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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 OSTI2022

Frontiers and opportunities in bioenergy crop microbiome research networks

Researchers from across the four U.S. Department of Energy Bioenergy Research Centers engaged in a microbiome workshop that focused on identifying challenges and collaboration opportunities to better understand bioenergy-relevant plant–microbe interactions. The virtual workshop included hands-on educational sessions and a keynote address on current best practices in microbiome science and community microbiome standards, as well as breakout sessions aimed at identifying microbiome-related data and measurements that should be prioritized, opportunities for and barriers to integrating plant metabolites to microbiome research, and strategies for more effectively integrating microbiome data and processes into existing models. Based on participant discussion, key findings of the workshop were the need to prioritize scaling data sharing across BRCs and the broader research community and securing collaborative infrastructure in the areas of microbiome-ecosystem modeling and molecular plant-microbe interactions. This workshop review highlights additional main findings from this event, to encourage cross-site and more holistic meta-analyses while promoting wide scientific community engagement across plant microbiome sciences.

09 BIOMASS FUELS↗

DOE OSTI2024

Measurements of jet cross-section ratios in 13 TeV proton-proton collisions with ATLAS

Measurements of jet cross-section ratios between inclusive bins of jet multiplicity are performed in 140 fb -1 of proton-proton collisions with √s = 13 TeV center-of-mass energy, recorded with the ATLAS detector at CERN’s Large Hadron Collider. These ratios are constructed from double-differential cross-section measurements that are made in bins of jet multiplicity and other observables that are sensitive the energy scale and angular distribution of radiation due to the strong interaction in the final state. Additionally, the scalar sum of the two leading jets’ transverse momenta is measured triple differentially, in bins of the third jet’s transverse momentum and of jet multiplicity. These measurements are unfolded to account for acceptance and detector-related effects. The measured distributions are used to construct ratios of the inclusive jet-multiplicity bins, which have been shown to be sensitive to the strong coupling Formula Presented while being less sensitive than other observables to systematic uncertainties and parton distribution functions. The measured distributions are compared with state-of-the-art QCD calculations, including next-to-next-to-leading-order predictions for two- and three-jet events. These predictions are generally found to model the data well and perform best in bins with a modest requirement on the third jet’s transverse momentum. Significant differences between data and Monte Carlo predictions are observed in events with large rapidity gaps and invariant masses of the leading jet pair. Studies leading to reduced jet energy scale uncertainties significantly improve the precision of this work and are documented herein.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Understanding the selectivity of nonsteroidal anti-inflammatory drugs for cyclooxygenases using quantum crystallography and electrostatic interaction energy

Quantum crystallography methods have been employed to investigate complex formation between nonsteroidal anti-inflammatory drugs (NSAIDs) and cyclooxygenase (COX) enzymes, with particular focus on the COX-1 and COX-2 isoforms. This study analyzed the electrostatic interaction energies of selected NSAIDs (flurbiprofen, ibuprofen, meloxicam and celecoxib) with the active sites of COX-1 and COX-2, revealing significant differences in binding profiles. Flurbiprofen exhibited the strongest interactions with both COX-1 and COX-2, indicating its potent binding affinity. Celecoxib and meloxicam showed a preference for COX-2, consistent with their known selectivity for this isoform, while ibuprofen showed comparable interaction energies with both isoforms, reflecting its nonselective inhibition pattern. Key amino-acid residues, including Arg120, Arg/His513 and Tyr355, were identified as critical determinants of NSAID selectivity and binding affinity. The findings highlight the complex interplay between interaction energy and selectivity, suggesting that while electrostatic interactions play a fundamental role, additional factors such as enzyme dynamics and the hydrophobic effect also contribute to the therapeutic efficacy and safety profiles of NSAIDs. These insights provide valuable guidance for the rational design of NSAIDs with enhanced therapeutic benefits and minimized adverse effects.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

Parallel Algorithms for Efficient Computation of High-Order Line Graphs of Hypergraphs

This paper considers structures of systems beyond dyadic (pairwise) interactions and investigates mathematical modeling of multi-way interactions and connections as hypergraphs, where captured relationships among system entities are set-valued. To date, in most situations, entities in a hypergraph are considered connected as long as there is at least one common ``neighbor''. However, minimal commonality sometimes discards the ``strength'' of connections and interactions among groups. To this end, considering the ``width'' of a connection, referred to as the \emph{$s$-overlap} of neighbors, provides more meaningful insights into how closely the communities or entities interact with each other. In addition, $s$-overlap computation is the fundamental kernel to construct the line graph of a hypergraph, a low-order approximation of the hypergraph which can carry significant information about the original hypergraph. Subsequent stages of a data analytics pipeline then can apply highly-tuned graph algorithms on the line graph to reveal important features. Given a hypergraph, computing the $s$-overlaps by exhaustively considering all pairwise entities can be computationally prohibitive. To tackle this challenge, we develop efficient algorithms to compute $s$-overlaps and the corresponding line graph of a hypergraph. We propose several heuristics to avoid execution of redundant work and improve performance of the $s$-overlap computation. Our parallel algorithm, combined with these heuristics, is orders of magnitude (more than $10\times$) faster than the naive algorithm in all cases and the SpGEMM algorithm with filtration in most cases (especially with large $s$ value).

