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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Nature of Zirconia on a Copper Inverse Catalyst Under CO 2 Hydrogenation Conditions

The growing concern over the escalating levels of anthropogenic CO 2 emissions necessitates effective strategies for its conversion to valuable chemicals and fuels. In this research, we embark on a comprehensive investigation of the nature of zirconia on a copper inverse catalyst under the conditions of CO 2 hydrogenation to methanol. We employ density functional theory calculations in combination with the Grand Canonical Basin Hopping method, enabling an exploration of the free energy surface including a variable amount of adsorbates within the relevant reaction conditions. Our focus centers on a model three-atom Zr cluster on a Cu(111) surface decorated with various OH, O, and formate ligands, noted Zr 3 O x (OH) y (HCOO) z /Cu(111), revealing major changes in the active site induced by various reaction parameters such as the gas pressure, temperature, conversion levels, and CO 2 /H 2 feed ratios. Further, through our analysis, we have unveiled insights into the dynamic behavior of the catalyst. Specifically, under reaction conditions, we observe a large number of composition and structures with similar free energy for the catalyst, with respect to changing the type, number, and binding sites of adsorbates, suggesting that the active site should be regarded as a statistical ensemble of diverse structures that interconvert.

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

Muon track reconstruction in a segmented bolometric array using multi-objective optimization

Recent advances in segmented solid-state detector arrays for rare-event searches have allowed the technology to approach the ton-scale in detector mass and the scale of meters in size. Often focused around searches for neutrinoless double-beta decay or direct dark matter detection, such experiments also have the capability to search for exotic particles that leave track-like signatures across their volume. However, the segmented nature of such detector arrays often sets the spatial resolution and makes the problem of reconstructing track-like paths non-trivial. Here, in this paper, we present an algorithm that improves reconstruction of track-like events in segmented detectors using multi-objective optimization — a computational technique that optimizes more than one cost function at a time without specifying a quantitative weighting between them. Such a technique allows the reconstruction of tracks through a detector and the determination of path-lengths through individual elements. When combined with the reconstructed energy depositions in each element this allows for a calculation of the stopping power of track-like particles and opens the door to searches for particles with abnormal stopping power like monopoles or lightly-ionizing particles (LIPs). Results are presented which evaluate the precision of the reconstruction tools as they currently stand against Monte Carlo generated data. The algorithm is presented in the context of the CUORE experiment, but has applications to other segmented calorimeter detectors.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Adaptive Hierarchical Cyber Attack Detection and Localization in Active Distribution Systems

Development of a cyber security strategy for the active distribution systems is challenging due to the inclusion of distributed renewable energy generations. Here this paper proposes an adaptive hierarchical cyber attack detection and localization framework for distributed active distribution systems via analyzing electrical waveforms. Cyber attack detection is based on a sequential deep learning model, via which even minor cyber attacks can be identified. The two-stage cyber attack localization algorithm first estimates the cyber attack sub-region, and then localize the specified cyber attack within the estimated subregion. We propose a modified spectral clustering-based network partitioning method for the hierarchical cyber attack ‘coarse’ localization. Next, to further narrow down the cyber attack location, a normalized impact score based on waveform statistical metrics is proposed to obtain a ‘fine’ cyber attack location by characterizing different waveform properties. Finally, compared with classical and state-of-art methods, a comprehensive quantitative evaluation with two case studies shows promising estimation results of the proposed framework.

42 ENGINEERING↗
NASA NTRS1984

Processes and subdivisions in diogenites, a multivariate statistical analysis

Multivariate statistical techniques used on diogenite orthopyroxene analyses show the relationships that occur within diogenites and the two orthopyroxenite components (class I and II) in the polymict diogenite Garland. Cluster analysis shows that only Peckelsheim is similar to Garland class I (Fe-rich) and the other diogenites resemble Garland class II. The unique diogenite Y 75032 may be related to type I by fractionation. Factor analysis confirms the subdivision and shows that Fe does not correlate with the weakly incompatible elements across the entire pyroxene composition range, indicating that igneous fractionation is not the process controlling total diogenite composition variation. The occurrence of two groups of diogenites is interpreted as the result of sampling or mixing of two main sequences of orthopyroxene cumulates with slightly different compositions.

