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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 145 records · Page 8

Bulk Diffusion of Cl through O Vacancies in α-Cr 2 O 3 : A Density Functional Theory Study

Many metals form passive oxides which are broken or weakened by anionic-induced degradation leading to material failure and anionic diffusion is an important step of this degradation process. The diffusion of anionic species through oxides involves a combination of diffusion along grain boundaries, cracks, and channels, as well as bulk diffusion via point defects which is the focus of this study. Using density functional theory, we study bulk diffusion of Cl through O vacancies in α -Cr 2 O 3 as a model system for passive metal oxides. Little is known about Cl diffusion and bonding characteristics, so we benchmark our work through comparison to numerous studies on O diffusion in α -Cr 2 O 3 to analyze similarities and differences between the O and Cl diffusion in the passivation and degradation process of α -Cr 2 O 3 respectively. Unlike O diffusion, the lowest diffusion barrier for Cl is cross-plane diffusion between two (0001) planes through a vacant cation site but the much shorter in-plane diffusion path within the same coordination polyhedron has 35% higher barrier. This work provides the basis for considering the contributions of Cl bulk-diffusion in the overall diffusion kinetics of Cl through α -Cr 2 O 3 .

Oware Sarfo, Kofi↗

Integrated System and Application Continuous Performance Monitoring and Analysis Capability

Scientific applications run on high-performance computing (HPC) systems are critical for many national security missions within Sandia and the NNSA complex. However, these applications often face performance degradation and even failures that are challenging to diagnose. To provide unprecedented insight into these issues, the HPC Development, HPC Systems, Computational Science, and Plasma Theory & Simulation departments at Sandia crafted and completed their FY21 ASC Level 2 milestone entitled "Integrated System and Application Continuous Performance Monitoring and Analysis Capability." The milestone created a novel integrated HPC system and application monitoring and analysis capability by extending Sandia's Kokkos application portability framework, Lightweight Distributed Metric Service (LDMS) monitoring tool, and scalable storage, analysis, and visualization pipeline. The extensions to Kokkos and LDMS enable collection and storage of application data during run time, as it is generated, with negligible overhead. This data is combined with HPC system data within the extended analysis pipeline to present relevant visualizations of derived system and application metrics that can be viewed at run time or post run. This new capability was evaluated using several week-long, 290-node runs of Sandia's ElectroMagnetic Plasma In Realistic Environments ( EMPIRE ) modeling and design tool and resulted in 1TB of application data and 50TB of system data. EMPIRE developers remarked this capability was incredibly helpful for quickly assessing application health and performance alongside system state. In short, this milestone work built the foundation for expansive HPC system and application data collection, storage, analysis, visualization, and feedback framework that will increase total scientific output of Sandia's HPC users.

97 MATHEMATICS AND COMPUTING↗

Prospects of hydrogen cogeneration and carbon dioxide utilization in electrochemical refineries for ethylene production via oxidative coupling of methane: A techno-economic assessment

Ethylene is recognized as one of the most significant chemicals globally. The projected ethylene production for 2023 stands at 227.6 million tonnes, with expectations of continued demand growth. The primary use of ethylene, accounting for over 76%, lies in the production of plastics such as polyethylene, polyvinyl chloride, and polystyrene. Despite the enduring carbon retention potential of plastics themselves, traditional ethylene feedstock production from fossil resources contributes substantially to greenhouse gas emissions, ranging from 0.29 to 2.29 kg CO2 /kg Ethylene depending on various factors like feedstock and process design. Various decarbonization strategies, including the utilization of hydrogen as a primary heat source, have been proposed to reduce the carbon footprint of ethylene production, but their efficacy remains limited, offering at best a 0–30% reduction in on-site CO 2 emissions.