hypergraph algorithms, graph algorithms, parallel ↗

DOE OSTI2022

Heavy Duty Commercial Vehicle Platooning Energy Benefits for Conventional and Electrified Powertrains

Heavy duty vehicle platooning under highway operating conditions, has been projected to provide significant fuel economy gains based on aerodynamic drag improvements of the platooning vehicles. Realizing these benefits under real-world operating conditions presents several challenges. This paper (the first as part of series) provides a framework to quantify the fuel economy benefits of both conventional and electrified powertrains operating across the U.S. Interstate highway system. In addition to the powertrain, key interactions that are explored include the vehicle separation distance, baseline vehicle aerodynamic properties, vehicle weight, number of vehicles in the platoon, excursions from road speed limits, and particular traffic interactions. While the approach makes use of a limited fidelity vehicle model for longitudinal dynamics, the narrative provides application decision personnel with a mechanism and well-defined set of fuel economy impact factors to consider as part of their architecture selection process.

Sujan, Vivek↗

DOE OSTI2023

Cryo-EM structure of the human Sirtuin 6–nucleosome complex

Sirtuin 6 (SIRT6) is a multifaceted protein deacetylase/deacylase and a major target for small-molecule modulators of longevity and cancer. In the context of chromatin, SIRT6 removes acetyl groups from histone H3 in nucleosomes, but the molecular basis for its nucleosomal substrate preference is unknown. Our cryo–electron microscopy structure of human SIRT6 in complex with the nucleosome shows that the catalytic domain of SIRT6 pries DNA from the nucleosomal entry-exit site and exposes the histone H3 N-terminal helix, while the SIRT6 zinc-binding domain binds to the histone acidic patch using an arginine anchor. In addition, SIRT6 forms an inhibitory interaction with the C-terminal tail of histone H2A. The structure provides insights into how SIRT6 can deacetylate both H3 K9 and H3 K56.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Towards Three-Dimensional Neutron Imaging with Light-field Technology

A broad range of applications in nuclear safeguards and security can benefit from compact, fast neutron imagers with large angular acceptance. However, accurate 3D multi-vertex reconstruction in a monolithic detector remains a significant barrier to realization. Current approaches, such as the centroiding approach and the use of shadow masks, have not yet resulted in a successful demonstration in a light-starved environment. This project explored the use of cutting-edge technology—a light field camera—which inherently preserves both the spatial and directional information of incident light. Such technology can, in principle, resolve multi-vertex events and offer accurate position reconstruction in 3D with relatively simple readout electronics. Since the project's inception in May 2023, we have built an experimental setup to calibrate and characterize a commercial light-field camera (Lytro Illum). We assessed its 3D event reconstruction capability in a relatively low-light intensity environment by analyzing the cross-correlation of a series of 2D images of a characterized tunable light source taken at various distances. A sub-cm resolution, lower than typical neutron interaction separations in a compact scintillator volume, was observed with the LED light source, suggesting the promising capability of its nominal optics design to provide the adequate resolution required for a compact monolithic neutron directional detector. However, using a light-field-based readout for a neutron camera requires incorporating an ultra-low-noise light sensor, which is beyond the scope of this project. We also initiated the development of a 3D light-field-based reconstruction algorithm tailored to sparse scenes, as expected from particle interactions in a scintillator medium. Additionally, we demonstrated the capability of the algorithm to replicate the ground truth. Finally, we began the development of a neutron directional detector simulation to determine the performance criteria for light-field-based reconstruction that allows for good neutron directional reconstruction. This Feasibility Study has led to a successful follow-up project under the DNN R&D innovation portfolio starting May 2024.

42 ENGINEERING↗

DOE OSTI2025

Cost and Performance Baseline for Fossil Energy Plants Volume 1: Bituminous Coal and Natural Gas to Electricity

This report presents an independent assessment of the cost and performance of select fossil energy power systems—pulverized coal (PC) and natural gas combined cycle (NGCC) plants—using a systematic, transparent, technical, and economic approach. This is Volume 1 of the baseline series: Bituminous Coal and Natural Gas to Electricity. The cost and performance of fossil fuel‐based generation technologies represented in this report are important inputs to assessments and determinations of technology combinations to be utilized to meet the projected demands of future power markets. From a research and development perspective, this report is used to assess goals and metrics and to provide a consistent basis for comparing developing technologies. The main report consists of fifteen power plant configurations, six PC cases (with and without carbon capture) nine NGCC cases (with and without carbon capture) and few additional cases of higher capture rate, for both PC and NGCC plants in the appendix. In addition to the report, an interactive tool was developed that allows users to manipulate six key study parameters simultaneously for each case and visualize the impact on three metrics: 1) levelized cost of electricity (LCOE), 2) cost of CO 2 capture (CCC), and 3) cost of CO 2 avoided (CCA). Following is the link to the interactive tool: https://netl.doe.gov/NETLVol1BaselineTool

