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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Identification of a new isomeric state in 76 Zn following the β decay of 76 Cu

Background: The evolution of nuclear shell structure far from stability can be explored by identifying and measuring the properties of isomers. Neutron-rich nuclei between the Z = 28 and Z = 50 closed shells have been the subject of recent studies which have identified a number of 0.1 - 10 µs isomers and measured detailed spectroscopic properties. Purpose: The purpose of this analysis was to identify and measure the properties of short-lived isomeric states populated following β decay in Z ≈ 30, N ≈ 50 nuclei near the doubly magic nucleus 78 Ni. Methods: Here, radioactive ions produced by beam fragmentation at the National Superconducting Cyclotron Laboratory were implanted into a CeBr 3 scintillator coupled to a pixelated photomultiplier tube. Ancillary arrays of HPGe clover and LaBr 3 detectors were positioned around the implantation detector to measure β-delayed γ rays. Results: The previously observed 2634-keV level in 76 Zn, populated following the β decay of 76 Cu, was identified as isomeric with a half-life of 25.4(4) ns. A combination of timing and γ-ray spectroscopy was used to confirm this assignment. Shell-model calculations were performed and indicate that this state may be a high-spin negativeparity state formed by the occupation of the ν0g 9/2 orbital. Conclusions: A new isomeric state in 76 Zn has been identified and its half-life was measured. Ambiguity about the structure of this state could be resolved with further experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Latent Stochastic Differential Equations for Modeling Quasar Variability and Inferring Black Hole Properties

Quasars are bright and unobscured active galactic nuclei (AGN) thought to be powered by the accretion of matter around supermassive black holes at the centers of galaxies. The temporal variability of a quasar’s brightness contains valuable information about its physical properties. The UV/optical variability is thought to be a stochastic process, often represented as a damped random walk described by a stochastic differential equation (SDE). Upcoming wide-field telescopes such as the Rubin Observatory Legacy Survey of Space and Time (LSST) are expected to observe tens of millions of AGN in multiple filters over a ten year period, so there is a need for efficient and automated modeling techniques that can handle the large volume of data. Latent SDEs are machine learning models well suited for modeling quasar variability, as they can explicitly capture the underlying stochastic dynamics. In this work, we adapt latent SDEs to jointly reconstruct multivariate quasar light curves and infer their physical properties such as the black hole mass, inclination angle, and temperature slope. Our model is trained on realistic simulations of LSST ten year quasar light curves, and we demonstrate its ability to reconstruct quasar light curves even in the presence of long seasonal gaps and irregular sampling across different bands, outperforming a multioutput Gaussian process regression baseline. Our method has the potential to provide a deeper understanding of the physical properties of quasars and is applicable to a wide range of other multivariate time series with missing data and irregular sampling.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Understanding Aitken Mode Aerosol Variability over the Southern Ocean and Antarctica: Insights from Cloud Condensation Nuclei Data

Aitken mode aerosol particles play an important role influencing cloud properties and sustenance, acting as a reservoir of potential cloud condensation nuclei against precipitation scavenging. However, there is limited data on Aitken mode aerosols. In this study, we develop a method to estimate Aitken mode aerosol concentrations and size distribution using cloud condensation nuclei measurements (CCN) and κ-Köhler theory. The performance of this method is evaluated using scanning mobility particle sizer (SMPS) data from recent field campaigns to demonstrate its skills and applicability. The method reasonably estimates Aitken- and accumulation-mode aerosol concentrations, achieving correlations of 0.7–0.9 with only modest biases (mean fractional bias within ±23% for Aitken mode and ±34% for accumulation-mode). This method is further applied to measurements collected over the Southern Ocean and Antarctica in recent years from multiple platforms, including ground sites, aircraft, and ships, to derive Aitken and accumulation-mode aerosol concentrations. Using the derived data, we examine the seasonal cycle, latitudinal variations, and vertical distribution of aerosols. Aitken mode aerosol concentrations are elevated over the Southern Ocean and Antarctica during the austral summer similar to the accumulation mode. In the austral summer, the free troposphere has more Aitken mode aerosols and fewer accumulation mode aerosols than the boundary layer, and thus likely serves as an important source of cloud-forming aerosol while also diluting the accumulation mode.

