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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

PSTN-051: Survey Strategy and Cadence Choices for the Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST)

A summary of survey strategy and cadence choices, simulated and evaluated by the Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST) Scheduler Team, prepared for the Survey Cadence and Optimization Committee (SCOC). A large telescope survey, covering the entire visible sky repeatedly every few days in multiple bandpasses over the course of ten years, is the core idea of the LSST. An area of about 20,000 square degrees observed under a wide range of conditions to deep coadded limiting magnitudes in bandpasses ugrizy enables cosmological studies and studies of the Milky Way structure with unprecedented precision; the same survey, when cadenced well, can serve to open new windows into our understanding of transient and variable stars, and extend our knowledge of small bodies throughout the Solar System by orders of magnitude. The outlines of, and some basic necessary requirements for these goals are outlined in the LSST Science Requirements Document (SRD). Finding options for the observing strategy to meet more detailed needs of an even wider range of science goals, as well as building the LSST Scheduler and Metrics Analysis Framework, has been the work of the LSST Scheduler Team with support and input from the astronomical community, including the Community Observing Strategy Evaluation Paper (COSEP), the Call for White Papers, numerous performance metrics, and guidance from the LSST Science Advisory Committee in their Recommendations for Operations Simulator Experiments. This report will help enable the SCOC to make its recommendation for the preferred survey strategy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Apprentice for Event Generator Tuning

Apprentice is a tool developed for event generator tuning. It contains a range of conceptual improvements and extensions over the tuning tool Professor. Its core functionality remains the construction of a multivariate analytic surrogate model to computationally expensive Monte-Carlo event generator predictions. The surrogate model is used for numerical optimization in chi-square minimization and likelihood evaluation. Apprentice also introduces algorithms to automate the selection of observable weights to minimize the effect of mis-modeling in the event generators. We illustrate our improvements for the task of MC-generator tuning and limit setting.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Methods for R&D Portfolio Analysis and Evaluation (Workshop Report)

The Workshop on Methods for R&D Portfolio Analysis and Evaluation convened on 17–18 July 2019 at the National Renewable Energy Laboratory in Golden, Colorado, and examined strengths and weaknesses of the various methodologies applicable to R&D portfolio modeling, analysis, and decision support, given pragmatic constraints such as data availability, uncertainties in estimating the impact of R&D spending, and practical operational overheads. Participants employed their deep expertise in approaches such as stochastic optimization, real options, Monte-Carlo analysis, Bayesian networks, decision theory, complex systems analysis, deep uncertainty, and technology-evolution modeling to critique the initial example models developed by the project’s core team and to conduct thought experiments grounded in real-life technology models, progress data, expert elicitation, and portfolio information. This engagement of participants’ methodological expertise with the practical requirements of real-life portfolio decision support yielded ideas for improved approaches, alternative methodological hypotheses, and hybridization of methodologies that are well-grounded theoretically, computationally sound, and realistically executable given data availability and other practical constraints.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Methods for R&D Portfolio Analysis and Evaluation (Workshop Report)

The Workshop on Methods for R&D Portfolio Analysis and Evaluation convened on 17-18 July 2019 at the National Renewable Energy Laboratory in Golden, Colorado, and examined strengths and weaknesses of the various methodologies applicable to R&D portfolio modeling, analysis, and decision support, given pragmatic constraints such as data availability, uncertainties in estimating the impact of R&D spending, and practical operational overheads. Participants employed their deep expertise in approaches such as stochastic optimization, real options, Monte-Carlo analysis, Bayesian networks, decision theory, complex systems analysis, deep uncertainty, and technology-evolution modeling to critique the initial example models developed by the project’s core team and to conduct thought experiments grounded in real-life technology models, progress data, expert elicitation, and portfolio information. This engagement of participants’ methodological expertise with the practical requirements of real-life portfolio decision support yielded ideas for improved approaches, alternative methodological hypotheses, and hybridization of methodologies that are well-grounded theoretically, computationally sound, and realistically executable given data availability and other practical constraints.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2018

Synthesis of low core loss Finemet/Ni0.5Zn0.5Fe2O4 composites by co-precipitation method

