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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

The Concentration–Mass relation of massive, dynamically relaxed galaxy clusters: agreement between observations and ΛCDM simulations

ABSTRACT The relationship linking a galaxy cluster’s total mass with the concentration of its mass profile and its redshift is a fundamental prediction of the Cold Dark Matter (CDM) paradigm of cosmic structure formation. However, confronting those predictions with observations is complicated by the fact that simulated clusters are not representative of observed samples where detailed mass profile constraints are possible. In this work, we calculate the symmetry-peakiness-alignment (SPA) morphology metrics for maps of X-ray emissivity from the three hundred project hydrodynamical simulations of galaxy clusters at four redshifts, and thereby select a sample of morphologically relaxed, simulated clusters, using observational criteria. These clusters have on average earlier formation times than the full sample, confirming that they are both morphologically and dynamically more relaxed than typical. We constrain the concentration–mass–redshift relation of both the relaxed and complete sample of simulated clusters, assuming power-law dependences on mass (κm) and 1 + z (κζ), finding κm = −0.12 ± 0.07 and κζ = −0.27 ± 0.19 for the relaxed subsample. From an equivalently selected sample of massive, relaxed clusters observed with Chandra, we find κm = −0.12 ± 0.08 and κζ = −0.48 ± 0.19, in good agreement with the simulation predictions. The simulated and observed samples also agree well on the average concentration at a pivot mass and redshift providing further validation of the ΛCDM paradigm in the properties of the largest gravitationally collapsed structures observed. This also represents the first clear detection of decreasing concentration with redshift, a longstanding prediction of simulations in data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Improving galaxy cluster selection with the outskirt stellar mass of galaxies

The number density and redshift evolution of optically selected galaxy clusters offer an independent measurement of the amplitude of matter fluctuations, 𝑆 8 . However, recent results have shown that clusters chosen by the redMaPPer algorithm show richness-dependent biases that affect the weak lensing signals and number densities of clusters, increasing uncertainty in the cluster mass calibration and reducing their constraining power. Here, in this work, we evaluate an alternative cluster proxy, outskirt stellar mass, 𝑀 out , defined as the total stellar mass within a [50, 100] kpc envelope centered on a massive galaxy. This proxy exhibits scatter comparable to redMaPPer richness, 𝜆, but is less likely to be subject to projection effects. We compare the Dark Energy Survey Year 3 redMaPPer cluster catalog with a 𝑀 out selected cluster sample from the Hyper-Suprime Camera survey. We use weak lensing measurements to quantify and compare the scatter of 𝑀 out and 𝜆 with halo mass. Our results show 𝑀 out has a scatter consistent with 𝜆, with a similar halo mass dependence, and that both proxies contain unique information about the underlying halo mass. We find 𝜆-selected samples introduce features into the measured Δ⁢Σ signal that are not well fit by a log-normal scatter only model, absent in 𝑀 out selected samples. Our findings suggest that 𝑀 out offers an alternative for cluster selection with more easily calibrated selection biases, at least at the generally lower richnesses probed here. Combining both proxies may yield a mass proxy with a lower scatter and more tractable selection biases, enabling the use of lower mass clusters in cosmology. Finally, we find the scatter and slope in the 𝜆 −𝑀 out scaling relation to be 0.49 ±0.02 and 0.38 ±0.09.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Solute clustering in polycrystals: Unveiling the interplay of grain boundary junction and long-range solute attraction effects

Spectral analysis of local atomic environments has become a powerful tool for studying solute atom segregation and interactions at grain boundaries in nanocrystalline alloys. When applied to individual grain boundaries, the spectral analysis has shown that solute-solute interaction can be either attractive or repulsive, with long-range relative attraction enhancing the likelihood for solute atoms to begin clustering. In this article, we combine this analysis with a new grain-boundary structure descriptor based on grain-boundary atom coordination, to investigate the impact of grain-boundary junctions on solute atom segregation in polycrystals. Specifically, we systematically characterize the tendency of solute clusters to begin forming at various types of ordinary grain boundaries, triple junctions, and high-order junctions in Ag polycrystals containing either Ni or Cu solute atoms. Our findings demonstrate that the formation of solute clusters at grain boundaries is primarily driven by long-range relative solute attraction, rather than short-range solute-solute interactions. Furthermore, this effect is most pronounced near grain-boundary junctions. Our study highlights the multiscale nature of solute segregation at crystalline interfaces and provides new insights into the complex phenomena governing heterogeneous solute segregation in grain-boundary networks.

