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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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355 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Calibration of the charge and energy loss per unit length of the MicroBooNE liquid argon time projection chamber using muons and protons

In this paper, we describe a method used to calibrate the position- and time-dependent response of the MicroBooNE liquid argon time projection chamber anode wires to ionization particle energy loss. The method makes use of crossing cosmic-ray muons to partially correct anode wire signals for multiple effects as a function of time and position, including cross-connected TPC wires, space charge effects, electron attachment to impurities, diffusion, and recombination. The overall energy scale is then determined using fully-contained beam-induced muons originating and stopping in the active region of the detector. Using this method, we obtain an absolute energy scale uncertainty of 2% in data. We use stopping protons to further refine the relation between the measured charge and the energy loss for highly-ionizing particles. This data-driven detector calibration improves both the measurement of total deposited energy and particle identification based on energy loss per unit length as a function of residual range. As an example, the proton selection efficiency is increased by 2% after detector calibration.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

SIF and Vegetation Indices in the US Midwestern Agroecosystems, 2016-2021, Carbon Monitoring System (CMS)

This dataset contains half-hourly ground solar-induced chlorophyll fluorescence (SIF) and vegetation indices including NDVI, EVI, Red edge chlorophyll index, green chlorophyll index, and photochemical reflectance index at seven crop sites in Nebraska and Illinois for the period 2016-2021. Four sites were located at Eddy Covariance (EC) tower sites (sites US-Ne2, US-Ne3, US-UiB, and US-UiC), and three sites were located on private farms (sites Reifsteck, Rund, and Reinhart). The sites were either miscanthus, corn-soybean rotation or corn-corn-soybean rotation. The spectral data for SIF retrieval and hyperspectral reflectance for vegetation index calculation were collected by the FluoSpec2 system, installed near planting, and uninstalled after harvest to collect whole growing-season data. Raw nadir SIF at 760 nm from different algorithms (sFLD, 3FLD, iFLD, SFM) are included. SFM_nonlinear and SFM_linear represent the Spectral fitting method (SFM) with the assumption that fluorescence and reflectance change with wavelength non-linearly and linearly, respectively. Additional data include two SIF correction factors including calibration coefficient adjustment factor (f_cal_corr_QEPRO) and upscaling nadir SIF to eddy covariance footprint factor (ratio_EC footprint, SIF pixel), and measured FPAR from quantum sensors and Rededge NDVI calculated FPAR. The data are provided in comma-separated values (CSV) format.

Ameriflux↗
DOE OSTI2022

A colorimetric method to measure in vitro nitrogenase functionality for engineering nitrogen fixation

Biological nitrogen fixation (BNF) is the reduction of N 2 into NH 3 in a group of prokaryotes by an extremely O 2 -sensitive protein complex called nitrogenase. Transfer of the BNF pathway directly into plants, rather than by association with microorganisms, could generate crops that are less dependent on synthetic nitrogen fertilizers and increase agricultural productivity and sustainability. In the laboratory, nitrogenase activity is commonly determined by measuring ethylene produced from the nitrogenase-dependent reduction of acetylene (ARA) using a gas chromatograph. The ARA is not well suited for analysis of large sample sets nor easily adapted to automated robotic determination of nitrogenase activities. Here, we show that a reduced sulfonated viologen derivative (S 2 V red ) assay can replace the ARA for simultaneous analysis of isolated nitrogenase proteins using a microplate reader. We used the S 2 V red to screen a library of NifH nitrogenase components targeted to mitochondria in yeast. Two NifH proteins presented properties of great interest for engineering of nitrogen fixation in plants, namely NifM independency, to reduce the number of genes to be transferred to the eukaryotic host; and O 2 resistance, to expand the half-life of NifH iron-sulfur cluster in a eukaryotic cell. This study established that NifH from Dehalococcoides ethenogenes did not require NifM for solubility, [Fe-S] cluster occupancy or functionality, and that NifH from Geobacter sulfurreducens was more resistant to O 2 exposure than the other NifH proteins tested. It demonstrates that nitrogenase components with specific biochemical properties such as a wider range of O 2 tolerance exist in Nature, and that their identification should be an area of focus for the engineering of nitrogen-fixing crops.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Accelerating Resilience of the Community through Holistic Engagement and use of Renewables (ARCHER) Planning Framework