Kang, Litai [University of Washington] (ORCID:0000↗
DOE OSTI2020

Reionization with galaxies and active galactic nuclei

In this work we investigate the properties of the sources that reionized the intergalactic medium (IGM) in the high-redshift Universe. Using a semi-analytical model aimed at reproducing galaxies and black holes in the first ~1.5 Gyr of the Universe, we revisit the relative role of star formation and black hole accretion in producing ionizing photons that can escape into the IGM. Both star formation and black hole accretion are regulated by supernova feedback, resulting in black hole accretion being stunted in low-mass haloes. We explore a wide range of combinations for the escape fraction of ionizing photons (redshift-dependent, constant, and scaling with stellar mass) from both star formation ( |$\langle f_{\rm esc}^{\rm sf} \rangle$| ) and AGN ( |$f_{\rm esc}^{\rm bh}$| ) to find: (i) the ionizing budget is dominated by stellar radiation from low stellar mass ( |$M_*\lt 10^9 \, {\rm \rm M_\odot }$| ) galaxies at z > 6 with the AGN contribution (driven by |$M_{bh}\gt 10^6 \, {\rm \rm M_\odot }$| black holes in |$M_* \gtrsim 10^9\, {\rm \rm M_\odot}$| galaxies) dominating at lower redshifts; (ii) AGN only contribute |$10-25{{\ \rm per\ cent}}$| to the cumulative ionizing emissivity by z = 4 for the models that match the observed reionization constraints; (iii) if the stellar mass dependence of |$\langle f_{\rm esc}^{\rm sf} \rangle$| is shallower than |$f_{\rm esc}^{\rm bh}$| , at z < 7 a transition stellar mass exists above which AGN dominate the escaping ionizing photon production rate; (iv) the transition stellar mass decreases with decreasing redshift. While AGN dominate the escaping emissivity above the knee of the stellar mass function at z ~ 6.8, they take-over at stellar masses that are a tenth of the knee mass by z = 4.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

High-Resolution Momentum Imaging—From Stern’s Molecular Beam Method to the COLTRIMS Reaction Microscope [Book Chapter]

Multi-particle momentum imaging experiments are now capable of providing detailed information on the properties and the dynamics of quantum systems in Atomic, Molecular and Photon (AMO) physics. Historically, Otto Stern can be considered the pioneer of high-resolution momentum measurements of particles moving in a vacuum and he was the first to obtain sub-atomic unit (a.u.) momentum resolution (Schmidt-Böcking et al. in The precision limits in a single-event quantum measurement of electron momentum and position, these proceedings). A major contribution to modern experimental atomic and molecular physics was his so-called molecular beam method, which Stern developed and employed in his experiments. With this method he discovered several fundamental properties of atoms, molecules and nuclei. As corresponding particle detection techniques were lacking during his time, he was only able to observe the averaged footprints of large particle ensembles. Today it is routinely possible to measure the momenta of single particles, because of the tremendous progress in single particle detection and data acquisition electronics. A “state-of-the-art” COLTRIMS reaction microscope can measure, for example, the momenta of several particles ejected in the same quantum process in coincidence with sub-a.u. momentum resolution. Such setups can be used to visualize the dynamics of quantum reactions and image the entangled motion of electrons inside atoms and molecules. This review will briefly summarize Stern’s work and then present in longer detail the historic steps of the development of the COLTRIMS reaction microscope. Furthermore, some benchmark results are shown which initially paved the way for a broad acceptance of the COLTRIMS approach. Finally, a small selection of milestone work is presented which has been performed during the last two decades.

Jahnke, T.↗
DOE OSTI2020

Synchrotron Imaging of Pore Formation in Li Metal Solid-State Batteries Aided by Machine Learning

High-rate capable, reversible lithium metal anodes are necessary for next generation energy storage systems. In situ tomography of Li/LLZO/Li cells is carried out to track morphological transformations in Li metal electrodes. Machine learning enables tracking the lithium metal morphology during galvanostatic cycling. Nonuniform lithium electrode kinetics are observed at both electrodes during cycling. Hot spots in lithium metal are correlated with microstructural anisotropy in LLZO. Mesoscale modeling reveals that regions with lower effective properties (transport and mechanical) are nuclei for failure. Advanced visualization combined with electrochemistry represents an important pathway toward resolving non-equilibrium effects that limit rate capabilities of solid-state batteries.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Determining hexavalent chromium transport properties in alkaline nuclear waste using nuclear magnetic resonance spectroscopy