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2026

Zentropy Theory for Transformative Functionalities of Magnetic and Superconducting Materials

The proposed research developed the zentropy theory through applications to complex magnetic materials and superconductors under the hypothesis that the emergent properties of complex magnetic materials and superconductors can be predicted by statistical mechanics of ergodic microstates with their partition functions computed from DFT-predicted free energies. The key objective is to develop approaches to systematically determine the types and number of microstates and the supercell size in DFT-based calculations through convergency of macroscopic functionalities, with the incorporation of our mixed-space approach accounting for the interactions between periodic supercells. In addition to use scientific intuitions to guide the design of important microstates, the key innovation of the proposed research is to integrate the domain knowledge and the material-property-descriptor database (MPDD) with 4 million microstates, which is supported by our deep neural network machine learning models (SIPFENN: structure-informed prediction of formation energy using neural networks) and integrated with our high throughput DFT Tool Kit (DFTTK). For complex magnetic materials, one of the objectives is to develop approaches to calculate short-range ordering from the statistical distribution of each microstate. For superconductors, the divergency of quasiparticle effective mass at a quantum critical point will be investigated, and the superconducting and non-superconducting microstates will be delineated through analysis of electronic band structure, density of states, charge density, and Fermi surface.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Latest D0 results on exotic hadrons produced in $p\bar p $ collision

Prompt and nonprompt productions of exotic multiquark states are studied using the $\sim$10.4~fb$^{-1}$ data sample collected by the D0 experiment in Tevatron $p\bar{p}$ collisions at $\sqrt{s}$ = 1.96 TeV. The recent D0 results on the prompt and nonprompt production of the $X(3872)$ and $Z_c^+(3900)$ states and the $P_c$ pentaquarks at the 4450~MeV region are reported. Signals corresponding to these states are found in the nonprompt production, whereas only the $X(3872)$ state is seen in the prompt production. The ratio of prompt to nonprompt $X(3872)$ production is about three times larger in the D0 measurement than that obtained by the ATLAS experiment at 8 TeV. Theoretically, the production, formation, coalescence, and disassociation processes are expected to be quite different for conventional mesons with a spatial size of (0.4-0.8) fm, compact multiquark states such as tetraquarks with a size of a few fm, and spatially extended molecular states with a size of (4-10) fm. They can be differently affected in prompt hadron-hadron collisions where there are many additional particles emitted from the interaction point. Consequently, the prompt to nonprompt production ratio of spatially extended exotic states can be suppressed at LHC comparing with the Tevatron conditions, because of large difference in the hadron-hadron collisions particle multiplicity. The prompt production studies provide an opportunity to better understand the nature of exotic states.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Uses of Multi-Objective Flux Analysis for Optimization of Microbial Production of Secondary Metabolites

Secondary metabolites are not essential for the growth of microorganisms, but they play a critical role in how microbes interact with their surroundings. In addition to this important ecological role, secondary metabolites also have a variety of agricultural, medicinal, and industrial uses, and thus the examination of secondary metabolism of plants and microbes is a growing scientific field. While the chemical production of certain secondary metabolites is possible, industrial-scale microbial production is a green and economically attractive alternative. This is even more true, given the advances in bioengineering that allow us to alter the workings of microbes in order to increase their production of compounds of interest. This type of engineering requires detailed knowledge of the “chassis” organism’s metabolism. Since the resources and the catalytic capacity of enzymes in microbes is finite, it is important to examine the tradeoffs between various bioprocesses in an engineered system and alter its working in a manner that minimally perturbs the robustness of the system while allowing for the maximum production of a product of interest. The in silico multi-objective analysis of metabolism using genome-scale models is an ideal method for such examinations.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

Data Release 1 of the Dark Energy Spectroscopic Instrument

In 2021 May the Dark Energy Spectroscopic Instrument (DESI) collaboration began a 5 yr spectroscopic redshift survey to produce a detailed map of the evolving three-dimensional structure of the Universe between z = 0 and z ≈ 4. DESI’s principal scientific objectives are to place precise constraints on the equation of state of dark energy, the gravitationally driven growth of large-scale structure, and the sum of the neutrino masses, and to explore the observational signatures of primordial inflation. We present DESI DR1, which consists of all data acquired during the first 13 months of the DESI main survey, as well as a uniform reprocessing of the DESI Survey Validation data, which were previously made public in the DESI Early Data Release. The DR1 main survey includes high-confidence redshifts for 18.7M objects, of which 13.1M are spectroscopically classified as galaxies, 1.6M as quasars, and 4M as stars, making DR1 the largest sample of extragalactic redshifts ever assembled. We summarize the DR1 observations, the spectroscopic data-reduction pipeline and data products, large-scale structure catalogs, value-added catalogs, and describe how to access and interact with the data. In addition to fulfilling its core cosmological objectives with unprecedented precision, we expect DR1 to enable a wide range of transformational astrophysical studies and discoveries.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1974