The primary objective of the Accelerating Resilience of the Community through Holistic Engagement and Use of Renewables (ARCHER) initiative was to identify and incorporate the unique variations in energy burden, social vulnerability, living conditions, and access to essential services that differ across communities. By accounting for these localized factors—down to the neighborhood level—the project supports more targeted and effective investments in community resilience. The framework seeks to establish practical planning guidance, methods, and performance measures for community energy resilience, integrate community-level and electric utility system resilience planning, and assess its effectiveness through comparison with conventional and operational planning approaches. A key component of the project was its data exchange platform, which is used to evaluate and demonstrate the tools, methodologies, and planning approaches developed through ARCHER. This open-source platform enables developers and vendors of distribution and outage management systems to build upon the research by incorporating its concepts into their own tools and workflows. This capability is enabled by the transparent availability of data, functional requirements, and the underlying information model. The project yielded several important insights. First, meaningful engagement with communities is essential to achieving comprehensive resilience outcomes. Second, resilience planning is most effective when electric grid considerations and broader community needs are addressed in a coordinated manner. Third, the use of platforms that allow for real-time input from communities can enhance utility responsiveness during restoration activities. Fourth, a structured and systematic planning approach can successfully translate ARCHER concepts into practice. Fifth, the development of an integrated metric that reflects both grid performance and community impacts provides a more holistic basis for evaluating resilience. Finally, incorporating community engagement and equity considerations into grid operations is critical, particularly during severe weather events that result in extended outages.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Electronic structure of chromium trihalides beyond density functional theory

In this work, we explore the electronic band structure of freestanding monolayers of chromium trihalides Cr X 3 , X = Cl, Br, I, within an advanced ab initio theoretical approach based on the use of Green's function functionals. We compare the local density approximation with the quasiparticle self-consistent GW (QS GW ) approximation and its self-consistent extension ( QS G W ^ ) by solving the particle-hole ladder Bethe-Salpeter equations to improve the effective interaction W . We show that, at all levels of theory, the valence band consistently changes shape in the sequence Cl → Br → I , and the valence band maximum shifts from the M point to the Γ point. By analyzing the dynamic and momentum-dependent self-energy, we show that QS G W ^ adds to the localization of the systems in comparison with QS GW , thereby leading to a narrower band and reduced amount of halogens in the valence band manifold. Further analysis shows that X = Cl is most strongly correlated, and X = I is least correlated (most bandlike) as the hybridization between Cr d and X p enhances in the direction Cl → Br → I . For CrBr 3 and CrI 3 , we observe remarkable differences between the QS GW and QS G W ^ valence band structures, while their eigenfunctions are very similar. We show that weak perturbations, like moderate strain, weak changes to the d - p hybridization, and adding small U , can flip the valence band structures between these two solutions in these materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Hydrothermal solubility of Dy hydroxide as a function of pH and stability of Dy hydroxyl aqueous complexes from 25 to 250 °C

The rare earth elements (REE) have important applications in green energy technologies. The formation of mineral deposits in geologic systems commonly involves hydrothermal fluids which can mobilize the REE. However, the REE speciation is not well known as a function of pH. The thermodynamic properties of REE hydroxyl complexes used in geochemical models are based on the Helgeson-Kirkham-Flowers (HKF) equation of state parameters which were derived by extrapolation of low temperature experimental and estimated data. In this study, Dy hydroxide solubility experiments are combined with available literature data to improve these models from 25 to 250 °C and optimize the thermodynamic properties of Dy 3+ and Dy hydroxyl complexes using GEMSFITS. Batch-type solubility experiments were conducted from 150 to 250 °C and at saturated water vapor pressure in perchloric acid solutions with initial pH values of 2 to 5 in 0.5 pH unit increments. The measured solubility of Dy hydroxide is retrograde with temperature and decreases with pH. The logarithm of total dissolved Dy molality ranges from –2.3 to –5.3 at 150 °C (pH 4.7–5.5), from –2.4 to –5.6 at 200 °C (pH 3.9–5.1), and from –3.7 to –6.9 at 250 °C (pH of 3.4 and 5.0). The optimized standard partial molal Gibbs energies of formation (Δ f G° T ) derived for Dy 3+ and DyOH 2+ display a close to linear relationship with temperature, fitting with previous optimizations based on DyPO 4 solubility data in the literature. A comparison of the optimized ΔfG°T values for aqueous Dy species with predictions from available HKF parameters indicates significant differences ranging from +11 to –26 kJ/mol between 25 and 250 °C. The experimental fits are used to derive the Dy hydroxide solubility products (K s0 ) and formation constants for the hydrolysis of Dy (β n with n = 1 to 3; Dy 3+ + nOH – = DyOH n 3-n ) as a function of temperature. The optimization method presented yields accurate thermodynamic properties for the Dy 3+ aqua ions and the DyOH 2+ species at the acidic to mildly acidic pH studied whereas more experimental work is needed at near-neutral and alkaline conditions to better constrain the other hydroxyl complexes. Furthermore, the optimized thermodynamic data have a significant impact on geochemical modeling of the mobility and solubility of REE minerals in acidic hydrothermal fluids.

