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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

CASM — A software package for first-principles based study of multicomponent crystalline solids

CASM is a software package that enables first-principles based studies of crystalline materials. It has been designed to treat coupled chemical, mechanical, vibrational, and magnetic degrees of freedom to determine ground state and finite temperature properties of crystals. The symmetry of the underlying parent crystal structure is used to enumerate perturbations of the parent crystal structure and generate derivative structures which can be input to first-principles calculations in order to explore the ground state energy landscape. CASM algorithmically constructs cluster expansions that fully couple discrete and continuous degrees of freedom, and generates highly efficient code to evaluate the cluster expansion basis functions. Widely used machine learning methods are integrated for fitting expansion coefficients to first-principle calculations. The fully parameterized cluster expansions can be combined with (kinetic) Monte Carlo methods to calculate finite temperature thermodynamic and kinetic properties. CASM Alloy Manager identifies distinct parent crystal structures in an alloy system, creating individual projects for each, and integrating the results. The integrated infrastructure facilitates the linkage between first-principles statistical mechanics predictions with higher length scale computational methods, such as phase field simulations. In conclusion, CASM projects are designed to be easy to share in repositories, to re-use, and to extend to include additional chemical species or types of degrees of freedom.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Inverse design of equilibrium cluster fluids applied to a physically informed model

Inverse design strategies have proven highly useful for the discovery of interaction potentials that prompt self-assembly of a variety of interesting structures. However, often the optimized particle interactions do not have a direct relationship to experimental systems. In this work, we show that Relative Entropy minimization is able to discover physically meaningful parameter sets for a model interaction built from depletion attraction and electrostatic repulsion that yield self-assembly of size-specific clusters. Here, we then explore the sensitivity of the optimized interaction potentials with respect to deviations in the underlying physical quantities, showing that clustering behavior is largely preserved even as the optimized parameters are perturbed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Cosmological shocks around galaxy clusters: A coherent investigation with DES, SPT & ACT

We search for signatures of cosmological shocks in gas pressure profiles of galaxy clusters using the cluster catalogs from three surveys: the Dark Energy Survey (DES) Year 3, the South Pole Telescope (SPT) SZ survey, and the Atacama Cosmology Telescope (ACT) data releases 4, 5, and 6, and using thermal Sunyaev-Zeldovich (SZ) maps from SPT and ACT. The combined cluster sample contains around $10^5$ clusters with mass and redshift ranges $10^{13.7} < M_{\rm 200m}/M_\odot < 10^{15.5}$ and $0.1 < z < 2$, and the total sky coverage of the maps is $\approx 15,000 \,\,{\rm deg}^2$. We find a clear pressure deficit at $R/R_{\rm 200m}\approx 1.1$ in SZ profiles around both ACT and SPT clusters, estimated at $6\sigma$ significance, which is qualitatively consistent with a shock-induced thermal non-equilibrium between electrons and ions. The feature is not as clearly determined in profiles around DES clusters. We verify that measurements using SPT or ACT maps are consistent across all scales, including in the deficit feature. The SZ profiles of optically selected and SZ-selected clusters are also consistent for higher mass clusters. Those of less massive, optically selected clusters are suppressed on small scales by factors of 2-5 compared to predictions, and we discuss possible interpretations of this behavior. An oriented stacking of clusters -- where the orientation is inferred from the SZ image, the brightest cluster galaxy, or the surrounding large-scale structure measured using galaxy catalogs -- shows the normalization of the one-halo and two-halo terms vary with orientation. Finally, the location of the pressure deficit feature is statistically consistent with existing estimates of the splashback radius.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Dark Energy Survey Year 3 results: Cosmology from cosmic shear and robustness to data calibration

