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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 1,783 records · Page 99

All sources NASA NTRS DOE OSTI

DOE OSTI2012

NON-THERMAL EMISSIONS FROM COOL CORES HEATED BY COSMIC RAYS IN GALAXY CLUSTERS

We study non-thermal emissions from cool cores in galaxy clusters. We adopted a recent model in which cosmic rays (CRs) prevail in the cores and stably heat them through CR streaming. The non-thermal emissions come from the interaction between CR protons and intracluster medium (ICM). Comparison between the theoretical predictions and radio observations shows that the overall CR spectra must be steep, and most of the CRs in the cores are low-energy CRs. Assuming that the CRs are injected through active galactic nucleus activities, we study the nature of the shocks that are responsible for the CR acceleration. The steep CR spectra are likely to reflect the fact that the shocks travel in hot ICM with fairly small Mach numbers. We also study the dependence on the CR streaming velocity. The results indicate that synchrotron emissions from secondary electrons should be observed as radio mini-halos in the cores. In particular, low-frequency observations (e.g., LOFAR) are promising. However, the steepness of the spectra makes it difficult to detect non-thermal X-ray and gamma-ray emissions from the cores. The low-energy CRs may be heating optical filaments observed in the cores.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2013

Novae in globular clusters

We present the first light-curve analysis of Population II novae that appeared in M31 globular clusters. Our light-curve models, based on the optically thick wind theory, reproduce well both the X-ray turn-on and turnoff times with the white dwarf (WD) mass of about 1.2 M {sub ☉} for M31N 2007-06b in Bol 111 and about 1.37 M {sub ☉} for M31N 2010-10f in Bol 126. The transient supersoft X-ray source CXO J004345 in Bol 194 is highly likely a nova remnant of 1.2-1.3 M {sub ☉} WD. These WD masses are quite consistent with the temperatures deduced from X-ray spectra. We also present the dependence of nova light curves on the metallicity in the range from [Fe/H] = 0.4 to –2.7. Whereas strong optically thick winds are accelerated in Galactic disk novae owing to a large Fe opacity peak, only weak winds occur in Population II novae with low Fe abundance. Thus, nova light curves are systematically slow in low Fe environment. For an extremely low Fe abundance normal nova outbursts may not occur unless the WD is very massive. We encourage V or y filter observation rather than R as well as high cadence X-ray monitorings to open quantitative studies of extragalactic novae.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

Selective growth of Al 2 O 3 on size-selected platinum clusters by atomic layer deposition

In heterogeneous catalysis, atomic layer deposition (ALD) has been developed as a tool to stabilize and reduce carbon deposition on supported nanoparticles. Here, we discuss use of high vacuum ALD to deposit alumina films on size-selected, sub-nanometer Pt/SiO 2 model catalysts. Mass-selected Pt 24 clusters were deposited on oxidized Si(100), to form model Pt 24 /SiO 2 catalysts with particles shown to be just under 1 nm, with multilayer three dimensional structure. Alternating exposures to trimethylaluminum and water vapor in an ultra-high vacuum chamber were used to grow alumina on the samples without exposing them to air. Here, the samples were probed in situ using X-ray photoelectron spectroscopy (XPS), low-energy ion scattering spectroscopy (ISS), and CO temperature-programmed desorption (TPD). Additional samples were prepared for ex situ experiments using grazing incidence small angle xray scattering spectroscopy (GISAXS). Alumina growth is found to initiate at least 60 times more efficiently at the Pt 24 cluster sites, compared to bare SiO 2 /Si, with a single ALD cycle depositing a full alumina layer on top of the clusters, with substantial additional alumina growth initiating on SiO 2 sites surrounding the clusters. As a result, the clusters were completely passivated, with no exposed Pt binding sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