Highlights: • Finemet/NiZn ferrite composites were synthesized by co-precipitation method. • Magnetic properties can be adjusted by controlling oxygen partial pressure. • It shows lower core loss about 30.5 mW/cm{sup 3} at 100 kHz and 100 mT. - Abstract: Finemet/Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} core/shell structure composites have been prepared by a co-precipitation method followed by a high temperature sintering process. The formation mechanism of the core/shell structures and the effects of oxygen partial pressure during the sintering process on the phase structure, microstructure, and magnetic properties were discussed. Low and high oxygen partial pressures resulted in the formation of crystal defects and a reduction of the magnetic properties of the composites. The magnetic properties could be adjusted by controlling the oxygen partial pressure and the optimal magnetic properties of the composites were obtained by sintering under an oxygen partial pressure of 10%. The resulting composite exhibited a high permeability of 61, a high saturation magnetization of 135.5 emu/g and a low core loss of approximately 30.5 mW/cm{sup 3} at 100 kHz and 100 mT.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Design study of lead bismuth cooled fast reactors and capability of natural circulation

A preliminary study designs SPINNOR (Small Power Reactor, Indonesia, No On-Site Refueling) liquid metal Pb-Bi cooled fast reactors, fuel (U, Pu)N, 150 MWth have been performed. Neutronic calculation uses SRAC which is designed cylindrical core 2D (R-Z) 90 × 135 cm, on the core fuel composed of heterogeneous with percentage difference of PuN 10, 12, 13% and the result of calculation is effective neutron multiplication 1.0488. Power density distribution of the output SRAC is generated for thermal hydraulic calculation using Delphi based on Pascal language that have been developed. The research designed a reactor that is capable of natural circulation at inlet temperature 300 °C with variation of total mass flow rate. Total mass flow rate affect pressure drop and temperature outlet of the reactor core. The greater the total mass flow rate, the smaller the outlet temperature, but increase the pressure drop so that the chimney needed more higher to achieve natural circulation or condition of the system does not require a pump. Optimization of the total mass flow rate produces optimal reactor design on the total mass flow rate of 5000 kg/s with outlet temperature 524,843 °C but require a chimney of 6,69 meters.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

The investigation of the optimal conditions thermal destruction of the microcapsules containing water by laser pulses

The particular qualities of formation of the optical field in the composite spherical particles–microcapsules consisting of a polymer absorbing shell and a non-absorbing liquid core are presented. The thickness of the shell and the coefficient of its own radiation absorption determine the nature of spatial distribution and amplitude characteristics of the absorbed power which are revealed by the numerical simulation. The variation of these parameters allows changing position and peak values of the areas the effective absorption volume of the particle. Therefore the conditions conducive for the opening shells in the appropriate spatial areas in order to liberate the contents of the microcapsules are ensured.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Low-Loss, High-Flux Saturation Magnetic Cores for Power Converters

As new and alternative energy sources are added to the energy grid, efficient and low-loss power converters are essential to the storage of energy from these intermittent power sources. Higher operating frequency can reduce the size and weight of transformers. However, current magnetic cores limit the operating frequency because core losses increase with frequency. Therefore, new magnetic core materials are needed with higher resistivity (lower eddy-current losses), lower coercivity (lower hysteresis losses), and higher permeability and flux density (higher power density). These new materials must be integrated into isolated power converters designed to optimize efficiency based on the transformer performance. To address this need, Mainstream pursued a two-pronged approach in Phase I to develop novel magnetic materials and model a planar transformer design. We irradiated silicon steel with a high-energy electron beam in an attempt to induce nanocrystalline grain formation. The nanocrystalline grains were expected to increase resistivity to reduce eddy-current losses and decrease coercivity to reduce hysteresis losses. We also modeled the transformer performance through Simulation Program with Integrated Circuit Emphasis (SPICE) and analytical models to establish the effect of magnetic properties of the core on the performance of the transformer. There still are hurdles to be overcome in Phase II. The electron beam processing was successful in increasing the resistivity and the flux saturation density. However, the resistivity is still too low for high-frequency magnetic cores, because the eddy-current losses would be prohibitively high. Additionally, the coercivity increased for the processed samples leading to higher hysteresis losses. In comparing our SPICE and analytical models to the planar transformer measured values and impedance plots, good agreement was seen for primary and secondary short-circuit impedance measurements and for primary-to-secondary capacitance measurements. The SPICE model deviated from measured values, though, when measuring the transformer open-circuit impedance, indicating that we might need to add more model complexity to the transformer model. Phase II research will continue to build on the transformer model and integrating novel magnetic materials into high-frequency transformers.