Grain-boundary junction↗
DOE OSTI2025

Requirements on the gain calibration for LiteBIRD polarisation data with blind component separation

The detection of primordial B modes of the cosmic microwave background (CMB) could provide information about the early stages of the Universe's evolution. The faintness of this signal requires exquisite calibration accuracy and control of instrumental systematic effects which otherwise could bias the measurements. In this work, we study the impact of an imperfect relative polarisation gain calibration on the recovered value of the tensor-to-scalar ratio r for the LiteBIRD experiment, through the application of the blind Needlet Internal Linear Combination (NILC) foreground-cleaning method. We derive requirements on the relative calibration accuracy of the overall polarisation gain (Δg ν ) for each LiteBIRD frequency channel. Our results show that minimum variance techniques, as NILC, are less sensitive to systematic gain calibration uncertainties compared to a parametric approach, if the latter is not equipped with a proper modelling of these instrumental effects. In this study, the most stringent requirements are found in the channels where the CMB signal is relatively brighter, with the tightest constraints at 166 GHz (Δg ν ≈ 0.16%). This differs from the outcome of an analogous analysis performed with a parametric method, where the tightest requirements are obtained for the foreground-dominated channels. Gain calibration uncertainties, corresponding to the derived requirements, are then simultaneously propagated into all frequency channels. By doing so, we find that the overall impact on estimated r is lower than the total gain systematic budget for LiteBIRD approximately by a factor 5, due to the correlations of the impacts of gain calibration uncertainties in different frequency channels. In order to decouple the systematic effect from the specific choice of the model, we derive the requirements assuming constant spectral parameters for the foreground emission. To assess the robustness of the obtained results against more realistic scenarios, we repeat the analysis assuming sky models of intermediate and high complexity. In these further cases, we adopt an optimised NILC pipeline, called the Multi-Clustering NILC (MC-NILC). We find that the impact of gain calibration uncertainties on r is lower than the LiteBIRD gain systematics budget for the intermediate-complexity sky model. For the high-complexity case, instead, it would be necessary to tighten the requirements by a factor 1.8.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

FLAMINGO: combining kinetic SZ effect and galaxy–galaxy lensing measurements to gauge the impact of feedback on large-scale structure

Energetic feedback processes associated with accreting supermassive black holes can expel gas from massive haloes and significantly alter various measures of clustering on $\sim$Mpc scales, potentially biasing the values of cosmological parameters inferred from analyses of large-scale structure (LSS) if not modelled accurately. Here, we use the state-of-the-art FLAMINGO suite of cosmological hydrodynamical simulations to gauge the impact of feedback on large-scale structure by comparing to Planck + ACT stacking measurements of the kinetic Sunyaev–Zel’dovich (kSZ) effect of SDSS BOSS galaxies. We make careful like-with-like comparisons to the observations, aided by high precision KiDS and DES galaxy–galaxy lensing measurements of the BOSS galaxies to inform the selection of the simulated galaxies. In qualitative agreement with several recent studies using dark matter only simulations corrected for baryonic effects, we find that the kSZ effect measurements prefer stronger feedback than predicted by simulations which have been calibrated to reproduce the gas fractions of low redshift X-ray-selected groups and clusters. We find that the increased feedback can help to reduce the so-called $S_8$ tension between the observed and CMB-predicted clustering on small scales as probed by cosmic shear (although at the expense of agreement with the X-ray group measurements). However, the increased feedback is only marginally effective at reducing the reported offsets between the predicted and observed clustering as probed by the thermal SZ (tSZ) effect power spectrum and tSZ effect – weak lensing cross-spectrum, both of which are sensitive to higher halo masses than cosmic shear.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Conductive Organometallic Polymers from Soluble Superatom Ions

Superatomic crystals comprising ligand-capped, metal chalcogenide clusters and fullerenes are modular materials that exhibit enhanced electronic, magnetic, and thermal conductivity properties. We find that neutral, M 4 S 4 (M = Fe, Co) clusters stabilized with N -heterocyclic carbenes (NHCs) can transfer charge to C 60 fullerene to form binary superatomic crystals. Notably, these compounds are soluble in various organic solvents, allowing their properties to be investigated in solution, unlike traditional fullerene-based superatomic crystals. The ion pairs can be further assembled into organometallic polymers using Janus-bis(NHCs) to cross-link the oxidized M 4 S 4 units. We show that the superatomic polymers are more conductive than both the precursor superatomic crystals and the polymers containing only neutral M 4 S 4 clusters. Similar conductivity values can be obtained when neutral M 4 S 4 –NHC polymers are doped with solutions of C 60 fullerene. These findings demonstrate that next generation superatomic materials can be prepared via the combination of charge transfer and polymerization with appropriate cross-linking agents.

