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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 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

Space Missions Trade Space Generation and Assessment Using JPL Rapid Mission Architecture (RMA) Team Approach

The JPL Rapid Mission Architecture (RMA) capability is a novel collaborative team-based approach to generate new mission architectures, explore broad trade space options, and conduct architecture-level analyses. RMA studies address feasibility and identify best candidates to proceed to further detailed design studies. Development of RMA first began at JPL in 2007 and has evolved to address the need for rapid, effective early mission architectural development and trade space exploration as a precursor to traditional point design evaluations. The RMA approach integrates a small team of architecture-level experts (typically 6-10 people) to generate and explore a wide-ranging trade space of mission architectures driven by the mission science (or technology) objectives. Group brainstorming and trade space analyses are conducted at a higher level of assessment across multiple mission architectures and systems to enable rapid assessment of a set of diverse, innovative concepts. This paper describes the overall JPL RMA team, process, and high-level approach. Some illustrative results from previous JPL RMA studies are discussed.

real time systems↗
NASA NTRS1994

Long-term ozone and temperature correlations above SANAE, Antarctica

A significant decline in Antarctic total column ozone and upper air temperatures has been observed in recent years. Furthermore, high correlations between monthly mean values of ozone and stratospheric temperature have been measured above Syowa, Antarctica. For the observations reported here, data from TOMS (Total Ozone Mapping Spectrometer) aboard the Nimbus 7 satellite have been used to examine the 1980 to 1990 decrease in total column ozone above the South African Antarctic base of SANAE (70 deg 18 min S, 2 deg 21 min W). The cooling of the Antarctic stratosphere above SANAE during this period has been investigated by examining upper air temperatures at the 150, 100, 70, 50, and 30 hPa levels obtained from daily radiosonde balloon launches. Furthermore, these two data sets have been used to examine long-term, medium-term, and short-term correlations between total column ozone and the temperatures at each of the five levels. The trend in SANAE total column ozone has been found to be -4.9 DU/year, while upper air temperatures have been found to decrease at around 0.3 C/year. An analysis of monthly average SANAE total column ozone has shown the decrease to be most severe during the month of September with a trend of -7.7 DU/year. A strong correlation (r(exp 2) = 0.92) has been found between yearly average total column ozone and temperature at the 100 hPa level. Daily ozone and temperature correlations show high values from September to November, at a time when the polar vortex is breaking down.

Bodeker, Gregory E.↗
NASA NTRS1992

The structure and energetics of Cr(CO)6 and Cr(CO)5

The geometric structure of Cr(CO)6 is optimized at the modified coupled pair functional (MCPF), single and double excitation coupled-cluster (CCSD) and CCSD(T) levels of theory (including a perturbational estimate for connected triple excitations), and the force constants for the totally symmetric representation are determined. The geometry of Cr(CO)5 is partially optimized at the MCPF, CCSD, and CCSD(T) levels of theory. Comparison with experimental data shows that the CCSD(T) method gives the best results for the structures and force constants, and that remaining errors are probably due to deficiencies in the one-particle basis sets used for CO. The total binding energies of Cr(CO)6 and Cr(CO)5 are also determined at the MCPF, CCSD, and CCSD(T) levels of theory. The CCSD(T) method gives a much larger total binding energy than either the MCPF or CCSD methods. An analysis of the basis set superposition error (BSSE) at the MCPF level of treatment points out limitations in the one-particle basis used. Calculations using larger basis sets reduce the BSSE, but the total binding energy of Cr(CO)6 is still significantly smaller than the experimental value, although the first CO bond dissociation energy of Cr(CO)6 is well described. An investigation of 3s3p correlation reveals only a small effect. In the largest basis set, the total CO binding energy of Cr(CO)6 is estimated to be 140 kcal/mol at the CCSD(T) level of theory, or about 86 percent of the experimental value. The remaining discrepancy between the experimental and theoretical value is probably due to limitations in the one-particle basis, rather than limitations in the correlation treatment. In particular an additional d function and an f function on each C and O are needed to obtain quantitative results. This is underscored by the fact that even using a very large primitive set (1042 primitive functions contracted to 300 basis functions), the superposition error for the total binding energy of Cr(CO)6 is 22 kcal/mol at the MCPF level of treatment.