15 GEOTHERMAL ENERGY↗
DOE OSTI2025

What Makes Au Nanospheres Superior to Octahedral and Cubic Counterparts for the Deposition of a Pt Monolayer Shell?

This study demonstrates that Au nanospheres are advantageous over their octahedral and cubic counterparts as seeds in the synthesis of Au@Pt core−shell nanocrystals with a monolayer shell. In combination with experimental characterization, we show through training a machine-learned interatomic potential that the Au nanospheres exhibit a large fraction of lowcoordination atoms which are uniformly distributed over the surface. The corresponding high-index facets, including {211}, {311}, {331}, {210}, and {310}, on a spherical seed promote nucleation while greatly shortening the diffusion distance for adatoms. In addition, the high-index facets are instrumental in retaining the deposited Pt atoms on the outermost surface by retarding their inter-diffusional exchange with the underlying Au atoms. By switching from a monolayer made of pure Pt to those made of Pt−Au alloys, we can optimize both the activity and selectivity of the nanocrystals toward the two-electron oxygen reduction reaction for the electrochemical synthesis of H 2 O 2 . This method should be extendible to the fabrication of other core−shell nanocatalysts with desired monolayer shells for various catalytic reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

A new generation of effective core potentials from correlated and spin–orbit calculations: Selected heavy elements

We introduce new correlation consistent effective core potentials (ccECPs) for the elements I, Te, Bi, Ag, Au, Pd, Ir, Mo, and W with 4d, 5d, 6s, and 6p valence spaces. These ccECPs are given as a sum of spin-orbit averaged relativistic effective potential (AREP) and effective spin–orbit (SO) terms. The construction involves several steps with increasing refinements from more simple to fully correlated methods. The optimizations are carried out with objective functions that include weighted many-body atomic spectra, norm-conservation criteria, and SO splittings. Transferability tests involve molecular binding curves of corresponding hydride and oxide dimers. The constructed ccECPs are systematically better and in a few cases on par with previous effective core potential (ECP) tables on all tested criteria and provide a significant increase in accuracy for valence-only calculations with these elements. Our study confirms the importance of the AREP part in determining the overall quality of the ECP even in the presence of sizable spin–orbit effects. The subsequent quantum Monte Carlo calculations point out the importance of accurate trial wave functions that, in some cases (mid-series transition elements), require treatment well beyond a single-reference.

Wang, Guangming (ORCID:0000000231327925)↗
DOE OSTI2015

Allosteric transcriptional regulation via changes in the overall topology of the core promoter

Many transcriptional activators act at a distance from core promoter elements and work by recruiting RNA polymerase through protein-protein interactions. We show here how the prokaryotic regulatory protein CueR both represses and activates transcription by differentially modulating local DNA structure within the promoter. Structural studies reveal that the repressor state slightly bends the promoter DNA, precluding optimal RNA polymerase-promoter recognition. Upon binding a metal ion in the allosteric site, CueR switches into an activator conformation. It maintains all protein-DNA contacts but introduces torsional stresses that kink and undertwist the promoter, stabilizing an A-DNA-like conformation. Finally, these factors switch on and off transcription by exerting dynamic control of DNA stereochemistry, reshaping the core promoter and making it a better or worse substrate for polymerase.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Integration of Experimental Hydroprocessing and FCC Data with Process (Aspen Plus) and Refinery Optimization (Aspen PIMS) Models

NREL's Economic, Sustainability, and Market Analysis (ESMA) team develops process models in Aspen Plus to support techno-economic analysis (TEA) and life-cycle assessment (LCA) of conversion pathways from renewable and circular resources to fuels and chemicals. These tools are being applied to assess probable operational constraints or bottlenecks associated with refinery co-processing and repurposing opportunities. The team also utilizes optimizable refinery models to quantify opportunities for biofuel and bioproduct pathways through integration with existing refining infrastructure. The goals of analysis are to model the transition of refineries to renewable and circular feedstocks and quantify the costs production and CO2 abatement through utilization of existing refineries. At the core of the ESMA team's work is the process data derived from conversion experiments on hydroprocessing and fluid catalytic cracking performed at NREL. The objective of this presentation is to highlight new analysis approaches and capabilities in pathway analysis and refinery optimization modeling with specific emphasis on integration of experimental data.