09 BIOMASS FUELS↗

The Outburst of the Young Star Gaia19bey

We report photometry and spectroscopy of the outburst of the young stellar object Gaia19bey. We have established the outburst light curve with archival Gaia “G,” ATLAS “Orange,” Zwicky Transient Facility r-band, and Pan-STARRS “rizy”-filter photometry, showing an outburst of ~4 yr duration, longer than typical EX Lupi objects but shorter than FU Orionis objects. Its pre-outburst spectral energy distribution shows a flat far-infrared spectrum, confirming the early evolutionary state of Gaia19bey and its similarity to other deeply embedded young stars experiencing outbursts. A lower limit to the peak outburst luminosity is ~182 L{sub ⊙} at an assumed distance of 1.4 kpc, the minimum plausible distance. Infrared and optical spectroscopy near maximum light show an emission line spectrum, including H i lines, strong red Ca ii emission, other metal emission lines, infrared CO bandhead emission, and a strong infrared continuum. Toward the end of the outburst, the emission lines have all but disappeared and the spectrum has changed into an almost pure continuum spectrum. This indicates a cessation of magnetospheric accretion activity. The near-infrared colors have become redder as Gaia19bey has faded, indicating a cooling of the continuum component. Near the end of the outburst, the only remaining strong emission lines are forbidden shock-excited emission lines. Adaptive optics integral-field spectroscopy shows the H{sub 2} 1–0 S(1) emission with the morphology of an outflow cavity and the extended emission in the [Fe ii] line at 1644 nm with the morphology of an edge-on disk. However, we do not detect any large-scale jet from Gaia19bey.

79 ASTRONOMY AND ASTROPHYSICS↗

A Constraint on Primordial B-modes from the First Flight of the Spider Balloon-borne Telescope

We present the first linear polarization measurements from the 2015 long-duration balloon flight of Spider, which is an experiment that is designed to map the polarization of the cosmic microwave background (CMB) on degree angular scales. The results from these measurements include maps and angular power spectra from observations of 4.8% of the sky at 95 and 150 GHz, along with the results of internal consistency tests on these data. While the polarized CMB anisotropy from primordial density perturbations is the dominant signal in this region of sky, Galactic dust emission is also detected with high significance. Galactic synchrotron emission is found to be negligible in the Spider bands. We employ two independent foreground-removal techniques to explore the sensitivity of the cosmological result to the assumptions made by each. The primary method uses a dust template derived from Planck data to subtract the Galactic dust signal. A second approach, which constitutes a joint analysis of Spider and Planck data in the harmonic domain, assumes a modified-blackbody model for the spectral energy distribution of the dust with no constraint on its spatial morphology. Using a likelihood that jointly samples the template amplitude and r parameter space, we derive 95% upper limits on the primordial tensor-to-scalar ratio from Feldman–Cousins and Bayesian constructions, finding r < 0.11 and r < 0.19, respectively. Roughly half the uncertainty in r derives from noise associated with the template subtraction. New data at 280 GHz from Spider's second flight will complement the Planck polarization maps, providing powerful measurements of the polarized Galactic dust emission.

79 ASTRONOMY AND ASTROPHYSICS↗

The XFaster Power Spectrum and Likelihood Estimator for the Analysis of Cosmic Microwave Background Maps

We present the XFaster analysis package, XFaster is a fast, iterative angular power spectrum estimator based on a diagonal approximation to the quadratic Fisher matrix estimator. XFaster uses Monte Carlo simulations to compute noise biases and filter transfer functions and is thus a hybrid of both Monte Carlo and quadratic estimator methods. In contrast to conventional pseudo-C ℓ based methods, the algorithm described here requires a minimal number of simulations, and does not require them to be precisely representative of the data to estimate accurate covariance matrices for the bandpowers. The formalism works with polarization-sensitive observations and also data sets with identical, partially overlapping, or independent survey regions. The method was first implemented for the analysis of BOOMERanG data (Netterfield et al. 2002; Jones et al. 2006), and also used as part of the Planck analysis (Rocha et al. 2011). Here, we describe the full, publicly available analysis package, written in Python, as developed for the analysis of data from the 2015 flight of the SPIDER instrument (SPIDER Collaboration 2021). The package includes extensions for self-consistently estimating null spectra and for estimating fits for Galactic foreground contributions. We show results from the extensive validation of XFaster using simulations, and its application to the SPIDER data set.