This study focuses on the transport properties of hexavalent chromium, specifically the chromate anion, to improve predictive models and environmental remediation strategies for Cr(VI) migration. Using 53 Cr Nuclear Magnetic Resonance (NMR) spectroscopy, the research quantifies chromate in multicomponent electrolytes replicating nuclear waste conditions at the Hanford Site in Washington State. The consistency of the 53 Cr NMR signal integral with chromate concentration, despite varying matrix compositions, establishes it as a reliable concentration indicator. The transport properties of chromate in an alkaline solution were assessed using relaxation-based measurements via saturation recovery and Carr-Purcell-Meiboom-Gill experiments, determining spin-lattice and spin-spin relaxation times. These measurements, combined with the Bloembergen-Purcell-Pound equation, helped estimate the rotational correlation time and the 53 Cr self-diffusion coefficient using Stokes-Einstein-Debye and Stokes-Einstein equations. Direct measurements were obtained through pulsed field gradient stimulated echo 53 Cr NMR spectroscopy. Monte Carlo simulations further estimated uncertainty propagation. The results enhance comprehension of chromate transport and highlight prospects for identifying transport properties of NMR-active nuclei, traditionally considered unreachable.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

The quest for superheavy elements and the limit of the periodic table

The borders of the periodic table of the elements and of the chart of nuclides are not set in stone. The desire to explore the properties of atoms and their nuclei in a regime of very large numbers of electrons, protons and neutrons has motivated new experimental facilities to create new elements and nuclides at the limits of atomic number and mass. But the small production rates and short lifetimes of superheavy nuclei and their atoms mean that ‘atom-at-a-time’ studies are the only experimental way to probe them. The physical and chemical data obtained so far, augmented by theoretical calculations, indicate significant deviations from extrapolations from lighter elements and isotopes. This situation raises the following question: how much further can one push the limits of the periodic table? Here, in this Review, we describe the major challenges in the field of the superheavy elements and speculate about future directions.

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

Upper troposphere dust belt formation processes vary seasonally and spatially in the Northern Hemisphere

Dust aerosols impact global energy balance substantially by acting as efficient ice nuclei to alter cold cloud properties. However, the estimate of dust indirect effect remains uncertain due to simulating dust distributions poorly and lacking reliable dust observations, especially in the upper-troposphere. Here, we characterize and understand upper-troposphere dust sources and transport with an improved dust dataset derived from A-train satellite lidar and radar measurements and an air parcel trajectory model. The distinct upper-troposphere dust belt over the northern hemisphere has seasonally varying base and top heights of 3.65 ± 2.84 and 8.35 ± 1.50 km above mean sea level and its column loading is strongest during spring (March-April-May). The out-of-phase annual cycles of mid-level dust concentration and westerly wind over source regions control the seasonal upper-tropospheric dust loading variations. African deserts contribute the most (46.3%) to the upper-troposphere dust belt in spring and the synoptic trough is the leading (49%) dust lifting mechanism.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

The impact of isospin dependence of pairing on fission barriers in the fission cycling regions

A systematic analysis of the ground state and fission properties of actinides and superheavy nuclei important for the r process modeling has been performed within the framework of covariant density functional theory for the first time in Ref. A brief review of the results related to the heights of primary fission barriers and systematic uncertainties in their prediction is presented. In addition, new results on the potential impact of the isospin dependence of pairing on fission barriers in fission cycling regions is provided for the first time.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Extended Fayans energy density functional: optimization and analysis

The Fayans energy density functional (EDF) has been very successful in describing global nuclear properties (binding energies, charge radii, and especially differences of radii) within nuclear density functional theory. In a recent study, supervised machine learning methods were used to calibrate the Fayans EDF. Building on this experience, in this work we explore the effect of adding isovector pairing terms, which are responsible for different proton and neutron pairing fields, by comparing a 13D model without the isovector pairing term against the extended 14D model. At the heart of the calibration is a carefully selected heterogeneous dataset of experimental observables representing ground-state properties of spherical even–even nuclei. To quantify the impact of the calibration dataset on model parameters and the importance of the new terms, we carry out advanced sensitivity and correlation analysis on both models. The extension to 14D improves the overall quality of the model by about 30%. The enhanced degrees of freedom of the 14D model reduce correlations between model parameters and enhance sensitivity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Emulating ab initio computations of infinite nucleonic matter

