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At least 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Tutorial on Chemical Pressure Analysis: How Atomic Packing Drives Laves/Zintl Intergrowth in K3Au5Tl

The tight atomic packing generally exhibited by alloys and intermetallics can create the impression of their being composed of hard spheres arranged to maximize their density. As such, the atomic size factor has historically been central to explanations of the structural chemistry of these systems. However, the role atomic size plays structurally has traditionally been inferred from empirical considerations. The recently developed DFT-Chemical Pressure (CP) analysis has opened a path to investigating these effects with theory. In this article, we provide a step-by-step tutorial on the DFT-CP method for non-specialists, along with advances in the approach that broaden its applicability. A new version of the CP software package is introduced, which features an interactive system that guides the user in preparing the necessary electronic structure data and generating the CP scheme, with the results being readily visualized with a web browser (and easily incorporated into websites). For demonstration purposes, we investigate the origins of the crystal structure of K3Au5Tl, which represents an intergrowth of Laves and Zintl phase domains. Here, CP analysis reveals that the intergrowth is supported by complementary CP features of NaTl-type KTl and MgCu2-type KAu2 phases. In this way, K3Au5Tl exemplifies how CP effects can drive the merging for geometrical motifs derived from different families of intermetallics through a mechanism referred to as epitaxial stabilization.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A Framework for Effective Science Communication and Outreach Strategies and Dissemination of Research Findings for Marine Energy Projects

Marine energy is an emerging renewable energy industry with the potential to produce 2300 terawatt-hours per year from resources within the United States. As development and testing of marine energy devices advance, regulatory and permitting decision-makers are concerned about the uncertainty surrounding the potential environmental effects resulting from the introduction of these novel devices in coastal and riverine environments. The Triton Initiative researches and provides recommendations for environmental monitoring technologies and methods to inform industry stakeholders with the data necessary to permit the testing of marine energy systems. Effective dissemination of the research findings is essential for improving the accessibility of data to stakeholders who may use the results to inform policy decisions, yet few frameworks for conducting science communications for marine energy projects exist. In this paper, we present tools, channels, and tactics for developing a science communication framework for marine energy projects, or similar areas of study, using the Triton Initiative’s pilot science communication program as a case study. By leveraging existing bodies of work in disciplines such as communications theory, marketing, public relations, and social science, the presented framework includes audience identification and analysis; channel development, including a website, blog, newsletter, social media, and webinars and presentations; and metrics for determining success. Outcomes from one year of Triton’s case study are presented, including the most effective tactics and lessons learned.

communication framework↗
DOE OSTI2024

Linear Correlations of Gibbs Free Energy of REE Phosphates (Monazite, Xenotime, and Rhabdophane) and Internally Consistent Binary Mixing Properties

Rare Earth Elements (REE) phosphates (monazite, xenotime, and rhabdophane) are critical REE-bearing minerals typically formed in hydrothermal and magmatic ore deposits. The thermodynamic properties of those REE minerals are crucial to understanding the solubility, speciation, and transport of REE complexes. However, the standard-state Gibbs free energy of formation (∆G°f) values reported for these minerals in the literature vary by up to 25 kJ mol−1. Here, we present linear free energy relationships that allow the evaluation and estimation of the ∆G°f values at 25 °C and 1 bar for the three minerals from the ionic radius (rREE3+) and the non-solvation Gibbs free energy contribution to the REE3+ aqua ion (∆G°n, REE3+): ∆G°f,monazite − 399.71 rREE3+ = 1.0059 ∆G°n,REE3+ − 2522.51; ∆G°f,xenotime − 344.08 rREE3+ = 0.9909 ∆G°n,REE3+ − 2451.53; and ∆G°f,rhabdophane − 416.17 rREE3+ = 1.0067 ∆G°n, REE3+ − 2688.86. Moreover, based on the new dataset derived for REE end-members, we re-fitted the binary Margules parameter (W) from previous theoretical calculations into linear correlations: W + 0.00204 ∆G°’n,monazite = 39.3549 ∆V + 0.0641; W + 0.00255 ∆G°’n,xenotime = 25.4885 ∆V − 0.0062. The internally consistent thermodynamic properties of these REE phosphates are incorporated into the computer program Supcrtbl, which is available online at Zhu’s research website.

