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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

The information content of stellar halos: stellar population gradients and accretion histories in early-type illustris galaxies

Long dynamical timescales in the outskirts of galaxies preserve the information content of their accretion histories, for example in the form of stellar population gradients. We present a detailed analysis of the stellar halo properties of a statistically representative sample of early-type galaxies from the Illustris simulation, and show that stellar population gradients at large radii can indeed be used to infer basic properties of galactic accretion histories. We measure metallicity, age, and surface-brightness profiles in quiescent Illustris galaxies ranging from M{sub ⋆} = 10{sup 10}–2 × 10{sup 12} M{sub ⊙} and show that they are in reasonable agreement with observations. At fixed mass, galaxies that accreted little of their stellar halo material tend to have steeper metallicity and surface-brightness profiles, between 2–4 effective radii (R{sub e}), than those with larger accreted fractions. Profiles of metallicity and surface-brightness in the stellar halo typically flatten from z = 1 to the present. This suggests that the accretion of stars into the stellar halo tends to flatten metallicity and surface-brightness profiles, a picture which is supported by the tight correlation between the two gradients in the stellar halo. We find no statistical evidence of additional information content related to accretion histories in stellar halo metallicity profiles, beyond what is contained in surface-brightness profiles. Age gradients in the stellar halo do not appear to be sensitive to galactic accretion histories, and none of the stellar population gradients studied are strongly correlated with the mean merger mass-ratio. Our findings relate specifically to regions of the stellar halo within 4 R{sub e}, but suggest that future observations that reach large radii outside galaxies (including to 10 R{sub e} and beyond) will have the best potential to constrain galactic accretion histories.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

The need for multicomponent dust attenuation in modeling nebular emission: Constraints from SDSS-IV MaNGA

A fundamental assumption adopted in nearly every extragalactic study that analyzes optical emission lines is that the attenuation of different emission lines can be described by a single attenuation curve, scaled by a single reddening parameter, usually E(B - V). Here we show this assumption fails in many cases with important implications for derived results. We developed a new method to measure the differential nebular attenuation among three kinds of transitions: the Balmer lines of hydrogen; high-ionization transitions (> 13.6 eV) including [Ne III], [O III], and [S III]; and low-ionization transitions (≲13.6 eV) including [O II], [N II], and [S II]. This method bins the observed data in a multidimensional space spanned by attenuation-insensitive line ratios. Within each small bin, the variations in nebular parameters such as the metallicity and ionization parameter are negligible compared to the variation in the nebular attenuation. This allowed us to measure the nebular attenuation using both forbidden lines and Balmer lines. We applied this method to a sample of 2.4 million star-forming (SF) spaxels from the Mapping Nearby Galaxies at Apache Point Observatory (MaNGA) survey. We found that the attenuation of high ionization lines and Balmer lines can be well described by a single Fitzpatrick (1999, PASP, 111, 63) extinction curve with R V = 3.1. However, no single attenuation curve can simultaneously account for these transitions and the derived attenuation of low-ionization lines. This strongly suggests that different lines have different effective attenuations, likely because spectroscopy at hundreds of parsecs to kiloparsecs of resolution mixes multiple physical regions that exhibit different intrinsic line ratios and different levels of attenuation. As a result, the assumption that different lines follow the same attenuation curve breaks down. Using a single attenuation curve determined by Balmer lines to correct attenuation-sensitive forbidden line ratios could bias the nebular parameters derived by 0.06–0.25 dex at A V = 1, depending on the details of the dust attenuation model. Observations of a statistically large sample of H II regions with high spatial resolutions and large spectral coverage are vital for improved modeling and deriving accurate corrections for this effect.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Field-level reconstruction from foreground-contaminated 21-cm maps