This work, together with its companion paper, Secco, Samuroff et al., presents the Dark Energy Survey Year 3 cosmic shear measurements and cosmological constraints based on an analysis of over 100 million source galaxies. With the data spanning 4143 deg 2 on the sky, divided into four redshift bins, we produce the highest significance measurement of cosmic shear to date, with a signal-to-noise of 40. We conduct a blind analysis in the context of the ΛCDM model and find a 3% constraint of the clustering amplitude, S 8 ≡ σ 8 (Ω m /0.3) 0.5 = 0.759$^{+0.025}_{-0.023}$. A ΛCDM-Optimized analysis, which safely includes smaller scale information, yields a 2% precision measurement of S 8 = 0.772$^{+0.018}_{-0.017}$ that is consistent with the fiducial case. The two low-redshift measurements are statistically consistent with the Planck Cosmic Microwave Background result, however, both recovered S 8 values are lower than the high-redshift prediction by 2.3σ and 2.1σ (ρ-values of 0.02 and 0.05), respectively. The measurements are shown to be internally consistent across redshift bins, angular scales and correlation functions. The analysis is demonstrated to be robust to calibration systematics, with the S 8 posterior consistent when varying the choice of redshift calibration sample, the modeling of redshift uncertainty and methodology. Similarly, we find that the corrections included to account for the blending of galaxies shifts our best-fit S 8 by 0.5σ without incurring a substantial increase in uncertainty. We examine the limiting factors for the precision of the cosmological constraints and find observational systematics to be subdominant to the modeling of astrophysics. Specifically, we identify the uncertainties in modeling baryonic effects and intrinsic alignments as the limiting systematics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Surface warming in global cities is substantially more rapid than in rural background areas

Warming trends in cities are influenced both by large-scale climate processes and by local-scale urbanization. However, little is known about how surface warming trends of global cities differ from those characterized by weather observations in the rural background. Here, through statistical analyses of satellite land surface temperatures (2002 to 2021), we find that the mean surface warming trend is 0.50 ± 0.20 K·decade –1 (mean ± one S.D.) in the urban core of 2000-plus city clusters worldwide, and is 29% greater than the trend for the rural background. On average, background climate change is the largest contributor explaining 0.30 ± 0.11 K·decade –1 of the urban surface warming. In city clusters in China and India, however, more than 0.23 K·decade –1 of the mean trend is attributed to urban expansion. We also find evidence of urban greening in European cities, which offsets 0.13 ± 0.034 K·decade –1 of background surface warming.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

X-ray morphology of cluster-mass haloes in self-interacting dark matter

ABSTRACT We perform cosmological zoom-in simulations of 19 relaxed cluster-mass haloes with the inclusion of adiabatic gas in the cold dark matter (CDM) and self-interacting dark matter (SIDM) models. These clusters are selected as dynamically relaxed clusters from a parent simulation with $M_{\rm 200} \simeq (1\!-\!3)\times 10^{15}{\, \rm M_\odot }$. Both the dark matter and the intracluster gas distributions in SIDM appear more spherical than their CDM counterparts. Mock X-ray images are generated based on the simulations and are compared to the real X-ray images of 84 relaxed clusters selected from the Chandra and ROSAT archives. We perform ellipse fitting for the isophotes of mock and real X-ray images and obtain the ellipticities at cluster-centric radii of $r\simeq 0.1\!-\!0.2R_{\rm 200}$. The X-ray isophotes in SIDM models with increasing cross-sections are rounder than their CDM counterparts, which manifests as a systematic shift in the distribution function of ellipticities. Unexpectedly, the X-ray morphology of the observed non-cool-core clusters agrees better with SIDM models with cross-section $(\sigma /m)= 0.5\!-\!1\, {\rm cm}^2\, {\rm g}^{-1}$ than CDM and SIDM with $(\sigma /m)=0.1\, {\rm cm}^2\, {\rm g}^{-1}$. Our statistical analysis indicates that the latter two models are disfavoured at the $68{{\ \rm per\ cent}}$ confidence level (as conservative estimates). This conclusion is not altered by shifting the radial range of measurements or applying a temperature selection criterion. However, the primary uncertainty originates from the lack of baryonic physics in the adiabatic model, such as cooling, star formation and feedback effects, which still have the potential to reconcile CDM simulations with observations.