carbon nanomaterials↗
DOE OSTI2021

SPIDERS: an overview of the largest catalogue of spectroscopically confirmed x-ray galaxy clusters

SPIDERS is the spectroscopic follow-up effort of the Sloan Digital Sky Survey IV (SDSS-IV) project for the identification of X-ray selected galaxy clusters. We present our catalogue of 2740 visually inspected galaxy clusters as part of the SDSS Data Release 16 (DR16). Here we detail the target selection, our methods for validation of the candidate clusters, performance of the survey, the construction of the final sample, and a full description of what is found in the catalogue. Of the sample, the median number of members per cluster is approximately 10, with 818 having 15 or greater. We find that we are capable of validating over 99 per cent of clusters when five redshifts are obtained below z < 0.3 and when nine redshifts are obtained above z > 0.3. We discuss the improvements in this catalogue’s identification of cluster using 33 340 redshifts, with Δz phot /Δz spec ~100, over other photometric and spectroscopic surveys, as well as presenting an update to previous (σ–L X ) and (σ– λ ) relations. Finally, we present our cosmological constraints derived using the velocity dispersion function.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Dynamics of Magnus-dominated particle clusters, collisions, pinning, and ratchets

Motivated by the recent work in skyrmions and active chiral matter systems, we examine pairs and small clusters of repulsively interacting point particles in the limit where the dynamics is dominated by the Magnus force. We find that particles with the same Magnus force can form stable pairs, triples, and higher ordered clusters or exhibit chaotic motion. For mixtures of particles with opposite Magnus force, particle pairs can combine to form translating dipoles. Under an applied drive, particles with the same Magnus force translate; however, particles with different or opposite Magnus force exhibit a drive-dependent decoupling transition. When the particles interact with a repulsive obstacle, they can form localized orbits with depinning or unwinding transitions under an applied drive. We examine the interaction of these particles with clusters or lines of obstacles and find that the particles can become trapped in orbits that encircle multiple obstacles. Under an ac drive, we observe a series of ratchet effects, including ratchet reversals, for particles interacting with a line of obstacles due to the formation of commensurate orbits. Lastly, in assemblies of particles with mixed Magnus forces of the same sign, we find that the particles with the largest Magnus force become localized in the center of the cluster, while for mixtures with opposite Magnus forces, the motion is dominated by transient local pairs or clusters, where the translating pairs can be regarded as a form of active matter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Galaxy Clusters Selected via the Sunyaev–Zel’dovich Effect in the SPTpol 100-square-degree Survey

In this work, we present a catalog of galaxy cluster candidates detected in 100 square degrees surveyed with the SPTpol receiver on the South Pole Telescope. The catalog contains 89 candidates detected with a signal-to-noise ratio greater than 4.6. The candidates are selected using the Sunyaev–Zel'dovich effect at 95 and 150 GHz. Using both space- and ground-based optical and infrared telescopes, we have confirmed 81 candidates as galaxy clusters. We use these follow-up images and archival images to estimate photometric redshifts for 66 galaxy clusters and spectroscopic observations to obtain redshifts for 13 systems. An additional two galaxy clusters are confirmed using the overdensity of near-infrared galaxies only and are presented without redshifts. We find that 15 candidates (18% of the total sample) are at redshift z ≥ 1.0, with a maximum confirmed redshift of ${z}_{\max }=1.38\pm 0.10$. We expect this catalog to contain every galaxy cluster with ${M}_{500c}\gt 2.6\times {10}^{14}{M}_{\odot }{{h}}_{70}^{-1}$ and z > 0.25 in the survey area. The mass threshold is approximately constant above z = 0.25, and the complete catalog has a median mass of approximately ${M}_{500c}=2.7\times {10}^{14}{M}_{\odot }{{h}}_{70}^{-1}$. Compared to previous SPT works, the increased depth of the millimeter-wave data (11.2 and 6.5 μK-arcmin at 95 and 150 GHz, respectively) makes it possible to find more galaxy clusters at high redshift and lower mass.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Improving Cosmological Constraints from Galaxy Cluster Number Counts with CMB-cluster-lensing Data: Results from the SPT-SZ Survey and Forecasts for the Future