79 ASTRONOMY AND ASTROPHYSICS↗

The Gravity Collective: A Search for the Electromagnetic Counterpart to the Neutron Star–Black Hole Merger GW190814

We present optical follow-up imaging obtained with the Katzman Automatic Imaging Telescope, Las Cumbres Observatory Global Telescope Network, Nickel Telescope, Swope Telescope, and Thacher Telescope of the LIGO/Virgo gravitational wave (GW) signal from the neutron star–black hole (NSBH) merger GW190814. We searched the GW190814 localization region (19 deg 2 for the 90th percentile best localization), covering a total of 51 deg 2 and 94.6% of the two-dimensional localization region. Analyzing the properties of 189 transients that we consider as candidate counterparts to the NSBH merger, including their localizations, discovery times from merger, optical spectra, likely host galaxy redshifts, and photometric evolution, we conclude that none of these objects are likely to be associated with GW190814. Based on this finding, we consider the likely optical properties of an electromagnetic counterpart to GW190814, including possible kilonovae and short gamma-ray burst afterglows. Using the joint limits from our follow-up imaging, we conclude that a counterpart with an r-band decline rate of 0.68 mag day -1 , similar to the kilonova AT 2017gfo, could peak at an absolute magnitude of at most -17.8 mag (50% confidence). Our data are not constraining for "red" kilonovae and rule out "blue" kilonovae with M > 0.5 M ⊙ (30% confidence). We strongly rule out all known types of short gamma-ray burst afterglows with viewing angles <17° assuming an initial jet opening angle of ~5$^°_∙$2 and explosion energies and circumburst densities similar to afterglows explored in the literature. Lastly, we explore the possibility that GW190814 merged in the disk of an active galactic nucleus, of which we find four in the localization region, but we do not find any candidate counterparts among these sources.

79 ASTRONOMY AND ASTROPHYSICS↗

A Simulation-based Method for Correcting Mode Coupling in CMB Angular Power Spectra

Modern cosmic microwave background (CMB) analysis pipelines regularly employ complex time-domain filters, beam models, masking, and other techniques during the production of sky maps and their corresponding angular power spectra. However, these processes can generate couplings between multipoles from the same spectrum and from different spectra, in addition to the typical power attenuation. Within the context of pseudo-C ℓ based, MASTER-style analyses, the net effect of the time-domain filtering is commonly approximated by a multiplicative transfer function, F ℓ , that can fail to capture mode mixing and is dependent on the spectrum of the signal. To address these shortcomings, we have developed a simulation-based spectral correction approach that constructs a two-dimensional transfer matrix, ${J}_{{\ell }{\ell }^{\prime} }$, which contains information about mode mixing in addition to mode attenuation. We demonstrate the application of this approach on data from the first flight of the Spider balloon-borne CMB experiment.

79 ASTRONOMY AND ASTROPHYSICS↗

Measuring Cosmological Parameters with Type Ia Supernovae in redMaGiC Galaxies

Abstract Current and future cosmological analyses with Type Ia supernovae (SNe Ia) face three critical challenges: (i) measuring the redshifts from the SNe or their host galaxies; (ii) classifying the SNe without spectra; and (iii) accounting for correlations between the properties of SNe Ia and their host galaxies. We present here a novel approach that addresses each of these challenges. In the context of the Dark Energy Survey (DES), we analyze an SN Ia sample with host galaxies in the redMaGiC galaxy catalog, a selection of luminous red galaxies. redMaGiC photo- z estimates are expected to be accurate to σ Δ z /(1+ z ) ∼ 0.02. The DES-5YR photometrically classified SN Ia sample contains approximately 1600 SNe, and 125 of these SNe are in redMaGiC galaxies. We demonstrate that redMaGiC galaxies almost exclusively host SNe Ia, reducing concerns relating to classification uncertainties. With this subsample, we find similar Hubble scatter (to within ∼0.01 mag) using photometric redshifts in place of spectroscopic redshifts. With detailed simulations, we show that the bias due to using redMaGiC photo- z s on the measurement of the dark energy equation of state w is up to Δ w ∼ 0.01–0.02. With real data, we measure a difference in w when using the redMaGiC photo- z s versus the spec- z s of Δ w = 0.005. Finally, we discuss how SNe in redMaGiC galaxies appear to comprise a more standardizable population, due to a weaker relation between color and luminosity ( β ) compared to the DES-3YR population by ∼5 σ . These results establish the feasibility of performing redMaGiC SN cosmology with photometric survey data in the absence of spectroscopic data.