Shen, Xuejian (ORCID:000000026196823X)↗
DOE OSTI2023

Target selection for the DESI Peculiar Velocity Survey

ABSTRACT We describe the target selection and characteristics of the DESI Peculiar Velocity Survey, the largest survey of peculiar velocities (PVs) using both the fundamental plane (FP) and the Tully–Fisher (TF) relationship planned to date. We detail how we identify suitable early-type galaxies (ETGs) for the FP and suitable late-type galaxies (LTGs) for the TF relation using the photometric data provided by the DESI Legacy Imaging Survey DR9. Subsequently, we provide targets for 373 533 ETGs and 118 637 LTGs within the Dark Energy Spectroscopic Instrument (DESI) 5-yr footprint. We validate these photometric selections using existing morphological classifications. Furthermore, we demonstrate using survey validation data that DESI is able to measure the spectroscopic properties to sufficient precision to obtain PVs for our targets. Based on realistic DESI fibre assignment simulations and spectroscopic success rates, we predict the final DESI PV Survey will obtain ∼133 000 FP-based and ∼53 000 TF-based PV measurements over an area of 14 000 deg2. We forecast the ability of using these data to measure the clustering of galaxy positions and PVs from the combined DESI PV and Bright Galaxy Surveys (BGS), which allows for cancellation of cosmic variance at low redshifts. With these forecasts, we anticipate a 4 per cent statistical measurement on the growth rate of structure at z < 0.15. This is over two times better than achievable with redshifts from the BGS alone. The combined DESI PV and BGS will enable the most precise tests to date of the time and scale dependence of large-scale structure growth at z < 0.15.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

The DESI one-per cent survey: exploring the halo occupation distribution of luminous red galaxies and quasi-stellar objects with AbacusSummit

ABSTRACT We present the first comprehensive halo occupation distribution (HOD) analysis of the Dark Energy Spectroscopic Instrument (DESI) One-Percent Survey luminous red galaxy (LRG) and Quasi Stellar Object (QSO) samples. We constrain the HOD of each sample and test possible HOD extensions by fitting the redshift-space galaxy 2-point correlation functions in 0.15 < r < 32 h−1 Mpc in a set of fiducial redshift bins. We use AbacusSummit cubic boxes at Planck 2018 cosmology as model templates and forward model galaxy clustering with the AbacusHOD package. We achieve good fits with a standard HOD model with velocity bias, and we find no evidence for galaxy assembly bias or satellite profile modulation at the current level of statistical uncertainty. For LRGs in 0.4 < z < 0.6, we infer a satellite fraction of $f_\mathrm{sat} = 11\pm 1~{y{\ \mathrm{per\,cent}}}$, a mean halo mass of $\log _{10}\overline{M}_h/M_\odot =13.40^{+0.02}_{-0.02}$, and a linear bias of $b_\mathrm{lin} = 1.93_{-0.04}^{+0.06}$. For LRGs in 0.6 < z < 0.8, we find $f_\mathrm{sat}=14\pm 1~{{\ \mathrm{per\,cent}}}$, $\log _{10}\overline{M}_h/M_\odot =13.24^{+0.02}_{-0.02}$, and $b_\mathrm{lin}=2.08_{-0.03}^{+0.03}$. For QSOs, we infer $f_\mathrm{sat}=3^{+8}_{-2}\mathrm{per\,cent}$, $\log _{10}\overline{M}_h/M_\odot = 12.65^{+0.09}_{-0.04}$, and $b_\mathrm{lin} = 2.63_{-0.26}^{+0.37}$ in redshift range 0.8 < z < 2.1. Using these fits, we generate a large suite of high fidelity galaxy mocks, forming the basis of systematic tests for DESI Y1 cosmological analyses. We also study the redshift-evolution of the DESI LRG sample from z = 0.4 up to z = 1.1, revealling significant and interesting trends in mean halo mass, linear bias, and satellite fraction.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Coherency-Constrained Spectral Clustering for Power Network Reduction