MATTER IN THE BEAM: WEAK LENSING, SUBSTRUCTURES, AND THE TEMPERATURE OF DARK MATTER

Warm dark matter (WDM) models offer an attractive alternative to the current cold dark matter (CDM) cosmological model. We present a novel method to differentiate between WDM and CDM cosmologies, namely, using weak lensing; this provides a unique probe as it is sensitive to all of the “matter in the beam,” not just dark matter haloes and the galaxies that reside in them, but also the diffuse material between haloes. We compare the weak lensing maps of CDM clusters to those in a WDM model corresponding to a thermally produced 0.5 keV dark matter particle. Our analysis clearly shows that the weak lensing magnification, convergence, and shear distributions can be used to distinguish between CDM and WDM models. WDM models increase the probability of weak magnifications, with the differences being significant to ≳5 σ , while leaving no significant imprint on the shear distribution. WDM clusters analyzed in this work are more homogeneous than CDM ones, and the fractional decrease in the amount of material in haloes is proportional to the average increase in the magnification. This difference arises from matter that would be bound in compact haloes in CDM being smoothly distributed over much larger volumes at lower densities in WDM. Moreover, the signature does not solely lie in the probability distribution function but in the full spatial distribution of the convergence field.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Hydrogen Evolution on Electrode‐Supported Pt n Clusters: Ensemble of Hydride States Governs the Size Dependent Reactivity

Abstract We report the size‐dependent activity and stability of supported Pt 1,4,7,8 for electrocatalytic hydrogen evolution reaction, and show that clusters outperform polycrystalline Pt in activity, with size‐dependent stability. To understand the size effects, we use DFT calculations to study the structural fluxionality under varying potentials. We show that the clusters can reshape under H coverage and populate an ensemble of states with diverse stoichiometry, structure, and thus reactivity. Both experiment and theory suggest that electrocatalytic species are hydridic states of the clusters (≈2 H/Pt). An ensemble‐based kinetic model reproduces the experimental activity trend and reveals the role of metastable states. The stability trend is rationalized by chemical bonding analysis. Our joint study demonstrates the potential‐ and adsorbate‐coverage‐dependent fluxionality of subnano clusters of different sizes and offers a systematic modeling strategy to tackle the complexities.

Zhang, Zisheng↗

DOE OSTI2013

Application of the AMPLE cluster-and-truncate approach to NMR structures for molecular replacement

Processing of NMR structures for molecular replacement by AMPLE works well. AMPLE is a program developed for clustering and truncating ab initio protein structure predictions into search models for molecular replacement. Here, it is shown that its core cluster-and-truncate methods also work well for processing NMR ensembles into search models. Rosetta remodelling helps to extend success to NMR structures bearing low sequence identity or high structural divergence from the target protein. Potential future routes to improved performance are considered and practical, general guidelines on using AMPLE are provided.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Electron ionization of clusters containing the formamide molecule

Abstract Studies on electron interactions with formamide (FA) clusters promote scientific interest as a model system to understand phenomena relevant to astrophysical, prebiotic, and radiobiological processes. In this work, mass spectrometric detection of cationic species for both small bare and microhydrated formamide clusters was performed at an electron ionization of 70 eV. Furthermore, a comparative analysis of the cluster spectra with the literature-reported gas-phase spectra is presented and discussed, revealing different reaction channels affected by the cluster environment. This study is essential in developing our understanding of both low-energy electron phenomena in clusters that can bridge the complexity gap between gas and realistic systems and the effect of hydration on electron-induced processes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1980

The double quasar Q0957 + 561 A, B - A gravitational lens image formed by a galaxy at z = 0.39

Deep CCD pictures show a rich cluster of galaxies around the double quasar Q0957 + 561 as well as faint extended wings on the image of the southern quasar. Calculations of gravitational imaging by King model mass distributions show that the cluster and the brightest galaxy together, acting as a gravitational lens on the light from a single, more distant QSO, can easily reproduce all of the present observations. It is concluded that the double quasar is almost certainly the multiple image of a single object produced by a gravitational lens.

Young, P.↗

DOE OSTI2018

Charge Composition of Ions in a Cluster Plasma Formed under the Action of a High-Power Laser Pulse

A model describing the ionization of atoms and ions in a cluster under irradiation by a short laser pulse has been constructed. It is shown that the electron-impact ionization weakly affects the final charge composition, and the main mechanism of ion formation in the cluster is the over-barrier ionization by an electric field. The electric field acting on atoms and ions is the result of combined action of the external laser field and the intrinsic electric field of the cluster. The key parameters of the cluster beam and the laser pulse, which determine the properties of the charge composition of the cluster plasma, have been established.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1987

New developments in studies of compact X-ray binaries

Several recent developments, both observational and theoretical, on the study of X-ray binaries and the compact objects they contain are discussed. The recent discovery of the first binary periods for the globular cluster X-ray sources has stimulated a new model for their origin. As a variant of the 'standard' tidal capture origin model, this predicts an enhanced number of neutron stars in globular clusters. Long term timing studies of X-ray binaries may be consistent with many of these systems, primarily X-ray burst sources, being in fact hierarchical triple systems. Finally, the radio studies of Cyg X-3 and other X-ray binaries suggest that nonthermal processes are as important, energetically, as accretion processes in these systems.