Harriott, T. A.↗
NASA NTRS2019

X-ray Binary Luminosity Function Scaling Relations for Local Galaxies Based on Subgalactic Modeling

We present new Chandra constraints on the X-ray luminosity functions(XLFs)of X-ray binary(XRB)populations, as well as their scaling relations, for a sample of 38 nearby galaxies(D = 3.4–29 Mpc). Our galaxy sample is drawn primarily from the Spitzer Infrared Nearby Galaxies Survey(SINGS)and contains a wealth of Chandra(5.8 Ms total)and multiwavelength data, allowing for star formation rates(SFRs)and stellar masses(M⁎)to be measured on subgalactic scales. We divided the 2478 X-ray-detected sources into 21 subsamples in bins of specific SFR(sSFR ≡ SFR/M⁎)and constructed XLFs. To model the XLF dependence on sSFR, we fit a global XLF model, containing contributions from high-mass XRBs(HMXBs), low-mass XRBs(LMXBs), and background sources from the cosmic X-ray background that respectively scale with SFR, M⁎, and sky area. We find an HMXB XLF that is more complex in shape than previously reported and an LMXB XLF that likely varies with sSFR, potentially due to an age dependence. When applying our global model to XLF data for each individual galaxy, we discover a few galaxy XLFs that significantly deviate from our model beyond statistical scatter. Most notably, relatively low-metallicity galaxies have an excess of HMXBs above≈10^(38)erg/s, and elliptical galaxies that have relatively rich populations of globular clusters(GCs)show excesses of LMXBs compared to the global model. Additional modeling of how the XRB XLF depends on stellar age, metallicity, and GC specific frequency is required to sufficiently characterize the XLFs of galaxies.

Bret D. Lehmer↗
DOE OSTI2026

An analytic approximation to the covariance between pre- and post-reconstruction galaxy two-point statistics

We present a simple analytic approximation for the covariance between pre-reconstruction galaxy power spectrum measurements and post-reconstruction two-point correlation functions. This cross-covariance is essential for joint analyses that combine full-shape clustering information with baryon acoustic oscillation (BAO) measurements, as commonly performed in modern spectroscopic surveys. Our model builds on the disconnected contribution to the covariance and accounts for the damping of correlations due to the BAO reconstruction process. We validate our analytic prescription against numerical simulations from the Dark Energy Spectroscopic Instrument (DESI), testing both idealized cubic geometries and realistic survey configurations including complex footprints and fiber assignment effects. Despite neglecting survey window functions in the analytic calculation, we find excellent agreement with simulation-based covariances and demonstrate that cosmological parameter constraints are virtually unchanged when using our approximation. Our results show that the pre-post cross-covariance is sufficiently small that even approximate treatments are adequate for cosmological inference, opening a pathway toward fully analytic covariance matrices for next-generation galaxy surveys.

baryon acoustic oscillations↗
NASA NTRS1994

Cold dark matter. 2: Spatial and velocity statistics

We examine high-resolution gravitational N-body simulations of the omega = 1 cold dark matter (CDM) model in order to determine whether there is any normalization of the initial density fluctuation spectrum that yields acceptable results for galaxy clustering and velocities. Dense dark matter halos in the evolved mass distribution are identified with luminous galaxies; the most massive halos are also considered as sites for galaxy groups, with a range of possibilities explored for the group mass-to-light ratios. We verify the earlier conclusions of White et al. (1987) for the low-amplitude (high-bias) CDM model-the galaxy correlation function is marginally acceptable but that there are too many galaxies. We also show that the peak biasing method does not accurately reproduce the results obtained using dense halos identified in the simulations themselves. The Cosmic Background Explorer (COBE) anisotropy implies a higher normalization, resulting in problems with excessive pairwise galaxy velocity dispersion unless a strong velocity bias is present. Although we confirm the strong velocity bias of halos reported by Couchman & Carlberg (1992), we show that the galaxy motions are still too large on small scales. We find no amplitude for which the CDM model can reconcile simultaneously and galaxy correlation function, the low pairwise velocity dispersion, and the richness distribution of groups and clusters. With the normalization implied by COBE, the CDM spectrum has too much power on small scales if omega = 1.