This paper presents a methodology for reducing the complexity of large-scale power network models using spectral clustering, aggregation of electrical components, and cost function approximation. Two approaches are explored using unconstrained and constrained spectral clustering to determine areas for effective system reduction. Once the system areas are determined, both loads and generators by type are aggregated, and their new cost function is approximated through polynomial curve-fitting or statistical methods. The performance of reduced networks is evaluated in terms of their ability to follow the true daily cost of the original system over a 24-hour period considering a set of several days. Two test systems are taken as test beds. Application of the methodology to a modified version of the IEEE 39-bus system reduces it from 17 generators to a 4-bus system and 9 generators with about 93% of accuracy. Similarly, the IEEE 118-bus system is reduced from 19 generators to a 3-bus system with three aggregated units achieving over 99% of accuracy. These findings address scalability challenges and enhance accuracy for high and mid-loading level conditions, and by aggregating thermal units with similar cost functions.

42 ENGINEERING↗
NASA NTRS1986

Statistics of voids in hierarchical universes

As one alternative to the N-point galaxy correlation function statistics, the distribution of holes or the probability that a volume of given size and shape be empty of galaxies can be considered. The probability of voids resulting from a variety of hierarchical patterns of clustering is considered, and these are compared with the results of numerical simulations and with observations. A scaling relation required by the hierarchical pattern of higher order correlation functions is seen to be obeyed in the simulations, and the numerical results show a clear difference between neutrino models and cold-particle models; voids are more likely in neutrino universes. Observational data do not yet distinguish but are close to being able to distinguish between models.

Fry, J. N.↗
NASA NTRS1986

Solar microwave millisecond spike at 2.84 GHz

Using the high time resolution of 1 ms, the data of solar microwave millisecond spike (MMS) event was recorded more than two hundred times at the frequency of 2.84 GHz at Beijing (Peking) Observatory since May 1981. A preliminary analysis was made. It can be seen from the data that the MMS-events have a variety of the fast activities such as the dispersed and isolated spikes, the clusters of the crowded spikes, the weak spikes superimposed on the noise background, and the phenomena of absorption. The marked differences from that observed with lower time resolution are presented. Using the data, a valuable statistical analysis was made. There are close correlations between MMS-events and hard X-ray bursts, and fast drifting bursts. The MMS events are highly dependent on the type of active regions and the magnetic field configuration. It seems to be crucial to find out the accurate positions on the active region where the MMS-events happen and to make co-operative observations at different bands during the special period when specific active regions appear on the solar disk.

Fu, Qi-Jun↗
NASA NTRS1988

Color and population gradients in the core of the postcollapse globular cluster M30

A new technique has been developed for seeking color gradients in multicolor CCD images of a globular cluster. Application of this technique to M30 confirms the radial color gradient reported by others. The B - V and V - R colors show linear gradients, when plotted against log r, that are many times their statistical errors. In the radial range 3-100 arcsec, the B - V and V - R colors increase outwards by about (0.18 + or - 0.015) mag/dex and (0.09 + or - 0.01) mag/dex, respectively. Color-magnitude arrays of the central region show that the Balmer-line strength that accompanies the central blueness is due to an increased proportion of blue-horizontal-branch starlight in the center. This excess does not appear to be statistically significant in terms of star numbers, even though the color gradient is so highly significant.