Grindlay, Jonathan E.↗

NASA NTRS1993

Robust root clustering for linear uncertain systems using generalized Lyapunov theory

Consideration is given to the problem of matrix root clustering in subregions of a complex plane for linear state space models with real parameter uncertainty. The nominal matrix root clustering theory of Gutman & Jury (1981) using the generalized Liapunov equation is extended to the perturbed matrix case, and bounds are derived on the perturbation to maintain root clustering inside a given region. The theory makes it possible to obtain an explicit relationship between the parameters of the root clustering region and the uncertainty range of the parameter space.

Yedavalli, R. K.↗

DOE OSTI2025

Bayesian prior construction for uncertainty quantification in first-principles statistical mechanics

First-principles statistical mechanics enables the prediction of thermodynamic and kinetic properties of materials, but is computationally expensive. Many approaches require surrogate models to calculate energies within Monte Carlo or molecular dynamics simulations. Inexpensive surrogates such as cluster expansions enable otherwise intractable calculations by interpolating data from higher accuracy methods, such as Density Functional Theory (DFT). Surrogate models introduce uncertainty into downstream calculations, in addition to any uncertainty inherent to DFT calculations. Bayesian frameworks address this by quantifying uncertainty and incorporating expert knowledge through priors. However, constructing effective priors remains challenging. This work introduces and describes practical strategies for building Bayesian cluster expansions, focusing on basis truncation, hyperparameter selection, and ground state replication. We analyze multiple basis truncation schemes, compare cross-validation to the evidence-approximation for hyperparameter optimization, and provide methods to find and enforce ground-state-preserving models through priors. Additionally, we compare the uncertainties between different approximations to DFT (LDA, PBE, SCAN) against the uncertainty introduced with the use of cluster expansion surrogate models. These approaches are demonstrated on the BCC Li x Mg 1-x and Li x Al 1-x alloys, which are both of interest for solid-state Li batteries. Our results provide guidelines for constructing and utilizing Bayesian cluster expansions, thereby improving the transparency of materials modeling. Furthermore, the approaches and insights developed in this work can be transferred to a wide range of cluster expansion surrogate models, including the atomic cluster expansion and related machine-learned interatomic potential architectures.

Alloy theory↗

NASA NTRS2013

On the Performance of Global Magnetohydrodynamic Models in the Earth's Magnetosphere

We study the performance of four magnetohydrodynamic models (BATS-R-US, GUMICS, LFM, Open GGCM) in the Earths magnetosphere. Using the Community Coordinated Modeling Centers Run-on-Request system, we compare model predictions with magnetic field measurements of the Cluster, Geotail and Wind spacecraft during a multiple substorm event. We also compare model cross polar cap potential results to those obtained from the Super Dual Auroral Radar Network(SuperDARN) and the model magnetopause standoff distances to an empirical magnetopause model. The correlation coefficient (CC) and prediction efficiency (PE) metrics are used to objectively evaluate model performance quantitatively. For all four models, the best performance outside geosynchronous orbit is found on the dayside. Generally, the performance of models decreases steadily down stream from the Earth. On the dayside most CCs are above 0.5 with CCs for Bx and Bz close to 0.9 for three out of four models. In the magnetotail at a distance of about -130 Earth radii from Earth, the prediction efficiency of all models is below that of using an average value for the prediction with the exception of Bz. Bx is most often best predicted and correlated both on the dayside and the nightside close to the Earth whereas in the far tail the CC and PE for Bz are substantially higher than other components in all models. We also find that increasing the resolution or coupling an additional physics module does notautomatically increase the model performance in the magnetosphere.