Pan, Ruiguang (ORCID:0000000324896545)↗
DOE OSTI2023

Cleaner Chips: Decarbonization in Semiconductor Manufacturing

The growth of the information and communication technology sector has vastly accelerated in recent decades because of advancements in digitalization and Artificial Intelligence (AI). Scope 1, 2, and 3 greenhouse gas emissions data of the top six semiconductor manufacturing companies (Samsung Electronics, Taiwan Semiconductor Manufacturing Corporation, Micron, SK Hynix, Kioxia, and Intel) were gathered from the publicly accessible Carbon Disclosure Project’s (CDP) website for 2020. Scope 3 emissions had the largest share in total annual emissions with an average share of 52%, followed by Scope 2 (32%) and Scope 1 (16%). Because of the absence of a standardized methodology for Scope 3 emissions estimation, each company used different methodologies that resulted in differences in emissions values. An analysis of the CDP reporting data did not reveal information on strategies implemented by companies to reduce Scope 3 emissions. The use of renewable energy certificates had the largest effect on decarbonization centered on reducing Scope 2 emissions, followed by the deployment of perfluorocarbon reduction technologies to help reduce Scope 1 fugitive emissions. Technology-specific marginal abatement costs of CO2 were also estimated and varied between −416 and 12,215 USD/t CO2 eq., which primarily varied depending on the technology deployed.

42 ENGINEERING↗
DOE OSTI2024

Sustainable Enablers of Knowledge Management Strategies in a Higher Education Institution

By facilitating the capture, organization, and dissemination of knowledge within and beyond the institution, knowledge management (KM) in higher education institutions (HEIs) fuels innovation, enhances research impact, and strengthens collaboration, ultimately leading to the creation of new knowledge and its valuable exchange. However, there is still much to explore in terms of the enablers of knowledge creation, sharing, and transfer. Therefore, this paper aims to identify the enablers of effective KM in the Polytechnique University of Leiria, which serves as a benchmark for other higher education institutions due to its leadership role in RUN-EU, a consortium of European universities. To achieve this, a narrative analysis based on information from SCOPUS and the institute’s website, focusing on innovation, research, and development strategies, is proposed. The findings suggest that for KM initiatives to be successful, they need to be strategically designed, culturally supported, technologically enabled, and integrated into existing workflows.

Santos, Eleonora (ORCID:0000000346930804)↗
DOE OSTI2024

The Evolution of Galaxies and Clusters at High Spatial Resolution with Advanced X-ray Imaging Satellite (AXIS)

Stellar and black hole feedback heat and disperse surrounding cold gas clouds, launching gas flows off circumnuclear and galactic disks, producing a dynamic interstellar medium. On large scales bordering the cosmic web, feedback drives enriched gas out of galaxies and groups, seeding the intergalactic medium with heavy elements. In this way, feedback shapes galaxy evolution by shutting down star formation and ultimately curtailing the growth of structure after the peak at redshift 2–3. To understand the complex interplay between gravity and feedback, we must resolve both the key physics within galaxies and map the impact of these processes over large scales, out into the cosmic web. The Advanced X-ray Imaging Satellite (AXIS) is a proposed X-ray probe mission for the 2030s with arcsecond spatial resolution, large effective area, and low background. AXIS will untangle the interactions of winds, radiation, jets, and supernovae with the surrounding interstellar medium across the wide range of mass scales and large volumes driving galaxy evolution and trace the establishment of feedback back to the main event at cosmic noon. This white paper is part of a series commissioned for the AXIS Probe mission concept; additional AXIS white papers can be found at the AXIS website.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

The Sixth Data Release of the Radial Velocity Experiment (Rave). II. Stellar Atmospheric Parameters, Chemical Abundances, and Distances