We construct efficient emulators for the computation of the infinite nuclear matter equation of state. These emulators are based on the subspace-projected coupled-cluster method for which we here develop a new algorithm called small-batch voting to eliminate spurious states that might appear when emulating quantum many-body methods based on a non-Hermitian Hamiltonian. The efficiency and accuracy of these emulators facilitate a rigorous statistical analysis within which we explore nuclear matter predictions for > 10 6 different parametrizations of a chiral interaction model with explicit Δ -isobars at next-to-next-to leading order. Constrained by nucleon-nucleon scattering phase shifts and bound-state observables of light nuclei up to He 4 , we use history matching to identify nonimplausible domains for the low-energy coupling constants of the chiral interaction. Within these domains we perform a Bayesian analysis using sampling and importance resampling with different likelihood calibrations and study correlations between interaction parameters, calibration observables in light nuclei, and nuclear matter saturation properties. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

The Aerosol Model Benchmarking Repository: A toolkit for model intercomparison

The Aerosol Model Benchmarking Repository and Standards (AMBRS) project was initiated to provide tools and to establish community standards for benchmarking aerosol models. This report describes a set of open-source tools for building, running, and analyzing aerosol box model simulations in a standardized framework. The framework consists of three core components: AMBuilder, a CMake-based build system that compiles supported models consistently; AMBRS, a Python module that defines unified numerical experiments and executes them with aligned inputs; and PyParticle, an aerosol analysis package that standardizes output, computes diagnostics, and visualizes simulation results. Together, these tools enable reproducible intercomparison of aerosol schemes and support process-level evaluation of how model simplifications affect predictions of size distributions, cloud condensation nuclei activity, and other relevant properties relevant for the Earth-Energy system. Beyond its role in benchmarking, AMBRS provides a platform for studying aerosol processes across scales and can be used to generate training data for AI/ML applications in support of a broader hierarchical aerosol modeling strategy.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

An overview of the ORACLES (ObseRvations of Aerosols above CLouds and their intEractionS) project: aerosol–cloud–radiation interactions in the southeast Atlantic basin

Southern Africa produces almost a third of the Earth's biomass burning (BB) aerosol particles, yet the fate of these particles and their influence on regional and global climate is poorly understood. ORACLES (ObseRvations of Aerosols above CLouds and their intEractionS) is a 5-year NASA EVS-2 (Earth Venture Suborbital-2) investigation with three intensive observation periods designed to study key atmospheric processes that determine the climate impacts of these aerosols. During the Southern Hemisphere winter and spring (June-October), aerosol particles reaching 3-5 km in altitude are transported westward over the southeast Atlantic, where they interact with one of the largest subtropical stratocumulus (Sc) cloud decks in the world. The representation of these interactions in climate models remains highly uncertain in part due to a scarcity of observational constraints on aerosol and cloud properties, as well as due to the parameterized treatment of physical processes. Three ORACLES deployments by the NASA P-3 aircraft in September 2016, August 2017, and October 2018 (totaling ~350 science flight hours), augmented by the deployment of the NASA ER-2 aircraft for remote sensing in September 2016 (totaling ~100 science flight hours), were intended to help fill this observational gap. ORACLES focuses on three fundamental science themes centered on the climate effects of African BB aerosols: (a) direct aerosol radiative effects, (b) effects of aerosol absorption on atmospheric circulation and clouds, and (c) aerosol–cloud microphysical interactions. This paper summarizes the ORACLES science objectives, describes the project implementation, provides an overview of the flights and measurements in each deployment, and highlights the integrative modeling efforts from cloud to global scales to address science objectives. Significant new findings on the vertical structure of BB aerosol physical and chemical properties, chemical aging, cloud condensation nuclei, rain and precipitation statistics, and aerosol indirect effects are emphasized, but their detailed descriptions are the subject of separate publications. The main purpose of this paper is to familiarize the broader scientific community with the ORACLES project and the dataset it produced.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

First polarization study of the M87 jet and active galactic nuclei at submillimeter wavelengths with ALMA

We investigated the polarization and Faraday properties of Messier 87 (M87) and seven other radio-loud active galactic nuclei (AGNs) at λ0.87 mm (345 GHz) using the Atacama Large Millimeter/submillimeter Array (ALMA). Our goal was to characterize the linear polarization (LP) fractions, measure Faraday rotation measures (RMs), and examine the magnetic field structures in the emission regions of these AGNs. We conducted full-polarization observations as part of the ALMA Band 7 very long baseline interferometry (VLBI) commissioning during the April 2021 Event Horizon Telescope (EHT) campaign. We analyzed the LP fractions and RMs to assess the nature of Faraday screens and magnetic fields in the submillimeter emission regions. We find LP fractions between 1% and 17% and RMs exceeding 10 5 rad m −2 , which are 1–2 orders of magnitude higher than typically observed at longer wavelengths (λ>3 mm). This suggests denser Faraday screens or stronger magnetic fields. Additionally, we present the first submillimeter polarized images of the M87 jet and the observed AGNs, revealing RM gradients and sign reversals in the M87 jet indicative of a kiloparsec-scale helical magnetic field structure. Our results provide essential constraints for calibrating, analyzing, and interpreting VLBI data from the EHT at 345 GHz, representing a critical step toward submillimeter VLBI imaging.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure calculations