Gelb, James M.↗
DOE OSTI2025

sOPTICS: a modified density-based algorithm for identifying galaxy groups/clusters and brightest cluster galaxies

A direct approach to studying the galaxy–halo connection is to analyse groups and clusters of galaxies that trace the underlying dark matter haloes, emphasizing the importance of identifying galaxy clusters and their associated brightest cluster galaxies (BCGs). In this work, we test and propose a robust density-based clustering algorithm that outperforms the traditional Friends-of-Friends (FoF) algorithm in the currently available galaxy group/cluster catalogues. Our new approach is a modified version of the Ordering Points To Identify the Clustering Structure (OPTICS) algorithm, which accounts for line-of-sight positional uncertainties due to redshift space distortions by incorporating a scaling factor, and is thereby referred to as sOPTICS. When tested on both a galaxy group catalogue based on semi-analytic galaxy formation simulations and observational data, our algorithm demonstrated robustness to outliers and relative insensitivity to hyperparameter choices. In total, we compared the results of eight clustering algorithms. The proposed density-based clustering method, sOPTICS, outperforms FoF in accurately identifying giant galaxy clusters and their associated BCGs in various environments with higher purity and recovery rate, also successfully recovering 115 BCGs out of 118 reliable BCGs from a large galaxy sample. Furthermore, when applied to an independent observational catalogue without extensive re-tuning, sOPTICS maintains high recovery efficiency, confirming its flexibility and effectiveness for large-scale astronomical surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Convergent Concordant Mode Approach for Molecular Vibrations: CMA-2

The concordant mode approach (CMA) is a promising new scheme for dramatically increasing the system size and level of theory achievable in quantum chemical computations of molecular vibrational frequencies. Here, we achieve advances in the CMA hierarchy by computations targeting CCSD(T)/cc-pVTZ (coupled cluster singles and doubles with perturbative triples using a correlation-consistent polarized-valence triple-ζ basis set) benchmarks within the G2 molecular test set, executing a statistical analysis for 1501 frequencies from 111 compounds and then separately solving the refractory case of pyridine. First, MP2/cc-pVTZ (second-order Møller–Plesset perturbation theory with the same basis set) proves to be an excellent and preferred choice for generating the underlying (Level B) normal modes of the CMA scheme. Utilizing this Level B within the CMA-0A method reproduces the 1501 benchmark frequencies with a mean absolute error (MAE) of only 0.11 cm –1 and an attendant standard deviation of 0.49 cm –1 . Second, a convergent CMA-2 method is constituted that allows efficient computation of higher level (Level A) frequencies to any reasonable accuracy threshold by using only Hartree–Fock (HF) and MP2 or density functional theory (DFT) data to generate ξ parameters, which select the sparse off-diagonal force field elements for explicit evaluation at Level A. When Level B = MP2/cc-pVTZ, a cutoff of ξ = 0.02 provides an average maximum absolute error per molecule of only 0.17 cm –1 by incurring merely a 33% increase in average cost over CMA-0A. This CMA-2 method also eradicates the 4 problematic CMA-0A outliers of pyridine with even less effort (ξ = 0.04, 22% increase). Finally, the newly developed CMA procedures are shown to be highly successful when applied to 1-(1H-pyrrol-3-yl)ethanol, a new test molecule with diverse types of vibration.

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

Priors on red galaxy stochasticity from hybrid effective field theory

ABSTRACT We investigate the stochastic properties of typical red galaxy samples in a controlled numerical environment. We use halo occupation distribution (HOD) modelling to create mock realizations of three separate bright red galaxy samples consistent with data sets used for clustering and lensing analyses in modern galaxy surveys. Second-order Hybrid Effective Field Theory (HEFT) is used as a field-level forward model to describe the full statistical distribution of these tracer samples, and their stochastic power spectra are directly measured and compared to the Poisson shot-noise prediction. While all of the galaxy samples we consider are hosted within haloes with sub-Poisson stochasticity, we observe that the galaxy samples themselves possess stochasticities that range from sub-Poisson to super-Poisson, in agreement with predictions from the halo model. As an application of our methodology, we place priors on the expected degree of non-Poisson stochasticity in cosmological analyses using such samples. We expect these priors will be useful in reducing the complexity of the full parameter space for future analyses using second-order Lagrangian bias models. More generally, the techniques outlined here present the first application of HEFT methods to characterize models of the galaxy–halo connection at the field level, revealing new connections between once-disparate modelling frameworks.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Light element ($$Z=1,2$$) production from spontaneous ternary fission of $$^{252}$$Cf