58 GEOSCIENCES↗
DOE OSTI2026

Suppressing CO formation in low-temperature methanol steam reforming via Ce-modified CuZnGa layered oxide catalysts

Cu-based layered double hydroxides (LDHs) are widely recognized as effective catalysts for low-temperature methanol steam reforming, yet achieving high hydrogen productivity together with near-complete suppression of CO formation remains challenging. Here, we report the synthesis and evaluation of a series of CuZnGa LDH-derived catalysts and Ce-modified analogues prepared via an aqueous miscible organic method, which enables high metal dispersion and precise structural control. The optimized CuZnGa catalyst exhibits a hydrogen production rate of 16.9 µmol H 2 ·g cat −1 ·s −1 at 180 °C with an H 2 /CO ratio exceeding 3500, outperforming many state-of-the-art low-temperature systems. Importantly, the incorporation of small amounts of Ce further suppresses CO formation while maintaining high hydrogen productivity. Combined spectroscopic characterization and density functional theory calculations reveal that Ce is incorporated into the LDH lattice by substituting Ga 3+ sites up to a critical threshold, beyond which highly dispersed CeO x species are formed. These species provide mobile lattice oxygen that participates in a Mars-van Krevelen-type pathway, selectively oxidizing CO and suppressing the reverse water-gas shift reaction. This study establishes a clear relationship between Ce speciation, oxygen mobility, and catalytic selectivity in LDH-derived systems. The resulting catalysts demonstrate the potential of interface-engineered Cu-based materials for efficient low-temperature hydrogen production with minimal CO contamination.

09 BIOMASS FUELS↗
DOE OSTI2023

Impact of Thermal Scattering Law on Similarity Assessment in Light-Water or Polyethylene-Moderated Systems

A collaborative effort between Pacific Northwest National Laboratory (PNNL) and Oak Ridge National Laboratory (ORNL) is underway to provide a technical basis and methodology for the criticality safety community to use the sum of fractions (SoF) method for generating limits for mixtures of “selected actinide nuclides” included in the ANSI/ANS 8.15 standard. The PNNL scope in this project is to define a range of mixtures of 233 U, 235 U, and 239 Pu moderated with either light water or polyethylene and to examine the critical masses for these mixtures. The ORNL scope is primarily to provide validation support for these studies. More complete discussion of the project and its validation aspects will be presented at the upcoming International Conference on Nuclear Criticality Safety (ICNC) this Fall in Sendai, Japan. Clear differences in benchmark similarity to application systems as assessed by the integral parameter ck are noted in the validation studies performed as part of this project as a function of moderator. The c k value is a correlation coefficient that represents that amount of shared uncertainty in k eff due to cross sections between two systems. Individual nuclide-reaction contributions between the two systems can be simply summed to arrive at the total c k value. Specifically, the c k values for light-water–moderated solution experiments are higher for a water-moderated application than for a polyethylene-moderated application. This result is neither totally unexpected nor surprising, but the magnitude of the difference was difficult to anticipate. The TSUNAMI sequence, in the SCALE 6.2.4 code package developed by ORNL, was used to generate eigenvalues and reactivity effects with perturbation-theory based approach through sensitivity coefficients for all nuclides in the system with all reactions and energy groups. The TSUNAMI-Indices and Parameters (IP) sequence then uses the sensitivity data generated through TSUNAMI to generate relational parameters (i.e., c k ) to determine the degree of similarity between systems. One detail of the SCALE material and data implementation must be discussed at this point. Several thermal scattering laws (TSLs) are available for 1 H. SCALE uses a different nuclide ID number for each TSL; essentially, each version of 1 H is treated as a unique nuclide. For example, 1 H bound in water ( 1 H-H2O) is assigned the nuclide ID 1001, whereas 1 H bound in polyethylene (h-poly) is assigned the nuclide ID 9001001. The same cross section data are used for all reactions in 1 H, regardless of TSL, except for scattering below the TSL cutoff energy. TSUNAMI-IP treats different nuclide IDs as different nuclides; thus, no uncertainty is shared between 1 H-H2O and h-poly, despite much of the same data, including covariance data, being used for both nuclides. This presents a question: how much of the difference in assessed similarity between water- and polyethylene-moderated systems is due to the moderators, and how much is caused by the treatment of 1 H-H2O and h poly with cross section and covariance data. The extended edits generated by TSUANMI-IP allow for an investigation of this issue specifically, as well as a demonstration of the general techniques available within TSUNAMI to understand the results of the similarity assessment. This paper presents and analyzes the similarity assessment of both water- and polyethylene-moderated systems for a single benchmark: PST-002-001.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Assessing the cumulative effects of nearshore habitat restoration actions for multiple populations of juvenile salmon in Whidbey Basin, Washington: foundation and approach for synthesis and evaluation