Barnes, Leslie A.↗
NASA NTRS2012

Large Terrain Continuous Level of Detail 3D Visualization Tool

This software solved the problem of displaying terrains that are usually too large to be displayed on standard workstations in real time. The software can visualize terrain data sets composed of billions of vertices, and can display these data sets at greater than 30 frames per second. The Large Terrain Continuous Level of Detail 3D Visualization Tool allows large terrains, which can be composed of billions of vertices, to be visualized in real time. It utilizes a continuous level of detail technique called clipmapping to support this. It offloads much of the work involved in breaking up the terrain into levels of details onto the GPU (graphics processing unit) for faster processing.

Myint, Steven↗
NASA NTRS1989

Fuzzy set applications in engineering optimization: Multilevel fuzzy optimization

A formulation for multilevel optimization with fuzzy objective functions is presented. With few exceptions, formulations for fuzzy optimization have dealt with a one-level problem in which the objective is the membership function of a fuzzy set formed by the fuzzy intersection of other sets. In the problem examined here, the goal set G is defined in a more general way, using an aggregation operator H that allows arbitrary combinations of set operations (union, intersection, addition) on the individual sets Gi. This is a straightforward extension of the standard form, but one that makes possible the modeling of interesting evaluation strategies. A second, more important departure from the standard form will be the construction of a multilevel problem analogous to the design decomposition problem in optimization. This arrangement facilitates the simulation of a system design process in which different components of the system are designed by different teams, and different levels of design detail become relevant at different time stages in the process: global design features early, local features later in the process.

Diaz, Alejandro R.↗
DOE OSTI2023

Butterfly, Vinylidene-Like, Monobridged and Trans Structures of Si 2 H 2 + : Comparison to the Well-Characterized Neutral Si 2 H 2

This paper investigates four of the constitutional isomers of Si 2 H 2 + , namely the butterfly, vinylidene-like, monobridged, and trans structures. These isomer geometries were all studied using the CCSD(T) method with basis sets as large as cc-pV5Z. Higher level methods CCSDT and CCSDT(Q) were used for final energetics. It is found that the butterfly isomer has the lowest energy, followed by vinylidene-like and monobridged structures; the trans structure has the highest energy of the four. All structures were compared with their neutral counterparts. Partial charges are computed and it is found that all isomers share the positive charge between the silicon atoms. NBO analysis shows that the cation Si-Si bond order is reduced by 0.5 relative to the neutral versions of the same isomer in the case of the butterfly, vinylidene-like, and monobridged; and reduced by 0.6 for the trans isomer. Vibrational frequencies, infrared intensities, and dipole moments are predicted to encourage the spectroscopic identification of Si 2 H 2 + .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Search for squarks and gluinos in final states with jets and missing transverse momentum using 139 fb -1 of $ \sqrt{s} $ = 13 TeV pp collision data with the ATLAS detector

A search for the supersymmetric partners of quarks and gluons (squarks and gluinos) in final states containing jets and missing transverse momentum, but no electrons or muons, is presented. The data used in this search were recorded by the ATLAS experiment in proton-proton collisions at a centre-of-mass energy of $\sqrt{s}$ = 13 TeV during Run 2 of the Large Hadron Collider, corresponding to an integrated luminosity of 139 fb -1 . The results are interpreted in the context of various R -parity-conserving models where squarks and gluinos are produced in pairs or in association and a neutralino is the lightest supersymmetric particle. An exclusion limit at the 95% confidence level on the mass of the gluino is set at 2.30 TeV for a simplified model containing only a gluino and the lightest neutralino, assuming the latter is massless. For a simplified model involving the strong production of mass-degenerate first- and second-generation squarks, squark masses below 1.85 TeV are excluded if the lightest neutralino is massless. These limits extend substantially beyond the region of supersymmetric parameter space excluded previously by similar searches with the ATLAS detector.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Search for π 0 decays to invisible particles