79 ASTRONOMY AND ASTROPHYSICS↗

Flaring Stars in a Non-targeted mm-wave Survey with SPT-3G

We present a flare star catalog from four years of non-targeted millimeter-wave survey data from the South Pole Telescope (SPT). The data were taken with the SPT-3G camera and cover a 1500-square-degree region of the sky from $20^{h}40^{m}0^{s}$ to $3^{h}20^{m}0^{s}$ in right ascension and $-42^{\circ}$ to $-70^{\circ}$ in declination. This region was observed on a nearly daily cadence from 2019-2022 and chosen to avoid the plane of the galaxy. A short-duration transient search of this survey yields 111 flaring events from 66 stars, increasing the number of both flaring events and detected flare stars by an order of magnitude from the previous SPT-3G data release. We provide cross-matching to Gaia DR3, as well as matches to X-ray point sources found in the second ROSAT all-sky survey. We have detected flaring stars across the main sequence, from early-type A stars to M dwarfs, as well as a large population of evolved stars. These stars are mostly nearby, spanning 10 to 1000 parsecs in distance. Most of the flare spectral indices are constant or gently rising as a function of frequency at 95/150/220 GHz. The timescale of these events can range from minutes to hours, and the peak $\nu L_{\nu}$ luminosities range from $10^{27}$ to $10^{31}$ erg s$^{-1}$ in the SPT-3G frequency bands.

79 ASTRONOMY AND ASTROPHYSICS↗

The Dark Energy Survey Supernova Program: Cosmological Analysis and Systematic Uncertainties

We present the full Hubble diagram of photometrically classified Type Ia supernovae (SNe Ia) from the Dark Energy Survey supernova program (DES-SN). DES-SN discovered more than 20,000 SN candidates and obtained spectroscopic redshifts of 7000 host galaxies. Based on the light-curve quality, we select 1635 photometrically identified SNe Ia with spectroscopic redshift 0.10 < z < 1.13, which is the largest sample of supernovae from any single survey and increases the number of known z > 0.5 supernovae by a factor of 5. In a companion paper, we present cosmological results of the DES-SN sample combined with 194 spectroscopically classified SNe Ia at low redshift as an anchor for cosmological fits. Here we present extensive modeling of this combined sample and validate the entire analysis pipeline used to derive distances. We show that the statistical and systematic uncertainties on cosmological parameters are ${\sigma }_{{{\rm{\Omega }}}_{M},\mathrm{stat}+\mathrm{sys}}^{{\rm{\Lambda }}\mathrm{CDM}}=$ 0.017 in a flat ΛCDM model, and $({\sigma }_{{{\rm{\Omega }}}_{M}},{\sigma }_{w}{)}_{\mathrm{stat}+\mathrm{sys}}^{w\mathrm{CDM}}$ = (0.082, 0.152) in a flat wCDM model. Combining the DES SN data with the highly complementary cosmic microwave background measurements by Planck Collaboration reduces by a factor of 4 uncertainties on cosmological parameters. In all cases, statistical uncertainties dominate over systematics. We show that uncertainties due to photometric classification make up less than 10% of the total systematic uncertainty budget. This result sets the stage for the next generation of SN cosmology surveys such as the Vera C. Rubin Observatory's Legacy Survey of Space and Time.

79 ASTRONOMY AND ASTROPHYSICS↗

The Dark Energy Survey Supernova Program: Light Curves and 5 Yr Data Release

We present griz photometric light curves for the full 5 yr of the Dark Energy Survey Supernova (DES-SN) program, obtained with both forced point-spread function photometry on difference images (DiffImg) performed during survey operations, and scene modelling photometry (SMP) on search images processed after the survey. This release contains 31,636 DiffImg and 19,706 high-quality SMP light curves, the latter of which contain 1635 photometrically classified SNe that pass cosmology quality cuts. This sample spans the largest redshift (z) range ever covered by a single SN survey (0.1 < z < 1.13) and is the largest single sample from a single instrument of SNe ever used for cosmological constraints. We describe in detail the improvements made to obtain the final DES-SN photometry and provide a comparison to what was used in the 3 yr DES-SN spectroscopically confirmed Type Ia SN sample. We also include a comparative analysis of the performance of the SMP photometry with respect to the real-time DiffImg forced photometry and find that SMP photometry is more precise, more accurate, and less sensitive to the host-galaxy surface brightness anomaly. The public release of the light curves and ancillary data can be found at github.com/des-science/DES-SN5YR and doi:10.5281/zenodo.12720777.

