADs at higher mass accretion rates, M ̇ ≳ few M ⊙ s - 1 (e.g., for more centrally concentrated progenitors), can unbind M ej ≲ M ⊙ of neutron-rich ejecta. The outflows inflate a shocked cocoon that mixes with the infalling neutron-poor stellar gas and raises the final outflow Y e ; however, the final r -process yield may be determined earlier at the point of neutron capture freeze-out. Future work will explore under what conditions more typical collapsar engines become r -process factories.

Issa, Danat (ORCID:0009000524787631)↗

DOE OSTI2021

Elucidation of trophic interactions in an unusual single-cell nitrogen-fixing symbiosis using metabolic modeling

Marine nitrogen-fixing microorganisms are an important source of fixed nitrogen in oceanic ecosystems. The colonial cyanobacterium Trichodesmium and diatom symbionts were thought to be the primary contributors to oceanic N 2 fixation until the discovery of the unusual uncultivated symbiotic cyanobacterium UCYN-A ( Candidatus Atelocyanobacterium thalassa ). UCYN-A has atypical metabolic characteristics lacking the oxygen-evolving photosystem II, the tricarboxylic acid cycle, the carbon-fixation enzyme RuBisCo and de novo biosynthetic pathways for a number of amino acids and nucleotides. Therefore, it is obligately symbiotic with its single-celled haptophyte algal host. UCYN-A receives fixed carbon from its host and returns fixed nitrogen, but further insights into this symbiosis are precluded by both UCYN-A and its host being uncultured. In order to investigate how this syntrophy is coordinated, we reconstructed bottom-up genome-scale metabolic models of UCYN-A and its algal partner to explore possible trophic scenarios, focusing on nitrogen fixation and biomass synthesis. Since both partners are uncultivated and only the genome sequence of UCYN-A is available, we used the phylogenetically related Chrysochromulina tobin as a proxy for the host. Through the use of flux balance analysis (FBA), we determined the minimal set of metabolites and biochemical functions that must be shared between the two organisms to ensure viability and growth. We quantitatively investigated the metabolic characteristics that facilitate daytime N 2 fixation in UCYN-A and possible oxygen-scavenging mechanisms needed to create an anaerobic environment to allow nitrogenase to function. This is the first application of an FBA framework to examine the tight metabolic coupling between uncultivated microbes in marine symbiotic communities and provides a roadmap for future efforts focusing on such specialized systems.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

Investigation of the Microquasar SS 433 with VERITAS

Microquasars such as SS 433 are considered potential contributors to cosmic rays up to the knee of the cosmic-ray energy spectrum (∼4 PeV), where a transition in the dominant acceleration processes is expected. The SS 433 system, located within the W50 supernova remnant, is a Galactic microquasar with relativistic jets interacting with the surrounding medium over parsec scales, providing an example for studying jet-driven particle acceleration. A deep morphological and spectral study of SS 433 is performed using more than 150 hr of observations with VERITAS, sensitive to γ-ray energies >100 GeV. With an angular resolution better than 0$^°_.$1, extended TeV γ-ray emission is resolved from both the eastern and western jet lobes, located tens of parsecs from the central binary. The emission appears elongated along the jet axis and coincides with regions where the jets interact with the surrounding supernova remnant. No TeV emission is detected from the central binary, nor is significant emission observed between the central binary and the jet lobes. Phase-resolved analyses show no evidence for variability in the orbital or precessional phase, supporting a steady emission scenario. The observed morphology and spectra are consistent with scenarios where particles are accelerated in the lobes of the jets, possibly through shocks or alternative processes such as magnetic reconnection. The extended TeV emission from the jet lobes of SS 433 favors a leptonic origin in the VERITAS energy range, suggesting that any hadronic acceleration is subdominant. The results offer valuable constraints on how microquasar jets may contribute to the Galactic cosmic-ray population toward the knee.

Archer, A. [DePauw University, Greencastle, IN (Un↗

DOE OSTI2025

Microstructure and CPO evolution of dynamically recrystallized olivine during complex deformation conditions: a full-field numerical modeling approach

The rheological properties of mantle rocks are strongly dependent on their crystallographic preferred orientation (CPO). Olivine CPO, defined by the orientation of seismically fast [100] axes parallel to flow direction, is also thought to be a dominant contributor to seismic anisotropy in the Earth's upper mantle. However, the amount of deformation needed to overprint a new CPO on a pre-existing fabric and the impact of the inherited CPOs on the transient microstructure evolution, remain unknown. This study employs a full-field numerical approach (VPFFT-ELLE) to explore the dynamic recrystallization and microstructural evolution of olivine polycrystalline aggregates under complex deformation conditions. We test four combinations of successive pure shear and simple shear boundary conditions. Findings indicate that inherited CPOs influence subsequent deformation in a manner dependent on the kinematic relationship between successive stages. In all cases, a minor strain increment (ε ∼0.3–0.6) is sufficient to erase the previous microstructure and CPO. However, when deformation conditions change dramatically (e.g., stretching direction changes orthogonally), the intensity of the new CPO developed is significantly lower and strain distribution are specially altered. During a transient strain stage, pre-existing microstructures undergo extensive reworking, especially when deformation conditions are changed dramatically, such as switching from simple shear to a pure shear condition with a parallel shortening direction relative to the stretching direction. We estimate the significance of these results in interpreting observations of seismic velocity anisotropy, concluding that P-wave seismic anisotropy is significantly and positively correlated with the evolution of olivine CPO with deformation history. This research underscores the transient nature of microstructural rearrangement in olivine aggregates and the necessity for caution in interpreting seismic anisotropy in regions with complex deformation histories, as inherited CPOs can influence current fabric development and induce deviation to the present deformation conditions.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Assessing the design of integrated methane sensing networks