Ecosystem restoration is a common tool for re-establishing ecosystem processes, structures, and functions to improve biodiversity and services in coastal and estuarine ecosystems. In the Salish Sea, salmon habitats have been fragmented, reduced in size, and diminished in quality, and the ecosystem processes that form and sustain these habitats have been degraded and disrupted as well. This loss is especially prevalent in estuaries, where up to 90% of former salmon habitat has been lost or compromised. Salmon species are integral to the identities and cultures of people in the Pacific Northwest, yet salmon abundances remain at historic lows, especially in urbanized areas. Recent investments in restoration are creating rearing habitat and repairing lost ecosystem function. However, restoration efforts in this region have largely proceeded at the site scale, with less attention to big-picture thinking regarding how restoration will effectively recover degraded or lost habitats for target species. As a result, no landscape-scale evaluation program exists, and the cumulative benefits of multiple interventions are unknown. We describe innovative methods for science synthesis related to the evaluation of cumulative effects of ecosystem restoration for Pacific salmon, using years of existing, but disparate data. Building from previous work on cumulative effects evaluation and incorporating a hierarchy of hypotheses approach, we propose using causal inference across numerous hypotheses in a framework to assess the cumulative benefits to Pacific salmon from multiple estuarine restoration projects. We present the framework as a method that can be used to address many complex questions and provide examples from the Salish Sea where the approach is being implemented. The framework draws on science synthesis from numerous fields and uses a hierarchy of hypotheses, causal analysis at multiple scales, and a new hierarchy of synthesis for assessing multiple lines of evidence documenting restoration effects on Pacific salmon. We propose causal inference to synthesize dissimilar data streams, in our case, to identify various manifestations of cumulative effects of restoration and benefits to salmon, and to further inform restoration and recovery planning. A unifying framework would allow for the detection of thresholds at which restoration provides measurable improvement and would greatly advance understanding of the effects of restoration on ecosystems.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Stable single-site organonickel catalyst preferentially hydrogenolyses branched polyolefin C–C bonds

Current methods of processing accumulated polyolefin waste typically require harsh conditions, precious metals or high metal loadings to achieve appreciable activities. Here, in this work, we examined supported, single-site organonickel catalysts for polyolefin upcycling. Chemisorption of Ni(COD) 2 (COD, 1,5-cyclooctadiene) onto Brønsted acidic sulfated alumina (AlS) yields a highly electrophilic Ni(I) precatalyst, AlS/Ni(COD) 2 , which is converted under H 2 to the active AlS/Ni II H catalyst. This single-site system exhibits unique hydrogenolysis selectivity that favours cleaving branched polyolefin C–C linkages, enabling the hydrogenolytic separation of polyethylene and isotactic polypropylene (iPP) mixtures. Moreover, AlS/Ni II H remains highly selective and active for hydrogenolysis of iPP admixed with polyvinyl chloride, and the spent catalyst can be repeatedly regenerated by AlEt3 treatment. Experimental mechanistic analysis and density functional theory modelling reveal a turnover-limiting C–C scission pathway featuring β-alkyl transfer and strong olefin binding. These results highlight the potential of nickel-based systems for the selective upcycling of complex plastic waste streams.