BIOMASS FUELS,ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2016

Development and Application of Virtual Nuclear Power Plant Platform Concerning Environment and Society Digitally

Virtual Nuclear Power Plant, named Virtual4DS, which is developed by the advanced nuclear energy research team (FDS Team), is a platform for full range, whole cycle safety assessment and emergency decision of nuclear power plant in the digital environment and society. The function framework of Virtual4DS is shown in Fig. 1, and it is designed to ensure an overall optimization design of nuclear power plant, achieve comprehensive evaluation of safety and control of risk, and supply the decision support for accident emergency by the accident probability analysis, environmental consequence assessment and public risk evaluation built on the core of digital reactor and the foundation of the nuclear energy big data. Therefore, Virtual4DS is eligible to be applied in reactor safety, radiation safety and environment impact, emergency and public safety. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Photosynthetic biohybrid systems for solar fuels catalysis

Photosynthetic reaction center (RC) proteins are finely tuned molecular systems optimized for solar energy conversion. RCs effectively capture and convert sunlight with near unity quantum efficiency utilizing light-induced directional electron transfer through a series of molecular cofactors embedded within the protein core to generate a long-lived charge separated state with a useable electrochemical potential. Of current interest are new strategies that couple RC chemistry to the direct synthesis of energy-rich compounds. This Feature Article highlights recent work from our lab on RC and RC-inspired hybrid systems that capture the Sun's energy and convert it to chemical energy in the form of H2, a carbon-neutral energy source derived from water. Further, biohybrids made from the Photosystem I (PSI) RC are among the best photocatalytic H2-producing protein hybrids to date. Targeted self-assembly strategies that couple abiotic catalysts to PSI translate to catalyst incorporation at intrinsic PSI sites within thylakoid membranes to achieve complete solar water-splitting systems. RC-inspired biohybrids interface synthetic photosensitizers and molecular catalysts with small proteins to create photocatalytic systems and enable the spectroscopic discernment of the structural features and electron transfer processes that underpin solar-driven proton reduction. In total, these studies showcase the incredible scientific opportunities photosynthetic biohybrid research provides for harnessing the optimal qualities of both artificial and natural photosynthetic systems and developing materials that capture, convert, and store solar energy as a fuel.

14 SOLAR ENERGY↗
DOE OSTI2022

A second-order distributed memory parallel fast sweeping method for the Eikonal equation

The Eikonal equation is used to calculate wave propagation and distance fields, and due to its complexity requires numerical treatment for its solution. In this work, we present a second-order distributed memory parallel fast sweeping method. The second-order solution switches on a two-point stencil when two upwind points are available, and reverts to first-order otherwise. In all examples, the second-order method improves the solution over the first-order, allowing for significant savings in memory while achieving the same accuracy. Parallelization over distributed memory saw good weak scaling with optimal convergence. The computational time for second-order was approximately 2.5 times slower than first-order, where the largest amount of mesh points ran on 144 cores (512 GB) was ≈20 billion. The savings in memory from the second-order method combined with the distributed memory algorithm result in the ability to solve problems much larger than are possible with the serial first-order method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Excitonic condensation in spatially separated one-dimensional systems

We show theoretically that excitons can form from spatially separated one-dimensional ground state populations of electrons and holes, and that the resulting excitons can form a quasicondensate. We describe a mean-field Bardeen-Cooper-Schrieffer theory in the low carrier density regime and then focus on the core-shell nanowire giving estimates of the size of the excitonic gap for InAs/GaSb wires and as a function of all the experimentally relevant parameters. We find that optimal conditions for pairing include small overlap of the electron and hole bands, large effective mass of the carriers, and low dielectric constant of the surrounding media. Therefore, one-dimensional systems provide an attractive platform for the experimental detection of excitonic quasicondensation in zero magnetic field.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