Piotto, Giampaolo↗
NASA NTRS1990

Core mass at the helium flash from observations and a new bound on neutrino electromagnetic properties

Existing measurements of the bolometric magnitudes of the brightest red giants in 26 globular clusters are used to determine the brightness difference between the tip of the red giant branch (on average found to be 0.1 mag brighter than the brightest red giant) and RR Lyrae stars. The metallicity variation of the result agrees perfectly with theoretical predictions. In conjunction with previous determinations of the number ratio of horizontal-branch versus red giant stars, with statistical parallax determinations of RR Lyrae absolute luminosities, and with theoretical predictions based on the Sweigart and Gross evolutionary sequences, this result yields an allowed range for a hypothetical core mass variation relative to the standard results of (0.009 + or - 0.012) solar mass. If neutrinos had anomalous electromagnetic dipole moments, the increased energy loss near the helium flash would lead to an increased core mass. Constraints on neutrino electromagnetic properties are determined from the color-magnitude diagrams of the globular clusters.

Raffelt, Georg G.↗
DOE OSTI2024

Community detection in hypergraphs via mutual information maximization

Abstract The hypergraph community detection problem seeks to identify groups of related vertices in hypergraph data. We propose an information-theoretic hypergraph community detection algorithm which compresses the observed data in terms of community labels and community-edge intersections. This algorithm can also be viewed as maximum-likelihood inference in a degree-corrected microcanonical stochastic blockmodel. We perform the compression/inference step via simulated annealing. Unlike several recent algorithms based on canonical models, our microcanonical algorithm does not require inference of statistical parameters such as vertex degrees or pairwise group connection rates. Through synthetic experiments, we find that our algorithm succeeds down to recently-conjectured thresholds for sparse random hypergraphs. We also find competitive performance in cluster recovery tasks on several hypergraph data sets.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1994

Performance Measurement, Visualization and Modeling of Parallel and Distributed Programs

This paper presents a methodology for debugging the performance of message-passing programs on both tightly coupled and loosely coupled distributed-memory machines. The AIMS (Automated Instrumentation and Monitoring System) toolkit, a suite of software tools for measurement and analysis of performance, is introduced and its application illustrated using several benchmark programs drawn from the field of computational fluid dynamics. AIMS includes (i) Xinstrument, a powerful source-code instrumentor, which supports both Fortran77 and C as well as a number of different message-passing libraries including Intel's NX Thinking Machines' CMMD, and PVM; (ii) Monitor, a library of timestamping and trace -collection routines that run on supercomputers (such as Intel's iPSC/860, Delta, and Paragon and Thinking Machines' CM5) as well as on networks of workstations (including Convex Cluster and SparcStations connected by a LAN); (iii) Visualization Kernel, a trace-animation facility that supports source-code clickback, simultaneous visualization of computation and communication patterns, as well as analysis of data movements; (iv) Statistics Kernel, an advanced profiling facility, that associates a variety of performance data with various syntactic components of a parallel program; (v) Index Kernel, a diagnostic tool that helps pinpoint performance bottlenecks through the use of abstract indices; (vi) Modeling Kernel, a facility for automated modeling of message-passing programs that supports both simulation -based and analytical approaches to performance prediction and scalability analysis; (vii) Intrusion Compensator, a utility for recovering true performance from observed performance by removing the overheads of monitoring and their effects on the communication pattern of the program; and (viii) Compatibility Tools, that convert AIMS-generated traces into formats used by other performance-visualization tools, such as ParaGraph, Pablo, and certain AVS/Explorer modules.