green chemistry↗
DOE OSTI2026

Biasing from galaxy trough and peak profiles with the DES Y3 redMaGiC galaxies and the weak lensing mass map

We measure the correspondence between the distribution of galaxies and matter around troughs and peaks in the projected galaxy density, by comparing redMaGiC galaxies (0.15 < z < 0.65) to weak lensing mass maps from the Dark Energy Survey (DES) Y3 data release. We obtain stacked profiles, as a function of angle θ, of the galaxy density contrast δ g and the weak lensing convergence κ, in the vicinity of these identified troughs and peaks, referred to as ‘void’ and ‘cluster’ superstructures. The ratio of the profiles depend mildly on θ, indicating good consistency between the profile shapes. We model the amplitude of this ratio using a function $F(\boldsymbol{\eta }, \theta )$ that depends on cosmological parameters $\boldsymbol{\eta }$, scaled by the galaxy bias. We construct templates of $F(\boldsymbol{\eta }, \theta )$ using a suite of N-body (‘Gower Street’) simulations forward-modelled with DES Y3-like noise and systematics. We discuss and quantify the caveats of using a linear bias model to create galaxy maps from the simulation dark matter shells. We measure the galaxy bias in three lens tomographic bins (near to far): $2.32^{+0.86}_{-0.27}, 2.18^{+0.86}_{-0.23}, 1.86^{+0.82}_{-0.23}$ for voids, and $2.46^{+0.73}_{-0.27}, 3.55^{+0.96}_{-0.55}, 4.27^{+0.36}_{-1.14}$ for clusters, assuming the best-fit Planck cosmology. Similar values with ∼0.1σ shifts are obtained assuming the mean DES Y3 cosmology. The biases from troughs and peaks are broadly consistent, although a larger bias is derived for peaks, which is also larger than those measured from the DES Y3 3 × 2-point analysis. This method shows an interesting avenue for measuring field-level bias that can be applied to future lensing surveys.

cosmology: observations↗
DOE OSTI2026

Sampling off-axis neutrino fluxes with the short-baseline near detector

The short-baseline near detector (SBND), the near detector in the short-baseline neutrino program at Fermi National Accelerator Laboratory, is located just 110 m from the booster neutrino beam target. Thanks to this close proximity, relative to its 4 m × 4 m front face, neutrinos enter SBND over a range of angles from 0° to approximately 1.6°, enabling the detector to sample variations in the neutrino flux as a function of the angle—a technique known as precision reaction-independent spectrum measurement (PRISM), referred to here as SBND-PRISM. In this paper, we show how muon- and electron-neutrino fluxes vary as a function of the neutrino beam axis angle and how this can be exploited to expand the physics potential of SBND. We make use of a model that predicts an angle-dependent electron-neutrino excess signal to illustrate this effect, such as 𝜈 𝜇 → 𝜈 𝑒 oscillations. We present how SBND-PRISM provides a method to add robustness against uncertainties in cross-section modeling and, more generally, uncertainties that do not depend on the spatial position of neutrino interaction inside the detector. The fluxes, along with their associated covariance matrices, are made publicly available with this publication.

Abratenko, P. [Tufts University]↗
DOE OSTI2025

Measurement of elliptic flow of 𝐽/𝜓 in $\sqrt{s_{NN}}$ = 200 GeV ⁢Au + Au collisions at forward rapidity

Here, we report the first measurement of the azimuthal anisotropy of 𝐽/𝜓 at forward rapidity (1.2 < |𝜂| < 2.2) in Au + Au collisions at $\sqrt{s_{NN}}$ = 200 GeV at the BNL Relativistic Heavy Ion Collider. The data were collected by the PHENIX experiment in 2014 and 2016 with integrated luminosity of 14.5 nb −1 . The second Fourier coefficient (𝑣 2 ) of the azimuthal distribution of 𝐽/𝜓 is determined as a function of the transverse momentum (𝑝𝑇) using the event-plane method. The measurements were performed for several selections of collision centrality: 0%–50%, 10%–60%, and 10%–40%. We find that in all cases the values of 𝑣 2 ⁡(𝑝 𝑇 ), which quantify the elliptic flow of 𝐽/𝜓, are consistent with zero. Within uncertainties, the results are consistent with measurements at midrapidity, indicating no significant elliptic flow of the 𝐽/𝜓 within the quark-gluon-plasma medium at collision energies of $\sqrt{s_{NN}}$ = 200 GeV.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