We present part 2 of the sixth and final Data Release (DR6) of the Radial Velocity Experiment (Rave), a magnitude-limited (9<I<12) spectroscopic survey of Galactic stars randomly selected in Earth’s southern hemisphere. The Rave medium-resolution spectra (R ∼ 7500) cover the Ca triplet region (8410–8795 Å) and span the complete time frame from the start of Rave observations on 2003 April 12 to their completion on 2013 April 4. In the second of two publications, we present the data products derived from 518,387 observations of 451,783 unique stars using a suite of advanced reduction pipelines focusing on stellar atmospheric parameters, in particular purely spectroscopically derived stellar atmospheric parameters (T{sub eff}, logg, and the overall metallicity), enhanced stellar atmospheric parameters inferred via a Bayesian pipeline using Gaia DR2 astrometric priors, and asteroseismically calibrated stellar atmospheric parameters for giant stars based on asteroseismic observations for 699 K2 stars. In addition, we provide abundances of the elements Fe, Al, and Ni, as well as an overall [α/Fe] ratio obtained using a new pipeline based on the GAUGUIN optimization method that is able to deal with variable signal-to-noise ratios. The Rave DR6 catalogs are cross-matched with relevant astrometric and photometric catalogs, and are complemented by orbital parameters and effective temperatures based on the infrared flux method. The data can be accessed via the Rave website (http://rave-survey.org) or the Vizier database.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

The Sixth Data Release of the Radial Velocity Experiment (RAVE). I. Survey Description, Spectra, and Radial Velocities

The Radial Velocity Experiment (Rave) is a magnitude-limited (9 < I < 12) spectroscopic survey of Galactic stars randomly selected in Earth’s southern hemisphere. The Rave medium-resolution spectra (R ~ 7500) cover the Ca-triplet region (8410–8795 Å). The sixth and final data release (DR6) is based on 518,387 observations of 451,783 unique stars. Rave observations were taken between 2003 April 12 and 2013 April 4. Here we present the genesis, setup, and data reduction of Rave as well as wavelength-calibrated and flux-normalized spectra and error spectra for all observations in Rave DR6. Furthermore, we present derived spectral classification and radial velocities for the Rave targets, complemented by cross-matches with Gaia DR2 and other relevant catalogs. A comparison between internal error estimates, variances derived from stars with more than one observing epoch, and a comparison with radial velocities of Gaia DR2 reveals consistently that 68% of the objects have a velocity accuracy better than 1.4 km s{sup –1}, while 95% of the objects have radial velocities better than 4.0 km s{sup –1}. Stellar atmospheric parameters, abundances and distances are presented in a subsequent publication. The data can be accessed via the Rave website (http://rave-survey.org) or the Vizier database.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Alert Classification for the ALeRCE Broker System: The Light Curve Classifier

We present the first version of the Automatic Learning for the Rapid Classification of Events (ALeRCE) broker light curve classifier. ALeRCE is currently processing the Zwicky Transient Facility (ZTF) alert stream, in preparation for the Vera C. Rubin Observatory. The ALeRCE light curve classifier uses variability features computed from the ZTF alert stream and colors obtained from AllWISE and ZTF photometry. We apply a balanced random forest algorithm with a two-level scheme where the top level classifies each source as periodic, stochastic, or transient, and the bottom level further resolves each of these hierarchical classes among 15 total classes. This classifier corresponds to the first attempt to classify multiple classes of stochastic variables (including core- and host-dominated active galactic nuclei, blazars, young stellar objects, and cataclysmic variables) in addition to different classes of periodic and transient sources, using real data. We created a labeled set using various public catalogs (such as the Catalina Surveys and Gaia DR2 variable stars catalogs, and the Million Quasars catalog), and we classify all objects with ≥6 g-band or ≥6 r-band detections in ZTF (868,371 sources as of 2020 June 9), providing updated classifications for sources with new alerts every day. For the top level we obtain macro-averaged precision and recall scores of 0.96 and 0.99, respectively, and for the bottom level we obtain macro-averaged precision and recall scores of 0.57 and 0.76, respectively. Updated classifications from the light curve classifier can be found at the ALeRCE Explorer website (http://alerce.online).