The high computational scaling with the basis set size and the number of correlated electrons is a bottleneck limiting applications of coupled cluster algorithms, in particular for calculations based on two- or four-component relativistic Hamiltonians, which often employ uncontracted basis sets. This problem may be alleviated by replacing canonical Hartree–Fock virtual orbitals by natural orbitals (NOs). Here, in this paper, we describe the implementation of a module for generating NOs for correlated wavefunctions and, in particular, second order Møller–Plesset perturbation frozen natural orbitals (MP2FNOs) as a component of our novel implementation of relativistic coupled cluster theory for massively parallel architectures [Pototschnig et al. J. Chem. Theory Comput. 17, 5509, (2021)]. Our implementation can manipulate complex or quaternion density matrices, thus allowing for the generation of both Kramers-restricted and Kramers-unrestricted MP2FNOs. Furthermore, NOs are re-expressed in the parent atomic orbital (AO) basis, allowing for generating coupled cluster singles and doubles NOs in the AO basis for further analysis. By investigating the truncation errors of MP2FNOs for both the correlation energy and molecular properties—electric field gradients at the nuclei, electric dipole and quadrupole moments for hydrogen halides HX (X = F–Ts), and parity-violating energy differences for H 2 Z 2 (Z = O–Se)—we find MP2FNOs accelerate the convergence of the correlation energy in a roughly uniform manner across the Periodic Table. It is possible to obtain reliable estimates for both energies and the molecular properties considered with virtual molecular orbital spaces truncated to about half the size of the full spaces.

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

On the relation of host properties and environment of AGN galaxies across the standard optical diagnostic diagram

ABSTRACT We study the host properties and environment of active galactic nuclei (AGNs) galaxies, taken from SDSS-DR12, across the [O iii]/H β versus [N ii]/H α diagnostic diagram. We select AGN subsamples defined as parallel and perpendicular to the star-forming locus on the BPT diagram based on the Kauffmann et al. and Schawinski et al. criteria. For parallel subsamples we find that AGN host properties exhibit a morphological evolution as they become more distant to the star-forming sequence. The local density environment shows a more evident morphology–density relationship for subsamples mainly formed by Composite and Spiral galaxies than those containing LINERs and Seyferts, where the AGN emission is the dominant source. We also analyse the properties of the five closest AGN neighbours observing no significant differences in the environment, although the AGN host properties of every subsample have noticeable variations. The AGNs belonging to perpendicular subsamples show clear differences on their host properties from left top to right bottom on the diagram. However, the analysis of the local density environment do not reflect strong dependency with the host AGN properties. This result is reinforced by the characteristics of the AGN neighbouring galaxies. These findings suggest that mixed AGN/star-forming galaxies present environmental features more similar to that of non-active galaxies. However, as AGNs at the centre of the more evolved galaxies become the dominant source, the environment tends to provide suitable conditions for the central black hole feeding with an increasing content of gas and likelihood of a higher merger rate.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Measurements of aerosol microphysical and chemical properties in the central Arctic atmosphere during MOSAiC

The Arctic environment is transforming rapidly due to climate change. Aerosols’ abundance and physicochemical characteristics play a crucial, yet uncertain, role in these changes due to their influence on the surface energy budget through direct interaction with solar radiation and indirectly via cloud formation. Importantly, Arctic aerosol properties are also changing in response to climate change. Despite their importance, year-round measurements of their characteristics are sparse in the Arctic and often confined to lower latitudes at Arctic land-based stations and/or short high-latitude summertime campaigns. Here, we present unique aerosol microphysics and chemical composition datasets collected during the year-long Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition, in the central Arctic. These datasets, which include aerosol particle number concentrations, size distributions, cloud condensation nuclei concentrations, fluorescent aerosol concentrations and properties, and aerosol bulk chemical composition (black carbon, sulfate, nitrate, ammonium, chloride, and organics) will serve to improve our understanding of high-Arctic aerosol processes, with relevance towards improved modelling of the future Arctic (and global) climate.

54 ENVIRONMENTAL SCIENCES↗