Current and upcoming 21-cm experiments will soon be able to map 21-cm spatial fluctuations in three dimensions for a wide range of redshifts. However, bright foreground contamination and the nature of radio interferometry create significant challenges, making it difficult to access rich cosmological information from the Fourier modes that lie within the “foreground wedge”. Here, in this work, we introduce two approaches aiming to reconstruct the full 21-cm density field, including the missing modes in the wedge: (a) a field-level inference under an effective field theory (EFT) framework; (b) a diffusion-based deep generative model trained on simulations. Under the EFT framework, we implement a fully differentiable forward model that maps the initial conditions of matter fluctuations to the observed, foreground-filtered 21-cm maps. This enables a gradient-based sampler to simultaneously sample the initial conditions and bias parameters, allowing a physically motivated mode reconstruction. Alternatively, we apply a variational diffusion model to perform 21-cm density reconstruction at the map level. Our model is trained on semi-numerical simulations over a wide range of astrophysical parameters. Our results from both approaches should provide improved cosmological constraints from the field level and also enable cross-correlation between experiments that have little or no overlapping modes.

cosmological perturbation theory↗
DOE OSTI2018

Structural Studies of Amorphous Materials by Fluctuation Electron Microscopy

Fluctuation Electron Microscopy (FEM) is a technique that examines the fluctuations in electron scattering across a uniformly thin amorphous sample. The statistics of the intensity fluctuations, mean and variance, reveal any underlying medium-range order present in the structure. The goals of this project were: (1) To determine the fundamentals of the scattering physics that gives rise to the variance signal in fluctuation electron microscopy (FEM); (2) To use these discoveries to find ways to quantify FEM; (3) To apply the FEM method to interesting and technologically important families of amorphous materials, particularly those with important applications in energy-related processes. Excellent progress was made in items (1) and (2). In stage (3) we did not examine the metamict zircons, as proposed. Instead, we examined films of polycrystalline and amorphous semi-conducting diamond. Significant accomplishments are: (1) A Reverse Monte Carlo procedure was successfully implemented to invert FEM data into a structural model. This is computer-intensive, but it demonstrated that diffraction and FEM data from amorphous silicon are most consistent with a paracrystallite model. This means that there is more diamond-like topology present in amorphous silicon than is predicted by the continuous random network model. (2) There is significant displacement decoherence arising in diffraction from amorphous silicon and carbon. The samples are being bombarded by the electron beam and atoms do not stay still while being irradiated – much more than was formerly understood. The atom motions cause the destructive and constructive interferences in the diffraction pattern to fluctuate with time, and it is the time-averaged speckle that is being measured. The variance is reduced by a factor m, 4 ≤ m ≤ 1000, relative to that predicted by kinematical scattering theory. (3) Speckle intensity obeys a gamma distribution, where the mean intensity $ \overline{I}\ $ and m are the two parameters governing the shape of the gamma distribution profile. m is determined by the illumination spatial coherence, which is normally very high, and mostly by the displacement decoherence within the sample. (4) Amorphous materials are more affected by the electron beam than are crystalline materials. Different samples exhibit different disruptibility, as measured by the effective values of m that fit the data. (5) Understanding the origin of the displacement decoherence better should lead to efficient methods for computing the observed variance from amorphous materials.

36 MATERIALS SCIENCE↗
NASA NTRS1985

A statistical analysis of the Einstein normal galaxy sample. I - Spiral and irregular galaxies

The results of a statistical analysis of 48 spiral and irregular galaxies observed with the Einstein Observatory are reported. It is found that the X-ray luminosity is not directly correlated with the mass of the galaxies, but is strongly correlated with the blue luminosity. This suggests that most X-ray sources, including low-mass binaries, are binary systems belonging to both old disk and young arm Population I components. A real bulge population of X-ray sources exists that can contribute significantly to the X-ray luminosity of early-type spirals. The X-ray emission from a sample of 29 relatively isolated, normal elliptical and S0 galaxies is also studied, and the results are compared to those for the above sample to investigate the origin of the X-ray emission in early-type galaxies and the possible emission mechanisms. The influence of a powerful radio source and the onset of nuclear activity are also examined.