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Short GRB Host Galaxies. I. Photometric and Spectroscopic Catalogs, Host Associations, and Galactocentric Offsets

We present a comprehensive optical and near-infrared census of the fields of 90 short gamma-ray bursts (GRBs) discovered in 2005–2021, constituting all short GRBs for which host galaxy associations are feasible (≈60% of the total Swift short GRB population). We contribute 274 new multi-band imaging observations across 58 distinct GRBs and 26 spectra of their host galaxies. Supplemented by literature and archival survey data, the catalog contains 542 photometric and 42 spectroscopic data sets. The photometric catalog reaches 3σ depths of ≳24–27 mag and ≳23–26 mag for the optical and near-infrared bands, respectively. We identify host galaxies for 84 bursts, in which the most robust associations make up 56% (50/90) of events, while only a small fraction, 6.7%, have inconclusive host associations. Based on new spectroscopy, we determine 18 host spectroscopic redshifts with a range of z ≈ 0.15–1.5 and find that ≈23%–41% of Swift short GRBs originate from z > 1. We also present the galactocentric offset catalog for 84 short GRBs. Taking into account the large range of individual measurement uncertainties, we find a median of projected offset of ≈7.7 kpc, for which the bursts with the most robust associations have a smaller median of ≈4.8 kpc. Our catalog captures more high-redshift and low-luminosity hosts, and more highly offset bursts than previously found, thereby diversifying the population of known short GRB hosts and properties. In terms of locations and host luminosities, the populations of short GRBs with and without detectable extended emission are statistically indistinguishable. This suggests that they arise from the same progenitors, or from multiple progenitors, which form and evolve in similar environments. All of the data products are available on the Broadband Repository for Investigating Gamma-Ray Burst Host Traits website.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

CMB/kSZ and Compton-y Maps from 2500 deg 2 of SPT-SZ and Planck Survey Data

Abstract We present component-separated maps of the primary cosmic microwave background/kinematic Sunyaev–Zel’dovich (SZ) amplitude and the thermal SZ Compton- y parameter, created using data from the South Pole Telescope (SPT) and the Planck satellite. These maps, which cover the ∼2500 deg 2 of the southern sky imaged by the SPT-SZ survey, represent a significant improvement over previous such products available in this region by virtue of their higher angular resolution ( 1 .′ 25 for our highest-resolution Compton- y maps) and lower noise at small angular scales. In this work we detail the construction of these maps using linear combination techniques, including our method for limiting the correlation of our lowest-noise Compton- y map products with the cosmic infrared background. We perform a range of validation tests on these data products to test our sky modeling and combination algorithms, and we find good performance in all of these tests. Recognizing the potential utility of these data products for a wide range of astrophysical and cosmological analyses, including studies of the gas properties of galaxies, groups, and clusters, we make these products publicly available at http://pole.uchicago.edu/public/data/sptsz_ymap and on the NASA/LAMBDA website.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

The COS Legacy Archive Spectroscopy Survey (CLASSY) Treasury Atlas

Far-ultraviolet (FUV; ~1200–2000 Å) spectra are fundamental to our understanding of star-forming galaxies, providing a unique window on massive stellar populations, chemical evolution, feedback processes, and reionization. The launch of the James Webb Space Telescope will soon usher in a new era, pushing the UV spectroscopic frontier to higher redshifts than ever before; however, its success hinges on a comprehensive understanding of the massive star populations and gas conditions that power the observed UV spectral features. This requires a level of detail that is only possible with a combination of ample wavelength coverage, signal-to-noise, spectral-resolution, and sample diversity that has not yet been achieved by any FUV spectral database. We present the Cosmic Origins Spectrograph Legacy Spectroscopic Survey (CLASSY) treasury and its first high-level science product, the CLASSY atlas. CLASSY builds on the Hubble Space Telescope (HST) archive to construct the first high-quality (S/N 1500 Å ≳ 5/resel), high-resolution (R ~ 15,000) FUV spectral database of 45 nearby (0.002 < z < 0.182) star-forming galaxies. The CLASSY atlas, available to the public via the CLASSY website, is the result of optimally extracting and coadding 170 archival+new spectra from 312 orbits of HST observations. The CLASSY sample covers a broad range of properties including stellar mass (6.2 < log M * (M ⊙ ) < 10.1), star formation rate (–2.0 < log SFR (M ⊙ yr –1 ) < +1.6), direct gas-phase metallicity (7.0 < 12+log(O/H) < 8.8), ionization (0.5 < O 32 < 38.0), reddening (0.02 < E(B – V) < 0.67), and nebular density (10 < n e (cm –3 ) < 1120). CLASSY is biased to UV-bright star-forming galaxies, resulting in a sample that is consistent with the z ~ 0 mass–metallicity relationship, but is offset to higher star formation rates by roughly 2 dex, similar to z ≳ 2 galaxies. This unique set of properties makes the CLASSY atlas the benchmark training set for star-forming galaxies across cosmic time.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Quasar Properties from the Sloan Digital Sky Survey. III. The Quasars Obtained by the SDSS-IV