Yan, Jerry C.↗
DOE OSTI2022

First-principles analysis of the Al-rich corner of Al-Li-Cu phase diagram

The phase diagram of Al-Li-Cu system in the Al-rich region was determined by means of first-principles calculations and statistical mechanics. The mixing enthalpies of many configurations for different lattices in the whole Al-Li-Cu system were determined by density functional theory simulations to find the stable phases in the convex hull. They were fitted with a cluster expansion to calculate the free energy of the configurations with different compositions as a function of temperature in the Al-rich region (Al content > 40 at.%) by means of Monte Carlo simulations. It was found that the ground state phases in the Al-rich part of the Al-Li-Cu phase diagram were α-Al, θ' (Al 2 Cu), $δ$' (Al 3 Li), $δ$ (AlLi) and T 1 (Al 6 Cu 4 Li 3 ), while θ'' (Al 3 Cu), T 1' (Al 2 CuLi) and Al 3 Cu 2 Li were found on the lowest mixing enthalpy surfaces of their lattices and were metastable. α-Al, $δ$ and T 1 are stable phases in the whole temperature range while $δ$' becomes metastable at very low temperature and θ (Al 2 Cu) replaces θ' as the stable phase at approximately 550 K due to the vibrational entropic contribution. In addition, the phase diagram in the Al-rich region was built and it was shown in isothermal sections from 100 to 900 K. They were in good agreement with the limited experimental data in the literature and provided new information regarding the stability, solubility and stoichiometry of the different phases. This information is important to understand the precipitation mechanisms during high temperature aging.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Fisher for complements: extracting cosmology and neutrino mass from the counts-in-cells PDF

In this work, we comprehensively analyse the cosmology dependence of counts-in-cells statistics. Furthermore, we focus on the shape of the one-point probability distribution function (PDF) of the matter density field at mildly non-linear scales. Based on large-deviation statistics, we parametrize the cosmology dependence of the matter PDF in terms of the linear power spectrum, the growth factor, the spherical collapse dynamics, and the non-linear variance. We extend our formalism to include massive neutrinos, finding that the total matter PDF is highly sensitive to the total neutrino mass Mν and can disentangle it from the clustering amplitude σ 8 . Additionally, using more than a million PDFs extracted from the Quijote simulations, we determine the response of the matter PDF to changing parameters in the νΛCDM model and successfully cross-validate the theoretical model and the simulation measurements. We present the first νΛCDM Fisher forecast for the matter PDF at multiple scales and redshifts, and its combination with the matter power spectrum. We establish that the matter PDF and the matter power spectrum are highly complementary at mildly non-linear scales. The matter PDF is particularly powerful for constraining the matter density Ωm, clustering amplitude σ 8 and the total neutrino mass Mν. Adding the mildly non-linear matter PDF to the mildly non-linear matter power spectrum improves constraints on Ω m by a factor of 5 and σ 8 by a factor of 2 when considering the three lowest redshifts. In our joint analysis of the matter PDF and matter power spectrum at three redshifts, the total neutrino mass is constrained to better than 0.01 eV with a total volume of 6 (Gpc h -1 ) 3 . We discuss how density-split statistics can be used to translate those encouraging results for the matter PDF into realistic observables in galaxy surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Combined Optical and Radio–Frequency Perspectives on the Time Evolution of Lightning Measured by the FORTE Satellite

We use a cluster feature data set for the Fast On-orbit Recording of Transient Events (FORTE) satellite that combines detections from its pixelated Lightning Locating System (LLS), photodiode detector (PDD) and Radio-Frequency (RF) instrumentation to generate statistics describing the frequency and timing of lightning events detected by each instrument during lightning flashes. Coincident observations from the same vantage point allow us to directly compare flash details that can be resolved by the wide Field of View (FOV) instruments relative to the pixelated LLS—whose design is based on NASA's Lightning Imaging Sensor. We find that both the PDD and RF system typically generate more detections than the lightning imager (mean: 1.5 PDD events per LLS group, 2 RF events per LLS group) from pulses that are either not sufficiently bright in the optical band (in the case of RF) or that lack the optical energy density (in the case of the PDD) required to trigger one of the pixels on the LLS imaging array. This includes additional activity before the first LLS group or after the final LLS group. These FORTE results demonstrate that certain lightning processes would be better resolved by wide-FOV optical and RF instruments than lightning imagers. Current/future space-based missions that use/plan to use similar instruments will improve our understanding of flash evolution by resolving details missed by lightning imagers.

47 OTHER INSTRUMENTATION↗