Abstract While methane is the second largest contributor to global warming after carbon dioxide, it has a larger warming effect over a much shorter lifetime. Despite accelerated technological efforts to radically reduce global carbon dioxide emissions, rapid reductions in methane emissions are needed to limit near-term warming. Being primarily emitted as a byproduct from agricultural activities and energy extraction, methane is currently monitored via bottom–up (i.e. activity level) or top–down (via airborne or satellite retrievals) approaches. However, significant methane leaks remain undetected and emission rates are challenging to characterize with current monitoring frameworks. In this paper, we study the design of a layered monitoring approach that combines bottom–up and top–down approaches as an integrated sensing network. By recognizing that varying meteorological conditions and emission rates impact the efficacy of bottom–up monitoring, we develop a probabilistic approach to optimal sensor placement in its bottom–up network. Subsequently, we derive an inverse Bayesian framework to quantify the improvement that a design-optimized integrated framework has on emission-rate quantifications and their uncertainties. We find that under realistic meteorological conditions, the overall error in estimating the true emission rates is approximately 1.3 times higher, with their uncertainties being approximately 2.4 times higher, when using a randomized network over an optimized network, highlighting the importance of optimizing the design of integrated methane sensing networks. Further, we find that optimized networks can improve scenario coverage fractions by more than a factor of 2 over experimentally-studied networks, and identify a budget threshold beyond which the rate of optimized-network coverage improvement exhibits diminishing returns, suggesting that strategic sensor placement is also crucial for maximizing network efficiency.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Cost and life cycle analysis for deep CO 2 emissions reduction of steelmaking: Blast furnace-basic oxygen furnace and electric arc furnace technologies

Iron and steel manufacturing is the largest contributor to CO 2 emissions among heavy industries worldwide. This is mostly due to the use of coal in blast furnace-basic oxygen furnace (BF-BOF) process for virgin (primary) steel production. The electricity generation mix used in the electric arc furnace (EAF) process to recycle scrap steel also contributes to the CO 2 emission associated with secondary steel production. To decarbonize iron and steel sector, we investigated decarbonization options for BF-BOF and EAF processes, including energy efficiency, carbon capture and storage, and the use of clean energy sources, in various BF-BOF and EAF process configurations. Additionally, for each decarbonization approach, we evaluated the CO 2 reduction potential via life cycle analysis (LCA) and estimated the associated cost through techno-economic analysis (TEA). A typical U.S. BF-BOF for virgin steel production has a cradle-to-gate (CTG) CO 2 emissions of 1,990 kg/MT steel with a levelized cost of steel (LCOS) of $\$439$/MT steel, while a typical U.S. EAF process for secondary steel production in the United States has a CTG CO 2 emissions of 270 kg/MT steel with a LCOS of $\$365$/MT steel. Combining renewable energy sources and carbon capture, BF-BOF CTG CO 2 emissions can be reduced to 16 kg/MT steel, and EAF configurations can achieve similar deep reductions to reach 25 kg/MT steel. The corresponding LCOS with these decarbonization levels is estimated to increase to $\$542$/MT steel and $\$348$/MT steel, respectively. The estimated CO 2 avoidance costs vary from -$\$90$/MT CO 2 to $\$646$/MT CO 2 , depending on the various decarbonization technologies and energy prices.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2026

Effect of metal encapsulation on bulk superconducting properties of niobium thin films used in qubits

Niobium metal occupies nearly 100% of the volume of a typical 2D transmon device. While the aluminum Josephson junction is of utmost importance, maintaining quantum coherence across the entire device means that pair-breaking in Nb leads, capacitive pads, and readout resonators can be a major source of decoherence. The established contributors are surface oxides and hydroxides, as well as absorbed hydrogen and oxygen. Metal encapsulation of freshly grown surfaces with non-oxidizing metals, preferably without breaking the vacuum, is a successful strategy to mitigate these issues. While the positive effects of encapsulation are undeniable, it is important to understand its impact on the macroscopic behavior of niobium films. We present a comprehensive study of the bulk superconducting properties of Nb thin films encapsulated with gold and palladium/gold, and compare them to those of bare Nb films. Magneto-optical imaging, magnetization, resistivity, and London and Campbell penetration depth measurements reveal significant differences in encapsulated samples. Both sputtered, and epitaxial Au-capped films exhibit the highest residual resistivity ratio and superconducting transition temperature, as well as the lowest upper critical field, London penetration depth, and critical current. These results are in good agreement with the microscopic theory of anisotropic normal and superconducting states of Nb. We conclude that pair-breaking in the bulk of niobium films, driven by disorder throughout the film rather than just at the surface, is a significant source of quantum decoherence in transmons. We also conclude that gold capping not only passivates the surface but also affects the properties of the entire film, significantly reducing the scattering rate due to defects likely induced by surface diffusion if the film is not protected immediately after fabrication.

Datta, Amlan [Ames Lab; Iowa State U.]↗