This paper provides the compilations of properties of the quasars newly obtained by the Sloan Digital Sky Survey (SDSS) during the fourth stage (SDSS-IV). The catalog is available on the journal's website. We have measured the main properties of emission lines around C $\tiny{IV}$ Mg $\tiny{II}$, Hβ, and Hα spectral regions. We estimate the quasar redshifts from our fits of narrow [O $\tiny{III}$], broad Mg $\tiny{II}$, and broad C $\tiny{IV}$ emission lines and find that the best redshifts included in DR16Q are robust with respect to our measurements. Based on the broad C $\tiny{IV}$, Mg $\tiny{II}$, Hβ, and/or Hα emission lines, we calculate the virial black hole mass with empirical relationships provided by previous works. Systematic biases are found among the different line-based mass estimators.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

MESA Isochrones and Stellar Tracks (MIST). III. The White Dwarf Cooling Sequence

We present a substantial update to the MESA Isochrones and Stellar Tracks (MIST) library, extending the MIST model grids and isochrones down the white dwarf (WD) cooling sequence with realistic physics for WD cooling timescales. This work provides a large grid of MESA models for carbon–oxygen core WDs with hydrogen atmospheres (spectral type DA/DC), descended from full prior stellar evolution calculations. The model tracks, isochrones, and WD cooling timescale contours are available on the MIST project website and at doi:10.5281/zenodo.15242047. Our WD models provide a very large, publicly available grid with detailed physics for WD cooling timescales: realistic interior and envelope compositions, with element diffusion and heavy-element sedimentation, nuclear burning at the base of the WD hydrogen envelope, core crystallization, and C/O phase separation. As a large grid of open-source stellar evolution models, these WD models provide both out-of-the-box model tracks for comparison with observations and a framework for building further WD models to investigate variations in WD physics.

Astronomy and AstroPhysics↗
DOE OSTI2024

Consumer-Oriented Energy Use and Range Metrics for Battery Electric Vehicles

The present study was motivated by a need to expand information for consumers offered through the FuelEconomy.Gov website. To that end, a power-based modeling approach has been used to examine the effect of steady-speed driving on estimated range for model year 2020 – 2023 battery electric vehicles (BEVs). This approach allowed rapid study of a broader range of BEV models than could be accomplished through vehicle tests. Publicly accessible certification test results and other data were used to perform a regression between cycle-average tractive power requirements and the resulting electrical power. Importantly, this regression enabled estimation of electric power and energy use over a range of steady highway speeds. These analyses in turn allowed projection of vehicle range at differing speeds. The projections agree within 6% with available 65 MPH manufacturer test data. Analyses of vehicles from model years 2020 – 2023 show that the 5-cycle range and energy use values from the window stickers of new vehicles are reasonable values for steady-speed driving at 65 MPH. Range decreases by a median value of approximately 15% for each 10 MPH increase in speed. The 5-cycle energy use (in kW-Hr / 100 miles) and energy economy (in miles / kW-Hr) derived from the 5-cycle energy use are reasonable estimates for 65 MPH steady speed driving. Energy economy decreases by about 0.5 miles / kW-Hr for every 10 MPH increase in speed.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

The Weak Form Is Stronger Than You Think

The weak form is a ubiquitous, well-studied, and widely-utilized mathematical tool in modern computational and applied mathematics. In this work we provide a survey of both the history and recent developments for several fields in which the weak form can play a critical role. In particular, we highlight several recent advances in weak form versions of equation learning, parameter estimation, and coarse graining, which offer surprising noise robustness, accuracy, and computational efficiency. We note that this manuscript is a companion piece to our October 2024 SIAM News article of the same name. Here we provide more detailed explanations of mathematical developments as well as a more complete list of references. Lastly, we note that the software with which to reproduce the results in this manuscript is also available on our group's GitHub website https://github.com/MathBioCU .