Abstract We show the improvement to cosmological constraints from galaxy cluster surveys with the addition of cosmic microwave background (CMB)-cluster lensing data. We explore the cosmological implications of adding mass information from the 3.1 σ detection of gravitational lensing of the CMB by galaxy clusters to the Sunyaev–Zel’dovich (SZ) selected galaxy cluster sample from the 2500 deg 2 SPT-SZ survey and targeted optical and X-ray follow-up data. In the ΛCDM model, the combination of the cluster sample with the Planck power spectrum measurements prefers σ 8 Ω m / 0.3 0.5 = 0.831 ± 0.020 . Adding the cluster data reduces the uncertainty on this quantity by a factor of 1.4, which is unchanged whether the 3.1 σ CMB-cluster lensing measurement is included or not. We then forecast the impact of CMB-cluster lensing measurements with future cluster catalogs. Adding CMB-cluster lensing measurements to the SZ cluster catalog of the ongoing SPT-3G survey is expected to improve the expected constraint on the dark energy equation of state w by a factor of 1.3 to σ ( w ) = 0.19. We find the largest improvements from CMB-cluster lensing measurements to be for σ 8 , where adding CMB-cluster lensing data to the cluster number counts reduces the expected uncertainty on σ 8 by respective factors of 2.4 and 3.6 for SPT-3G and CMB-S4.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Self-interaction error overbinds water clusters but cancels in structural energy differences

Here, we gauge the importance of self-interaction errors in density functional approximations (DFAs) for the case of water clusters. To this end, we used the Fermi–Löwdin orbital self-interaction correction method (FLOSIC) to calculate the binding energy of clusters of up to eight water molecules. Three representative DFAs of the local, generalized gradient, and metageneralized gradient families [i.e., local density approximation (LDA), Perdew–Burke–Ernzerhof (PBE), and strongly constrained and appropriately normed (SCAN)] were used. We find that the overbinding of the water clusters in these approximations is not a density-driven error. We show that, while removing self-interaction error does not alter the energetic ordering of the different water isomers with respect to the uncorrected DFAs, the resulting binding energies are corrected toward accurate reference values from higher-level calculations. In particular, self-interaction–corrected SCAN not only retains the correct energetic ordering for water hexamers but also reduces the mean error in the hexamer binding energies to less than 14 meV/ H 2 O from about 42 meV/ H 2 O for SCAN. By decomposing the total binding energy into many-body components, we find that large errors in the two-body interaction in SCAN are significantly reduced by self-interaction corrections. Higher-order many-body errors are small in both SCAN and self-interaction–corrected SCAN. These findings suggest that orbital-by-orbital removal of self-interaction combined with a proper DFA can lead to improved descriptions of water complexes.

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

A search for stellar structures around nine outer halo globular clusters in the Milky Way

We use deep imaging from the Dark Energy Camera to explore the peripheral regions of nine globular clusters in the outer halo of the Milky Way. Apart from Whiting 1 and NGC 7492, which are projected against the Sagittarius stream, we see no evidence for adjacent stellar populations to indicate any of these clusters is associated with coherent tidal debris from a destroyed host dwarf. We also find no evidence for tidal tails around any of the clusters in our sample; however, both NGC 1904 and 6981 appear to possess outer envelopes. Here, motivated by a slew of recent Gaia -based discoveries, we compile a sample of clusters with robust detections of extra-tidal structure, and search for correlations with orbital properties. While we observe that clusters with tidal tails are typically on moderately or very eccentric orbits that are highly inclined to the Galactic plane and often retrograde, these are neither necessary nor sufficient conditions for the formation of extra-tidal structure. That many objects with tidal tails appear to be accreted leads us to speculate that this lack of consistency may stem from the inhomogeneous dynamical history of the Milky Way globular cluster system. Finally, we note that clusters with prominent stellar envelopes detected in ground-based imaging (such as NGC 1851 and 7089) are now all known from Gaia to possess long tidal tails – experimental confirmation that the presence of an extended envelope is indicative of tidal erosion.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Clustering and runaway merging in a primordial black hole dominated universe

If primordial black holes (PBHs) are present in the early Universe, their contribution to the energy budget grows relative to that of radiation and generically becomes dominant unless the initial abundance is exponentially small. This black hole domination scenario is largely unconstrained for PBHs with masses ≲ 10 9 g, which evaporate prior to big bang nucleosynthesis. However, if the era of PBH domination is sufficiently long, the PBHs form clusters and can merge appreciably within these objects. We calculate the population statistics of these clusters within the Press-Schechter formalism and find that, for a wide range of PBH masses and Hubble rates at the onset of PBH domination, the mergers within PBH clusters can exhibit runaway behavior, where the majority of the cluster will eventually form a single black hole with a mass much greater than the original PBH mass. Finally, these mergers can dramatically alter the PBH mass distribution and leave behind merged relic black holes that evaporate after big bang nucleosynthesis and yield various observational signatures, excluding parameter choices previously thought to be viable.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Combined $\mathrm{APOGEE}$-$\mathrm{GALAH}$ stellar catalogues using the Cannon