Abstract The yields of light elements ( $$Z=1,2$$ Z = 1 , 2 ) obtained from spontaneous ternary fission of $$^{252}$$ 252 Cf are treated within a nonequilibrium approach, and the contribution of unstable nuclei and excited bound states is taken into account. These light cluster yields may be used to probe dense matter, and to infer in-medium corrections such as Pauli blocking which is determined by the nucleon density. Continuum correlations are calculated from scattering phase shifts using the Beth-Uhlenbeck formula, and the effect of medium modification is estimated. The relevant distribution is reconstructed from the measured yields of isotopes. This describes the state of the nucleon system at scission and cluster formation, using only three Lagrange parameters which are the nonequilibrium counterparts of the temperature and chemical potentials, as defined in thermodynamic equilibrium. We concluded that a simple nuclear statistical equilibrium model neglecting continuum correlations and medium effects is not able to describe the measured distribution of H and He isotopes. Moreover, the freeze-out concept may serve as an important ingredient to the nonequilibrium approach using the relevant statistical operator concept.

Röpke, G.↗
DOE OSTI2021

Planet Occurrence Rate Correlated to Stellar Dynamical History: Evidence from Kepler and Gaia

The dynamical history of stars influences the formation and evolution of planets significantly. To explore the influence of dynamical history on the planet formation and evolution using observations, we assume stars that experienced significantly different dynamical histories tend to have different relative velocities. Utilizing the accurate Gaia–Kepler Stellar Properties Catalog, we select single main-sequence stars and divide these stars into three groups according to their relative velocities, i.e., high-V, medium-V, and low-V stars. After considering the known biases from Kepler data and adopting prior and posterior correction to minimize the influence of stellar properties on planet occurrence rate, we find that high-V stars have a lower occurrence rate of super-Earths and sub-Neptunes (1–4 R {sub ⊕}, P < 100 days) and a higher occurrence rate of sub-Earth (0.5–1 R {sub ⊕}, P < 30 days) than low-V stars. Additionally, high-V stars have a lower occurrence rate of hot Jupiter-sized planets (4–20 R {sub ⊕}, P < 10 days) and a slightly higher occurrence rate of warm or cold Jupiter-sized planets (4–20 R {sub ⊕}, 10 < P < 400 days). After investigating multiplicity and eccentricity, we find that high-V planet hosts prefer a higher fraction of multiplanet systems and lower average eccentricity, which are consistent with the eccentricity–multiplicity dichotomy of Kepler planetary systems. All of these statistical results favor the scenario that high-V stars with large relative velocity may experience fewer gravitational events, while low-V stars may be influenced by stellar clustering significantly.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1982

Improved Model for MOS Breakdown

With an improved model, accelerated high-field tests can be used to predict gate-oxide breakdown in metal-oxide-semi-conductor (MOS) structures. Principal mechanism in MOS breakdown is mobile-ion emission from metal/oxide interface, which occurs during application of positive gate-bias field. Breakdown is related to clustering of emitted ions at localized defect sites in oxide/silicon interface. Using new model to interpret data, tests that normally take several weeks at low fields to accumulate sufficient statistics can be completed in only a few hours at high fields.

Li, S. P.↗
NASA NTRS1981

Spectroscopy in X-ray astronomy

Detailed features in cosmic X-ray sources and their associated temporal variation over a wide energy range were studied. Excess emission and absorption at approximately 6 to 7 kiloelectron volts in the spectra of supernova remnants, binary X-ray sources, and clusters of galaxies were observed. A gas scintillation proportional counter (GSPC) will be used as the detector system. In the gas scintillator the principal limitation is due to the statistics of the initial ionization process only.