26A33, 35D30, 62FXX, 62JXX, 65L09, 65M32, 68Q32,↗
DOE OSTI2023

Year-long buoy-based observations of the air–sea transition zone off the US west coast

Abstract. Two buoys equipped with Doppler lidars owned by the US Department of Energy (DOE) were deployed off the coast of California in autumn of 2020 by Pacific Northwest National Laboratory. The buoys collected data for an entire annual cycle at two offshore locations proposed for offshore wind development by the Bureau of Ocean Energy Management. One of the buoys was deployed approximately 50 km off the coast near Morro Bay in central California in 1100 m of water. The second buoy was deployed approximately 40 km off Humboldt County in northern California in 625 m of water. The buoys provided the first-ever continuous measurements of the air–sea transition zone off the coast of California. The atmospheric and oceanographic characteristics of the area and estimates of annual energy production at both the Morro Bay and Humboldt wind energy areas show that both locations have a high wind energy yield and are prime locations for future floating offshore wind turbines. This article provides a description and comprehensive analysis of the data collected by the buoys, and a final post-processed dataset is uploaded to a data archive maintained by the DOE. Additional analysis was conducted to show the value of the data collected by the DOE buoys. All post-processed data from this study are available on the Wind Data Hub website: https://a2e.energy.gov/data# (last access: 14 September 2023). Near-surface, wave, current, and cloud datasets for Humboldt and Morro Bay are provided at https://doi.org/10.21947/1783807 (Krishnamurthy and Sheridan, 2023b) and https://doi.org/10.21947/1959715 (Krishnamurthy and Sheridan, 2023a), respectively. Lidar datasets for Humboldt and Morro Bay are provided at https://doi.org/10.21947/1783809 (Krishnamurthy and Sheridan, 2023d) and https://doi.org/10.21947/1959721 (Krishnamurthy and Sheridan, 2023c), respectively.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

National CO 2 budgets (2015–2020) inferred from atmospheric CO 2 observations in support of the global stocktake

Accurate accounting of emissions and removals of CO 2 is critical for the planning and verification of emission reduction targets in support of the Paris Agreement. Here, we present a pilot dataset of country-specific net carbon exchange (NCE; fossil plus terrestrial ecosystem fluxes) and terrestrial carbon stock changes aimed at informing countries' carbon budgets. These estimates are based on “top-down” NCE outputs from the v10 Orbiting Carbon Observatory (OCO-2) modeling intercomparison project (MIP), wherein an ensemble of inverse modeling groups conducted standardized experiments assimilating OCO-2 column-averaged dry-air mole fraction (X CO 2 ) retrievals (ACOS v10), in situ CO 2 measurements or combinations of these data. The v10 OCO-2 MIP NCE estimates are combined with “bottom-up” estimates of fossil fuel emissions and lateral carbon fluxes to estimate changes in terrestrial carbon stocks, which are impacted by anthropogenic and natural drivers. These flux and stock change estimates are reported annually (2015–2020) as both a global 1° x 1° gridded dataset and a country-level dataset and are available for download from the Committee on Earth Observation Satellites' (CEOS) website. Across the v10 OCO-2 MIP experiments, we obtain increases in the ensemble median terrestrial carbon stocks of 3.29–4.58 Pg CO2 yr -1 (0.90–1.25 Pg C yr -1 ). This is a result of broad increases in terrestrial carbon stocks across the northern extratropics, while the tropics generally have stock losses but with considerable regional variability and differences between v10 OCO-2 MIP experiments. We discuss the state of the science for tracking emissions and removals using top-down methods, including current limitations and future developments towards top-down monitoring and verification systems.

54 ENVIRONMENTAL SCIENCES↗