Fabbiano, G.↗
DOE OSTI2023

Field‐Induced Ferroelectric Phase Evolution During Polarization “Wake‐Up” in Hf 0.5 Zr 0.5 O 2 Thin Film Capacitors

Abstract As an emerging nonvolatile memory technology, HfO 2 ‐based ferroelectrics exhibit excellent compatibility with silicon CMOS process flows; however, the reliability of polarization switching in these materials remains a major challenge. During repeated field programming and erase of the polarization state of initially pristine HfO 2 ‐based ferroelectric capacitors, the magnitude of the measured polarization increases, a phenomenon known as “wake‐up”. In this study, the authors attempt to understand what causes the wake‐up effect in Hf 0.5 Zr 0.5 O 2 (HZO) capacitors using nondestructive methods that probe statistically significant sample volumes. Synchrotron X‐ray diffraction reveals a concerted shift in HZO Bragg peak position as a function of polarization switching cycle number in films prepared under conditions such that they exhibit extremely large (≈3000%) wake‐up. In contrast, a control sample with insignificant wake‐up shows no such peak shift. Capacitance – voltage measurements show evolution in the capacitance loop with switching cycle number for the wake‐up sample and no change for the control sample. Piezoresponse force microscopy measurements are utilized to visualize the domain switching with wake‐up. The combination of these observations clearly demonstrates that wake‐up is caused by a field‐driven phase transformation of the tetragonal phase to the metastable ferroelectric orthorhombic phase during polarization switching of HZO capacitors.

36 MATERIALS SCIENCE↗
DOE OSTI2016

GPU Acceleration of the Locally Selfconsistent Multiple Scattering Code for First Principles Calculation of the Ground State and Statistical Physics of Materials

The Locally Self-consistent Multiple Scattering (LSMS) code solves the first principles Density Functional theory Kohn-Sham equation for a wide range of materials with a special focus on metals, alloys and metallic nano-structures. It has traditionally exhibited near perfect scalability on massively parallel high performance computer architectures. We present our efforts to exploit GPUs to accelerate the LSMS code to enable first principles calculations of O(100,000) atoms and statistical physics sampling of finite temperature properties. Using the Cray XK7 system Titan at the Oak Ridge Leadership Computing Facility we achieve a sustained performance of 14.5PFlop/s and a speedup of 8.6 compared to the CPU only code.

Eisenbach, Markus↗
DOE OSTI2026

Strangeness enhancement at its extremes: multiple (multi-)strange hadron production in pp collisions at \(\sqrt{s}=5.02\) TeV

The probability to observe a specific number of strange and multi-strange hadrons (nS), denoted as P(nS), is measured by ALICE at midrapidity (|y| < 0.5) in $$\sqrt{s}=5.02$$ TeV proton-proton (pp) collisions, dividing events into several multiplicity-density classes. Exploiting, for the first time, a technique based on counting the number of strange-particle candidates event-by-event, this measurement allows one to extend the study of strangeness production beyond the mean of the distribution. This constitutes a new test bench for production mechanisms, probing events with a large imbalance between strange and non-strange content. The analysis of a large-statistics data sample makes it possible to extract P(nS) up to a maximum nS of 7 for $${\text{K}}_{\text{S}}^{0}$$, 5 for Λ and $$\overline{\Lambda }$$, 4 for Ξ− and $${\overline{\Xi } }^{+}$$, and 2 for Ω− and $${\overline{\Omega } }^{+}$$. From this, the probability of producing strange hadron multiplets per event is calculated, thereby enabling the extension of the study of strangeness enhancement to extreme situations where several strange quarks hadronize in a single event at midrapidity. Moreover, comparing hadron combinations with different u and d quark compositions and equal overall s quark content, the contribution to the enhancement pattern coming from non-strangeness related mechanisms is isolated. The results are compared with state-of-the-art phenomenological models implemented in commonly used Monte Carlo event generators, including PYTHIA 8 Monash 2013, PYTHIA 8 with QCD-based Color Reconnection and Rope Hadronization (QCD-CR + Ropes), and EPOS LHC, which incorporates both partonic interactions and hydrodynamic evolution. These comparisons show that the new approach dramatically enhances the sensitivity to the different underlying physics mechanisms modeled by each generator.