The NA62 experiment at the CERN SPS reports a study of a sample of 4 × 10 9 tagged π0 mesons from K + → π + π 0 (γ), searching for the decay of the π 0 to invisible particles. No signal is observed in excess of the expected background fluctuations. An upper limit of 4.4 × 10 –9 is set on the branching ratio at 90% confidence level, improving on previous results by a factor of 60. This result can also be interpreted as a model- independent upper limit on the branching ratio for the decay K + → π + X, where X is a particle escaping detection with mass in the range 0.110–0.155 GeV/c 2 and rest lifetime greater than 100 ps. Model-dependent upper limits are obtained assuming X to be an axion-like particle with dominant fermion couplings or a dark scalar mixing with the Standard Model Higgs boson.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Searches for lepton-flavour-violating decays of the Higgs boson into $eτ$ and $μτ$ in $ \sqrt{s}$ = 13 TeV pp collisions with the ATLAS detector

This paper presents direct searches for lepton flavour violation in Higgs boson decays, H → eτ and H → μτ, performed using data collected with the ATLAS detector at the LHC. The searches are based on a data sample of proton-proton collisions at a centre-of-mass energy $\sqrt{s}$ = 13 TeV, corresponding to an integrated luminosity of 138 fb –1 . Leptonic (τ → ℓν ℓ ν τ ) and hadronic (τ → hadrons ν τ ) decays of the τ-lepton are considered. Two background estimation techniques are employed: the MC-template method, based on data-corrected simulation samples, and the Symmetry method, based on exploiting the symmetry between electrons and muons in the Standard Model backgrounds. No significant excess of events is observed and the results are interpreted as upper limits on lepton-flavour-violating branching ratios of the Higgs boson. The observed (expected) upper limits set on the branching ratios at 95% confidence level, $\mathcal{B}$(H → eτ) < 0.20% (0.12%) and $\mathcal{B}$(H → μτ ) < 0.18% (0.09%), are obtained with the MC-template method from a simultaneous measurement of potential H → eτ and H → μτ signals. The best-fit branching ratio difference, $\mathcal{B}$(H → μτ) → $\mathcal{B}$(H → eτ), measured with the Symmetry method in the channel where the τ-lepton decays to leptons, is (0.25 ± 0.10)%, compatible with a value of zero within 2.5σ.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Search for a light CP-odd Higgs boson decaying into a pair of τ -leptons in proton-proton collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

This paper reports a search for a light CP-odd scalar resonance with a mass of 20 GeV to 90 GeV in 13 TeV proton-proton collision data with an integrated luminosity of 140 fb -1 collected with the ATLAS detector at the Large Hadron Collider. The analysis assumes the resonance is produced via gluon-gluon fusion and decays into a $τ^+ τ^-$ pair which subsequently decays into a fully leptonic $µ^+ ν_µ \overline{ν}_τ e^- \overline{ν}_ e ν_τ$ or $e^+ ν_e \overline{ν}_τ µ^- \overline{ν}_µ ν_τ$ final state. No significant excess of events above the predicted Standard Model background is observed. The results are interpreted within a favour-aligned two-Higgs-doublet model, and a model independent cross-section interpretation is also given. Upper limits at 95% confidence level between 3.0 pb and 68 pb are set on the cross-section for producing a CP-odd Higgs boson that decays into a $τ^+ τ^-$ pair.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Incorporate day-ahead robustness and real-time incentives for electricity market design

In this paper, we propose a two-stage electricity market framework to explore the participation of distributed energy resources (DERs) in a day-ahead (DA) market and a real-time (RT) market. The objective is to determine the optimal bidding strategies of the aggregated DERs in the DA market and generate online incentive signals for DER-owners to optimize the social-welfare taking into account network operational constraints. Distributionally robust optimization is used to explicitly incorporate data-based statistical information of renewable forecasts into the supply/demand decisions in the DA market. We evaluate the conservativeness of bidding strategies distinguished by different risk aversion settings. In the RT market, a bi-level time-varying optimization problem is proposed to design the online incentive signals to tradeoff the RT imbalance penalty for distribution system operators (DSOs) and the costs of individual DER-owners. This enables tracking their optimal dispatch to provide fast balancing services, in the presence of time-varying network states while satisfying the voltage regulation requirement. Simulation results on both DA wholesale market and RT balancing market demonstrate the necessity of this two-stage design, and its robustness to uncertainties, the performance of convergence, the tracking ability and the feasibility of the resulting network operations.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Dynamically robust coordinated set point tracking of distributed DERs at point of common coupling