Acoustic characteristics of externally blown flap systems with mixer nozzles

Noise tests were conducted on a large scale, cold flow model of an engine-under-the-wing externally blown flap lift augmentation system employing a mixer nozzle. The mixer nozzle was used to reduce the flap impingement velocity and, consequently, try to attenuate the additional noise caused by the interaction between the jet exhaust and the wing flap. Results from the mixer nozzle tests are summarized and compared with the results for a conical nozzle. The comparison showed that with the mixer nozzle, less noise was generated when the trailing flap was in a typical landing setting (e.g., 60 deg). However, for a takeoff flap setting (20 deg), there was little or no difference in the acoustic characteristics when either the mixer or conical nozzle was used.

Goodykoontz, J. H.↗

NASA NTRS1974

Acoustic characteristics of externally blown flap systems with mixer nozzles

Noise tests were conducted on a large-scale cold-flow model of an engine-under-the-wing externally blown flap lift augmentation system employing a mixer nozzle. The mixer nozzle was used to reduce the flap impingement velocity and, consequently, to try to attenuate the additional noise caused by the interaction between the jet exhaust and the wing flap. Results from the mixer nozzle tests are summarized and compared with the results for a conical nozzle. The comparison showed that, with the mixer nozzle, less noise was generated when the trailing flap was in a typical landing setting (e.g., 60 deg). However, for a takeoff flap setting (20 deg), there was little or no difference in the acoustic characteristics when either the mixer or conical nozzle was used.

Goodykoontz, J. H.↗

NASA NTRS1976

Identifying and analyzing methods for reducing the energy consumption of helicopters

Reductions in helicopter energy consumption can be accomplished through the use of advanced technology in the areas of powerplant design, improved rotor efficiency, reduced parasite drag, and reduced structural empty weight. Baseline helicopters incorporating technology were designed for a short range (200 n mi) and a very short haul (100 n mi) mission scenario. Parametric analyses were then conducted to determine the impact of technology improvement. Many of the parameters varied are interrelated. A summary of such interactions is presented, and some additional sensitivity values were added so that energy reduction and DOC as affected by the major technological factors or operational modes are clearly defined.

Davis, S. J.↗

NASA NTRS1979

Experimental evaluation of active and passive means of alleviating rotor impulsive noise in descent flight

A controlled wind tunnel test program was conducted on a model 2.14 m (7 ft) diameter teetering rotor to determine the effectiveness of blade tips such as the Ogee tip and the TAMI (Tip Air Mass Injection) tip in reducing the impulsive noise due to blade-vortex interaction in descent flight. In addition, a full rectangular tip which has the same span as the Ogee tip and an effective rectangular tip which has the same lifting area as the Ogee tip were also considered. The tests were conducted at two advance ratios (0.125 and 0.14) with various descent rates ranging from steady level flight to about 6 m/sec (20 ft/sec). A comparison of the performance of different rotors showed that for the same tip Mach number and thrust, the Ogee tip rotor absorbed more power than the full rectangular tip rotor, while the TAMI tip rotor absorbed more power than the effective tip rotor.

Janakiram, D. S.↗

NASA NTRS1979

Energetic solar particle behaviour in the magnetosphere

The behavior of energetic solar flare particles in the magnetosphere is discussed. In the absence of magnetospheric motion, the problem of particle transport can be treated as simple propagation of charged particles in a stationary magnetic field configuration using, for instance, trajectory calculations in model fields. This single particle approach is the basis for the determination of intensity and anisotropy structures over the polar caps and in the geomagnetic tail from different interplanetary conditions. Particle transport on closed field lines is in addition strongly affected by resonant interaction processes as pitch angle scattering and radial diffusion.

Scholer, M.↗

NASA NTRS1988

The evolution of the system of globular clusters

The physical processes affecting the evolution of the system of globular clusters are reviewed. Aspects of internal structure evolution discussed include evaporation, core collapse, expansion, tidal shocks, and interaction with other massive components of the Galaxy such as black holes, molecular clouds, and other clusters. The evolution of orbital parameters is examined, including dynamical friction, scattering by massive subcomponents, and interactions with nearby systems. In addition, an overview of the system evolution is presented.

Ostriker, Jeremiah P.↗