Abualrob, I J↗
DOE OSTI2025

The Surface-Topography Challenge: A Multi-Laboratory Benchmark Study to Advance the Characterization of Topography

Surface performance is critically influenced by topography in virtually all real-world applications. The current standard practice is to describe topography using one of a few industry-standard parameters. The most commonly reported number is Ra, the average absolute deviation of the height from the mean line (at some, not necessarily known or specified, lateral length scale). However, other parameters, particularly those that are scale-dependent, influence surface and interfacial properties; for example the local surface slope is critical for visual appearance, friction, and wear. The present Surface-Topography Challenge was launched to raise awareness for the need of a multi-scale description, but also to assess the reliability of different metrology techniques. In the resulting international collaborative effort, 153 scientists and engineers from 64 research groups and companies across 20 countries characterized statistically equivalent samples from two different surfaces: a “rough” and a “smooth” surface. The results of the 2088 measurements constitute the most comprehensive surface description ever compiled. We find wide disagreement across measurements and techniques when the lateral scale of the measurement is ignored. Consensus is established through scale-dependent parameters while removing data that violates an established resolution criterion and deviates from the majority measurements at each length scale. Our findings suggest best practices for characterizing and specifying topography. The public release of the accumulated data and presented analyses enables global reuse for further scientific investigation and benchmarking.

42 ENGINEERING↗
DOE OSTI2016

GPU acceleration of the Locally Selfconsistent Multiple Scattering code for first principles calculation of the ground state and statistical physics of materials

The Locally Self-consistent Multiple Scattering (LSMS) code solves the first principles Density Functional theory Kohn–Sham equation for a wide range of materials with a special focus on metals, alloys and metallic nano-structures. It has traditionally exhibited near perfect scalability on massively parallel high performance computer architectures. In this paper, we present our efforts to exploit GPUs to accelerate the LSMS code to enable first principles calculations of O(100,000) atoms and statistical physics sampling of finite temperature properties. We reimplement the scattering matrix calculation for GPUs with a block matrix inversion algorithm that only uses accelerator memory. Finally, using the Cray XK7 system Titan at the Oak Ridge Leadership Computing Facility we achieve a sustained performance of 14.5PFlop/s and a speedup of 8.6 compared to the CPU only code.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The F-t-Pj-RG method: An adjacent-rolling-windows based steady-state detection technique for application to kinetic Monte Carlo simulations

A window-based steady-state detection algorithm has been developed for application to kinetic Monte Carlo simulation data. The algorithm, termed F-t-Pj-RG sequentially applies an F-test, a t-test, and a projection test on adjacent windows of the data while rolling (or shifting) and growing the windows when any of the tests fail. In aggregate, the algorithm is able to (a) automatically reject the warm-up period as not being at steady-state, as well as (b) determine an appropriate window size for converged statistics when sampling the data, which is necessary for detection of steady-state, and (c) detect steady-state within a particular tolerance. The last step, the projection test, is actually an oscillating-slope projection test, and is performed on j sequential data windows (i.e., more than two adjacent windows). It requires more than simply being within the user defined tolerance: the oscillating-slope projection test includes a condition that the slope must oscillate around zero when 2, which is an additional indication of steady-state. When all three tests are passed, the F-t-Pj test is passed, indicating that the prerequisites of steady-state detection have been met and also that conditions consistent with the definition of steady-state have been realized. This algorithm is applied to a variety of data sets that correspond to the diverse type of data trends that can be produced by kinetic Monte Carlo simulations. The algorithm is shown to be robust in its ability to handle differing functional forms, and is able to detect steady-state with low computational cost. Finally, the low computational cost of this method and its robustness towards varied data trends make it suitable for on-the-fly use in kinetic Monte Carlo simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Analysis of time-dependent strain heterogeneity in shales using X-ray microscopy and digital volume correlation