Low-inertia operation of small-scale power systems, such as a microgrid or a portion of a long feeder, requires careful coordination of the controller performance of the constituting devices. This challenge is exacerbated in microgrids serving the functionalities of a conventional synchronous-based generation unit while comprised of smaller DERs operating mainly interfaced through power electronics converters. This paper builds on the idea of set point modulation and proposes a two-level control strategy that aims to achieve superior performance at the point of common coupling (PCC) of microgrids by combining a local control level with a distributed and coordinated level. Several case studies on both AC and DC systems, the CIGRE low-voltage benchmark system as the AC system and a test DC microgrid, validate the performance of the proposed approach. The real-world applicability of the approach is established via a high-fidelity power hardware-in-the-loop (PHIL) experimental setup and an application case study on grid frequency regulation. The proposed approach enables a microgrid to participate in ancillary service provisions where speed and quality of regulation are critical.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Plasma image classification using cosine similarity constrained convolutional neural network

Plasma jets are widely investigated both in the laboratory and in nature. Astrophysical objects such as black holes, active galactic nuclei and young stellar objects commonly emit plasma jets in various forms. With the availability of data from plasma jet experiments resembling astrophysical plasma jets, classification of such data would potentially aid in not only investigating the underlying physics of the experiments but also the study of astrophysical jets. In this work we use deep learning to process all of the laboratory plasma images from the Caltech Spheromak Experiment spanning two decades. We found that cosine similarity can aid in feature selection, classify images through comparison of feature vector direction and be used as a loss function for the training of AlexNet for plasma image classification. We also develop a simple vector direction comparison algorithm for binary and multi-class classification. Using our algorithm we demonstrate 93 % accurate binary classification to distinguish unstable columns from stable columns and 92 % accurate five-way classification of a small, labelled data set which includes three classes corresponding to varying levels of kink instability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Economic NMPC for a Reversible Solid Oxide Cell

Reversible solid oxide fuel cells (rSOCs) offer the flexibility to operate in tandem with the electric grid by switching between fuel cell and electrolysis modes based on real-time electricity prices. However, their complex, tightly coupled dynamic behavior poses significant challenges in determining optimal operating strategies. In this work, we present an economic nonlinear model predictive control (E-NMPC) framework to optimize the operation of rSOCs. The proposed E-NMPC is applied to a detailed rSOC flowsheet model that includes a utility scale rSOC module as well as balance-of-plant equipment necessary for thermal management. Our results demonstrate that in fuel cell mode, the E-NMPC strategy reduces hydrogen consumption compared to conventional set-point tracking NMPC, while maintaining the same level of electricity output. Also, in electrolysis mode, the E-NMPC yields a marginal improvement in hydrogen production. In addition, we explore the integration of a battery with the rSOC system to enhance flexibility in meeting electricity production and consumption targets.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Reaction Profiles and Kinetics for Radical–Radical Hydrogen Abstraction via Multireference Coupled Cluster Theory

Radical-radical abstractions in hydrocarbon oxidation chemistry are disproportionation reactions that are generally exothermic with little or no barrier yet are underappreciated and poorly studied. Such challenging multireference electronic structure problems are tackled here using the recently developed state-specific multireference coupled cluster methods Mk-MRCCSD and Mk-MRCCSD(T), as well as the companion perturbation theory Mk-MRPT2 and the established MRCISD, MRCISD+Q, and CASPT2 approaches. Reaction paths are investigated for five prototypes involving radical-radical hydrogen abstraction: H + BeH → H 2 + Be, H + NH 2 → H 2 + NH, CH 3 + C 2 H 5 → CH 4 + C 2 H 4 , H + C2H 5 → H 2 + C 2 H 4 , and H + HCO → H 2 + CO. Full configuration interaction (FCI) benchmark computations for the H + BeH, H + NH 2 , and H + HCO reactions prove that Mk-MRCCSD(T) provides superior accuracy for the interaction energies in the entrance channel, with mean absolute errors less than 0.3 kcal mol(-1) and percentage deviations less than 10% over the fragment separations of relevance to kinetics. To facilitate combustion studies, energetics for the CH 3 + C 2 H 5 , H + C 2 H 5 , and H + HCO reactions were computed at each level of theory with correlation-consistent basis sets (cc-pVXZ, X = T, Q 5) and extrapolated to the complete basis set (CBS) limit. These CBS energies were coupled with CASPT2 projected vibrational frequencies along a minimum energy path to obtain rate constants for these three reactions. The rigorous Mk-MRCCSD(T)/CBS results demonstrate unequivocally that these three reactions proceed with no barrier in the entrance channel, contrary to some earlier predictions. Mk-MRCCSD(T) also reveals that the economical CASPT2 method performs well for large interfragment separations but may deteriorate substantially at shorter distances.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Best practices for in-situ and operando techniques within electrocatalytic systems