Andresen, R.↗
NASA NTRS1984

LANDSAT-4 MSS and TM Spectral Class Comparison and Coherent Noise Analysis

A detailed spectral analysis is conducted of thematic mapper and MSS data for an area near Des Moines, Iowa. Data are utilized from 7 blocks distributed throughout the area which included agricultural, forest, suburan, urban, and water scene types. The blocks are processed using a clustering algorithm to produce up to 18 cluster groupings for each block. Each cluster class is then identified with a ground-cover class using aerial photography and maps of the area. The clusters from each of the 7 blocks are inspected with regard to separability, mean, and variances. The separability measure used in the transformed divergence function or processor measures the statistical distance between classes based on class means and covariance matrices. The measure has a maximum value of 2,000 and the minimum of 0. Spectrally, very close classes will typically have values as low as 50 to 500.

Anuta, P. E.↗
NASA NTRS1984

On the X-ray spectrum of the volume emissivity arising from Abell clusters

HEAO 1 A-2 X-ray spectra (2-15 keV) for an optically selected sample of Abell clusters of galaxies with z less than 0.1 have been analyzed to determine the energy dependence of the cosmological X-ray volume emissivity arising from such clusters. This spectrum is well fitted by an isothermal-bremsstrahlung model with kT = 7.4 + or - 1.5 KeV. This result is a test of the isothermal-volume-emissivity spectrum to be inferred from the conjecture that all contributing clusters may be characterized by kT = 7 keV, as assumed by McKee et al. (1980) in estimating the underlying luminosity function for the same sample. Although satisfied at the statistical level indicated, the analysis of a low-luminosity subsample suggests that this assumption of identical isothermal spectra would lead to a systematic error for a more statistically precise determination of the luminosity function's form.

Stottlemyer, A. R.↗
NASA NTRS2006

Solar Wind Excitation of Pc5 Fluctuations in the Magnetosphere and on the Ground

The primary purpose of this paper is to show the strong link between solar wind compressional fluctuations in the 1-8 mHz frequency range and Pc5 fluctuations in the magnetosphere near the magnetopause, at geosynchronous orbit, over the poles, and on the ground. We focus on a time interval in March and April 2002 when there was a favorable alignment of satellites combined with ten high speed solar wind streams. We used the S3C Great Observatory: specifically, ACE and Wind in the solar wind, Geotail near the magnetopause, GOES 8 and 10 at geosynchronous orbit, Cluster over the poles, and CANOPUS/CARISMA ground stations near the footpoints of magnetic field lines connected to either the magnetopause or the GOES satellites. Using four examples and a statistical survey we show that magnetospheric Pc5 fluctuations exist regardless of IMF orientation and for a wide range of speeds and dynamic pressures; the amplitude and power of magnetospheric fluctuations depends primarily on the amplitude and power of solar wind dynamic pressure fluctuations. The driving and response frequency of these geoeffective fluctuations is in the range 0.5 - 4 mHz. The most striking magnetospheric response occurs when the solar wind speed, dynamic pressure, and dynamic pressure fluctuations all increase at approximately the same time, as frequently occurs near the leading edge of high speed streams. We show evidence of oscillating Poynting Flux at the magnetopause determined using Geotail data that both excites a FLR and propagates evanescently inward. These observations suggest that, at least for this time interval at spring equinox, the entry path is from the dayside equatorial magnetopause inward; multiple field line resonances may be excited from the magnetopause to geosynchronous orbit by propagating compressional waves, with the power decreasing inward away from the magnetopause.

Kessel, Ramona L.↗
DOE OSTI2026

A continuous symmetry breaking measure for finite clusters using Jensen-Shannon divergence

A quantitative measure of symmetry breaking is introduced that allows the quantification of which symmetries are most strongly broken due to the introduction of some kind of defect in a perfect structure. The method uses a statistical approach based on the Jensen-Shannon divergence. The measure is calculated by comparing the transformed atomic density function with its original. Software code is presented that carries the calculations out numerically using Monte Carlo methods. The behavior of this symmetry breaking measure is tested for various cases including finite size crystallites (where the surfaces break the crystallographic symmetry), atomic displacements from high symmetry positions, and collective motions of atoms due to rotations of rigid octahedra. Finally, the approach provides a powerful tool for assessing local symmetry breaking and offers new insights that can help researchers understand how different structural distortions affect different symmetry operations.

atomic & molecular structure↗