APOGEE and GALAH are two high resolution multi-object spectroscopic surveys that provide fundamental stellar parameters and multiple elemental abundance estimates for about half a million stars in the Milky Way. Both surveys observe in different wavelength regimes and use different data reduction pipelines leading to significant offsets and trends in stellar parameters and abundances for the common stars observed in both surveys. Such systematic differences/offsets in stellar parameters and abundances make it difficult to effectively utilize them to investigate Galactic abundance trends in spite of the unique advantage provided by their complementary sky coverage and different Milky Way components they observe. Hence, we use the Cannon data-driven method selecting a training set of 4418 common stars observed by both surveys. This enables the construction of two catalogues, one with the APOGEE-scaled and the other with the GALAH-scaled stellar parameters. Using repeat observations in APOGEE and GALAH, we find high precision in metallicity (~0.02–0.4 dex) and alpha abundances (~0.02–0.03 dex) for spectra with good signal-to-noise ratio (SNR >; 80 for APOGEE and SNR > 40 for GALAH). We use open and globular clusters to validate our parameter estimates and find small scatter in metallicity (0.06 dex) and alpha abundances (0.03 dex) in APOGEE-scaled case. The final catalogues have been cross-matched with the Gaia EDR3 catalogue to enable their use to carry out detailed chemo-dynamic studies of the Milky Way from perspectives of APOGEE and GALAH.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Individual Data Sparsity in Smart Thermostat Big Data: Impacts on Modeling Thermostat Use Behavior Dynamics

This study explores the impacts of the sparsity of individual thermostat interaction data on modeling thermostat use behavior dynamics using a dataset of over 100,000 smart thermostats. In developing a data-driven model of Thermal Frustration Theory (TFT), we investigate the challenges and trade-offs in clustering occupant data to enhance predictive accuracy. Our findings reveal that a single, aggregated model fails to capture the diversity of occupant behaviors, resulting in extremely poor prediction performance. Conversely, excessive clustering exacerbates data sparsity, undermining model reliability. By identifying an optimal clustering strategy, we achieve a balance that significantly improves the prediction of manual setpoint changes during demand response (DR) events, enhancing energy management and occupant comfort

Fannon, David↗
DOE OSTI2026

Using X-ray spectrum imaging to quantify fission gas in high-burnup UO2 fuel

Analysis of fission gas bubbles (FGBs) in light-water reactor (LWR) fuel is needed to improve the understanding and predictive capability of fuel evolution under normal- and transient conditions. One of the most important parameters of a FGB is the pressure of the gas, primarily Xe, inside it. Bubble volume and location (inter- vs. intragranular) are important considerations as well. However, experimental analysis of such bubbles is challenging due to their small size and embedded nature, and usefulness of the data requires large numbers be analyzed. This paper proposes a method to measure the pressure of Xe bubbles using X-ray spectrum imaging (XSI) in scanning transmission electron microscopy (STEM). From X-ray generation and instrumental parameters, the number of Xe atoms yielding a given number of Xe L-series X-ray counts is estimated, and then from the estimated volume of the bubble the Xe density is estimated, which can then be converted to pressure via an equation-of-state. We apply the method to XSI datasets from high burnup (HBu) fuel from North Anna 1 reactor in as-irradiated and post-LOCA-test conditions and find Xe pressures in the FGBs clustered around 1 GPa.

Parish, Chad [ORNL] (ORCID:0000000312097439)↗
DOE OSTI2021

Impact of Transition Metal Doping on the Structural and Optical Properties of Halide Perovskites

Metal ion doping into halide perovskite materials is a promising approach to enhance long-term film stability and improve solar cell performance. Moreover, the idea of doping metals into halide perovskites is also driven by applications in heterogeneous catalysis. Here, we investigate the incorporation of the transition metals Pt and Pd into mixed-halide perovskite materials. We find that Pt aggregates in large clusters in iodine- and bromine-rich perovskite film compositions, whereas Pd incorporation depends on the underlying bromine to iodine ratio. Furthermore, by using optical and structural characterization methods, we observe that phase segregation in the perovskite layer is suppressed upon doping of either of these metals into the material. This approach further shows the potential to obtain catalytically active halide perovskite films in which the perovskite can serve as a host matrix.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