In this paper, we report the results of a 4-dimensional (3 spatial dimensions plus time) in-situ creep experiment on a milli-core shale plug from Barnett formation in Texas. An outstanding challenge in shale mechanics is connecting observable characteristics to predictable mechanical and hydraulic behavior. We employ novel imaging and analysis techniques to statistically link sample mineralogy and structure to observed deformation. In particular, we focus on mechanisms of porosity reduction during transient response to step changes in stress, analogous to the aseismic deformation that occurs after an episode of fracturing. Our main goal in this study is to take the first steps to visualize and capture the small-scale deformation mechanisms involved in creep of shales, using imaging techniques. To do so, we conducted a uniaxial creep experiment inside an Xradia Versa 520 micro-CT system for 12 h at room temperature under a constant uniaxial stress of 25 MPa. We employed a Digital Volume Correlation (DVC) method to measure micro-scale deforspmation of the sample by comparing the resulting volumetric images with a high-resolution scan of the sample obtained prior to the creep experiment. The results indicate that the time-dependent deformation in the compliant clay plus kerogen matrix constituents facilitates rigid grain rotation and compaction of intergranular porosity at the boundary between rigid grains and matrix.

58 GEOSCIENCES↗
DOE OSTI2026

Probing late-stage hadronic interactions at high baryon density via $K^{⁎0}$ production in the RHIC beam energy scan program

A precision measurement of the $K^{⁎0}$ meson yield is reported in Au+Au collisions at $\sqrt{s_{NN}}$ = 7.7, 11.5, 14.6, 19.6, and 27 GeV using the high-statistics data sample collected by the STAR experiment during the Beam Energy Scan II (BES-II) program at RHIC. The transeverse momentum (p T )-integrated yield ratios $\large{(}K^{⁎0} + \overline{K^{⁎0}}\large{)}/(K^+ + K^{-})$ in central collisions show a suppression relative to peripheral collisions at the (1.7–3.6) σ level, while a thermal model without final-stage rescattering overpredicts this ratio with a deviation of (6.9–8.2) σ. These results indicate a loss of the measured $K^{⁎0}$ signal in central collisions due to re-scattering of its hadronic decay products in the hadronic phase. The p T -integrated yield of charged kaons exhibits an approximate scaling with charged-particle multiplicity, independent of collision energy and system size. A similar trend is observed for the short-lived $K^{⁎0}$ resonance, although significant deviations emerge at lower energies. At BES energies, the $K^{⁎0}/K$ ratio shows stronger suppression than at the highest RHIC and LHC energies within a given multiplicity bin, particularly in central and mid-central collisions. This behavior is consistent with changes in the effective hadronic interaction cross section and is supported by transport model calculations, which indicate dominant meson–baryon interactions at lower energies and meson–meson interactions at higher energies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Water freezing and ice melting

The generalized replica exchange method (gREM) is designed to sample states with coexisting phases and thereby to describe strong first order phase transitions. The isobaric MD version of the gREM is presented and applied to freezing of liquid water, and melting of hexagonal and cubic ice. It is confirmed that coexisting states are well sampled. The statistical temperature as a function of enthalpy, T S (H), is obtained. Hysteresis between freezing and melting is observed and discussed. The entropic analysis of phase transitions is applied and equilibrium transition temperatures, latent heats, and surface tensions are obtained for hexagonal ice↔liquid and cubic ice↔liquid, with excellent agreement with published values. A new method is given to assign water molecules among various symmetry types. As a result, pathways for water freezing, ultimately leading to hexagonal ice, are found to contain intermediate layered structures built from hexagonal and cubic ice.