79 ASTRONOMY AND ASTROPHYSICS↗

Analysis of Polarized Dust Emission Using Data from the First Flight of SPIDER

Using data from the first flight of Spider and from the Planck High Frequency Instrument, we probe the properties of polarized emission from interstellar dust in the Spider observing region. Component-separation algorithms operating in both the spatial and harmonic domains are applied to probe their consistency and to quantify modeling errors associated with their assumptions. Analyses of diffuse Galactic dust emission spanning the full Spider region demonstrate (i) a spectral energy distribution that is broadly consistent with a modified-blackbody (MBB) model with a spectral index of β d = 1.45 ± 0.05 (1.47 ± 0.06) for E (B)-mode polarization, slightly lower than that reported by Planck for the full sky; (ii) an angular power spectrum broadly consistent with a power law; and (iii) no significant detection of line-of-sight polarization decorrelation. Tests of several modeling uncertainties find only a modest impact (~10% in σ r ) on Spider's sensitivity to the cosmological tensor-to-scalar ratio. The size of the Spider region further allows for a statistically meaningful analysis of the variation in foreground properties within it. Assuming a fixed dust temperature T d = 19.6 K, an analysis of two independent subregions of that field results in inferred values of β d = 1.52 ± 0.06 and β d = 1.09 ± 0.09, which are inconsistent at the 3.9σ level. Furthermore, a joint analysis of Spider and Planck 217 and 353 GHz data within one subregion is inconsistent with a simple MBB at more than 3σ, assuming a common morphology of polarized dust emission over the full range of frequencies. This evidence of variation may inform the component-separation approaches of future cosmic microwave background polarization experiments.

79 ASTRONOMY AND ASTROPHYSICS↗

Dual and Multi-Spectral Band SLS Infrared Camera Systems

Based on the recent success of our strained-layer superlattice (SLS)-based infrared (IR) camera that performed Earth imaging from the International Space Station (ISS) in 2019 we have built, what we consider, to be the next generation multi-band SLS imaging system. The Compact Thermal Imager (CTI) was installed on the Robotic Refueling Mission 3 (RRM3) and attached to the exterior of the ISS. From this location we were able to capture 15 million images of a multitude of fires around the globe in 2019. This unexpected trove of data initiated quite a bit of scientific interest to further utilize this imaging capability but would include features to more precisely monitor terrestrial fires and other surface phenomena. To this end, we developed a technique to install specific bandpass filters directly onto the SLS detector hybrid assembly. Utilizing this technique we have built a CTI-2 camera system with two filters, 4 and 11µm, and have made a second detector assembly with six filter bands from 4-12µm. This second system will also be used to supplement Landsat remote imaging monitoring approximate land surface temperatures, monitor evapotranspiration, sea ice and glacier dynamics. The CTI-2 camera is based on a 1,024x1,024 (1kx1k) format SLS detector hybridized to a FLIR ISC0404 readout integrated circuit (ROIC). The six band SLS focal plane array is based on the 640x512 FLIR ISC 9803 ROIC. This camera system is based on the Landsat 8 and 9 Thermal IR Sensors (TIRS) instrument and one of its purposes is to perform ground truthing for the Landsat 8/9 data at higher spectral resolution. Both Landsat TIRS instruments are dual band thermal IR sensors centered on 11 and 12µm (each with about a 1µm bandpass). Both of our SLS systems utilize a Ricor K548 cryocooler. To streamline costs and development time we used commercial optics and both commercial and custom NASA electronic components. A primary feature of these camera systems is the incorporation of specific filters to collect fire data at ~3.9µm and thermal data at ~11µm. The CTI-2 instrument is designed for 37 m /pixel spatial resolution from 410km orbit (ISS orbit). In this paper, we will present the design and performance of the focal plane, optics, electronics and mechanical structure of the dual‑band CTI-2 and the focal plane performance of the six‑band focal plane.

Murzy Jhabvala↗