In-situ and operando techniques in heterogeneous electrocatalysis are a powerful tool used to elucidate reaction mechanisms. Ultimately, they are key in determining concrete links between a catalyst’s physical/electronic structure and its activity en route to designing next-generation systems. To this end, the exact execution and interpretation of these lines of experiments is critical as this determines the strength of conclusions that can be drawn and what uncertainties remain. Instead of focusing on how techniques were used to understand systems, as is the case with most reviews on the topic, this work instead initiates a nuanced discussion of 1) how to best carry out each technique and 2) initiate a nuanced analysis of which level of insights can be drawn from the set of in-situ or operando experiments/controls carried out. We focus on several commonly used techniques, including vibrational (IR, Raman) spectroscopy, X-ray absorption spectroscopy and electrochemical mass spectrometry. In addition to this, we include sections of reactor design and the link with theoretical modelling that are applicable across all techniques. While we focus on heterogeneous electrocatalysis, we make links when appropriate to the areas of photo- and thermo-catalytic systems. We highlight common pitfalls in the field, how to avoid them, and what sets of complementary experiments may be used to strengthen the analysis. We end with an overview of what gaps remain in in-situ and operando techniques and what innovations must be made to overcome them.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

On the origin of magnetic anisotropy in 4f-free ferromagnets based on the CaCu 5 structure *

Using first-principles calculations, we investigate the origin of magnetocrystalline anisotropy in a series of 4f-electron-free intermetallics with CaCu 5 -based structures: YCo 5 , YCo 4 B, and Y 3 Co 13 B 2 . The electronic structure of these compounds is characterized by a set of narrow 3d bands near the Fermi level. In YCo 5 the easy-axis anisotropy originates primarily in the spin–orbit coupling-induced mixing of the electronic states with Co d x 2 -y 2 and d xy character. The analysis of k-resolved anisotropy shows that positive contributions accumulate from the entire Brillouin zone but are particularly large near the k z = 0 plane. The analysis of the single-site and two-site terms reveals a large positive single-site contribution to the magnetocrystalline anisotropy from the Co atoms on the honeycomb sublattice, along with two-site contributions from both honeycomb and kagome sublattices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Study of Key 57 Ni ⁢(𝑝,𝛾)⁢ 58 Cu Resonances to Understand 44 Ti Nucleosynthesis in Supernovae

An important validation of nucleosynthesis models of core-collapse supernovae is the comparison of radioisotope predictions to abundances inferred from observations of 𝛾 rays emitted in remnants. One such isotope, 44 Ti, is especially sensitive to the 57 Ni ⁢(𝑝,𝛾)⁢ 58 Cu reaction rate. Despite this importance, no experimentally constrained rate exists for this reaction. It is thus crucial to determine this rate. GRETINA ORRUBA: Dual Detectors for Experimental Structure Studies (GODDESS) was used along with the first use of the Enge split-pole spectrograph at Notre Dame to measure structure properties of 58 Cu via the 58 Ni ⁢( 3 He,𝑡)⁢ 58 Cu reaction. Here, the combined analysis of these complementary data sets allows for precise determination of 58 Cu level energies, and spins are constrained from analysis of the 𝛾-ray decay. 44 Ti yields were found to change by over 25% compared to previous estimates in model calculations using the new experimentally constrained reaction rate.

energy levels↗