36 MATERIALS SCIENCE↗
DOE OSTI2025

How are Heterogeneous Nucleation Rate Observations Influenced by Instrument Resolution?

Experimental measurements of the heterogeneous nucleation rate rely on counting the number of nuclei with time. However, the size of a thermodynamically stable nucleus is often a few nanometers in diameter and is below the resolution of most (in situ) measurement techniques that provide a statistically valid sample. Due to the finite resolution of the instruments and analysis methods, it is challenging to capture the incipient nuclei and the subsequent evolution of nuclei density over time. In this work, we demonstrate the impact of instrument resolution on observed nuclei densities by comparing numerical modeling with experimental results. Further, to achieve this, we implemented heterogeneous nucleation within the pore-scale reactive transport modeling framework using classical nucleation theory (CNT). We compared the modeling results with nucleation rates measured using X-ray nanotomography (XnT) and evaluated how these impact the apparent values of the prefactor and interfacial energy based on CNT and the crystal growth rate. Specifically, we applied a resolution threshold (artificial resolution limit) in the model during nuclei counting to resemble an experimental resolution, ranging from 15 to 500 nm. The findings reveal that the instrument resolution significantly impacts the apparent prefactor and interfacial energy. Both apparent prefactor and interfacial energy decrease with a decrease in the instrument resolution. While deviation in the prefactor due to resolution is anticipated, those in the interfacial energy are unexpected. The approach described here allows one to correct apparent nucleation rates that depend on the instrument’s resolution to derive “intrinsic” CNT parameters for the prefactor and interfacial energy.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Hidden depths in the local Universe: The Stellar Stream Legacy Survey

Context. Mergers and tidal interactions between massive galaxies and their dwarf satellites are a fundamental prediction of the Lambda-cold dark matter cosmology. These events are thought to provide important observational diagnostics of non-linear structure formation. Stellar streams in the Milky Way and Andromeda are spectacular evidence for ongoing satellite disruption. However, constructing a statistically meaningful sample of tidal streams beyond the Local Group has proven a daunting observational challenge, and the full potential for deepening our understanding of galaxy assembly using stellar streams has yet to be realised. Aims. Here we introduce the Stellar Stream Legacy Survey, a systematic imaging survey of tidal features associated with dwarf galaxy accretion around a sample of ~3100 nearby galaxies within z~0.02, including about 940 Milky Way analogues. Methods. Our survey exploits public deep imaging data from the DESI Legacy Imaging Surveys, which reach surface brightness as faint as ~29 mag arcsec –2 in the r band. As a proof of concept of our survey, we report the detection and broad-band photometry of 24 new stellar streams in the local Universe. Results. We discuss how these observations can yield new constraints on galaxy formation theory through comparison to mock observations from cosmological galaxy simulations. These tests will probe the present-day mass assembly rate of galaxies, the stellar populations and orbits of satellites, the growth of stellar halos, and the resilience of stellar disks to satellite bombardment.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Discovery of four doubly imaged quasar lenses from the Sloan digital sky survey

We report the discovery of four doubly imaged quasar lenses. All the four systems are selected as lensed quasar candidates from the Sloan Digital Sky Survey data. We confirm their lensing hypothesis with additional imaging and spectroscopic follow-up observations. The discovered lenses are SDSS J0743+2457 with the source redshift z{sub s} = 2.165, the lens redshift z{sub l} = 0.381, and the image separation θ = 1.''034, SDSS J1128+2402 with z{sub s} = 1.608 and θ = 0.''844, SDSS J1405+0959 with z{sub s} = 1.810, z{sub l} ≈ 0.66, and θ = 1.''978, and SDSS J1515+1511 with z{sub s} = 2.054, z{sub l} = 0.742, and θ = 1.''989. It is difficult to estimate the lens redshift of SDSS J1128+2402 from the current data. Two of the four systems (SDSS J1405+0959 and SDSS J1515+1511) are included in our final statistical lens sample to derive constraints on dark energy and the evolution of massive galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