geomagnetic tail↗

DOE OSTI2012

TEMPERATURE STRUCTURE AND MASS-TEMPERATURE SCATTER IN GALAXY CLUSTERS

Precision cosmology studies based on wide-field surveys of galaxy clusters benefit from constraints on intrinsic scatter in mass-observable relationships. In principle, two-parameter models combining direct measurements of galaxy-cluster structural variation with mass proxies such as X-ray luminosity and temperature can be used to constrain scatter in the relationship between the mass proxy and the cluster's halo mass and to measure the redshift evolution of that scatter. One candidate for quantifying cluster substructure is the intracluster medium temperature inhomogeneity inferred from X-ray spectral properties, an example of which is T{sub HBR}, the ratio of hardband to broadband spectral-fit temperatures. In this paper we test the effectiveness of T{sub HBR} as an indicator of scatter in the mass-temperature relation using 118 galaxy clusters simulated with radiative cooling and feedback. We find that, while T{sub HBR} is correlated with clusters' departures {delta}ln T{sub X} from the mean M-T{sub X} relation, the effect is modest.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1984

IUE observations of the clusters of the Magellanic Clouds

IUE observations of 17 clusters in the Large Magellanic Cloud are presented. The derived ultraviolet colors become progressively redder as the cluster's classification in the scheme of Searle, Wilkinson, and Bagnuolo increases. With the aid of theoretical models of the integrated light of coeval clusters of varying ages, it is shown that the SWB classification is one of increasing age accompanied by decreasing metallicity toward later SWB classes. The behavior of the UV absorption line features in the integrated light of the LMC clusters supports the contention.

Cohen, J. G.↗

NASA NTRS1984

Blue clusters, populous clusters, and globulars

The introduction of new photometric techniques for faint objects has tremendously increased our understanding of the MC clusters, especially at the old end of the age spectrum. Many of the well-studied clusters of the past have gone through several transformations, starting as true globulars in 1960, becoming intermediate-age objects in the 1970's, but now returning to the true globular classification in the 1980's. LW 868 is an example of a cluster with such a history. Better photometric accuracy is also greatly improving our understanding of younger clusters, allowing detailed comparisons with theoretical evolutionary models, and a more reliable determination of the age-abundance relationship. The dynamical history of MC clusters can also be examined from the new data. The cluster formation rate, as well as the destruction rate, can be reconstructed from modern, deep cluster surveys.

Hodge, P. W.↗

DOE OSTI2014

Halo model and halo properties in Galileon gravity cosmologies

We investigate the performance of semi-analytical modelling of large-scale structure in Galileon gravity cosmologies using results from N-body simulations. We focus on the Cubic and Quartic Galileon models that provide a reasonable fit to CMB, SNIa and BAO data. We demonstrate that the Sheth-Tormen mass function and linear halo bias can be calibrated to provide a very good fit to our simulation results. We also find that the halo concentration-mass relation is well fitted by a power law. The nonlinear matter power spectrum computed in the halo model approach is found to be inaccurate in the mildly nonlinear regime, but captures reasonably well the effects of the Vainshtein screening mechanism on small scales. In the Cubic model, the screening mechanism hides essentially all of the effects of the fifth force inside haloes. In the case of the Quartic model, the screening mechanism leaves behind residual modifications to gravity, which make the effective gravitational strength time-varying and smaller than the standard value. Compared to normal gravity, this causes a deficiency of massive haloes and leads to a weaker matter clustering on small scales. For both models, we show that there are realistic halo occupation distributions of Luminous Red Galaxies that can match both the observed large-scale clustering amplitude and the number density of these galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2018

Unsupervised Clustering-Based Short-Term Solar Forecasting

Solar forecasting accuracy is highly affected by weather conditions, therefore, weather awareness forecasting models are expected to improve the forecasting performance. However, it may not be available or reliable to classify different forecasting tasks by only using predefined meteorological weather categorization. In this paper, an unsupervised clustering-based (UC-based) solar forecasting method is developed for short-term (1-h-ahead) global horizontal irradiance (GHI) forecasting. This UC-based method consists of three parts: GHI time series unsupervised clustering, pattern recognition, and UC-based forecasting. The daily GHI time series is first clustered by an Optimized Cross-validated ClUsteRing (OCCUR) method, which determines the optimal number of clusters and best clustering results. Then, support vector machine pattern recognition is adopted to recognize the category of a certain day using the first four hours' data in the forecasting stage. GHI forecasts are generated by the most suitable models in different clusters, which are built by a two-layer machine learning based multi-model (M3) forecasting framework. The developed UC-M3 method is validated by using 1-year of data with 13 solar features from three information sources. Numerical results show that 1) UC-based models outperform non-UC (all-in-one) models with the same M3 architecture by approximately 20%; and 2) M3-based models also outperform the single-algorithm machine learning models by approximately 20%.

14 SOLAR ENERGY↗