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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 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Bridging New Observational Capabilities and Process-Level Simulation: Insights into Aerosol Roles in the Earth System

The spatial distribution of ambient aerosol particles significantly impacts aerosol–radiation–cloud interactions, which contribute to the largest uncertainty in global anthropogenic radiative forcing estimations. However, the atmospheric boundary layer and lower free troposphere have not been adequately sampled in terms of spatiotemporal resolution, hindering a comprehensive characterization of various atmospheric processes and impeding our understanding of the Earth system. To address this research data gap, we have leveraged the development of uncrewed aerial systems (UAS) and advanced measurement techniques to obtain mesoscale spatial data on aerosol microphysical and optical properties around the U.S. Southern Great Plains (SGP) atmospheric observatory. Our study also benefits from state-of-the-art laboratory facilities that include three-dimensional molecular imaging techniques enabled by secondary ion mass spectrometry and nanogram-level chemical composition analysis via micronebulization aerosol mass spectrometry. Through our study, we have developed a framework for observation–modeling integration, enabling an examination of how various assumptions about the organic–inorganic components mixing state, inferred from chemical analysis, affect clouds and radiation in observation-constrained model simulations. By integrating observational constraints (derived from offline chemical analysis of the aerosol surface using collected samples) with in situ UAS observations, we have identified a prominent role of organic-enriched nanometer layers located at the surface of aerosol particles in determining profiles of aerosol optical and hygroscopic properties over the SGP observatory. Furthermore, we have improved the agreement between predicted clouds and ground-based cloud lidar measurements. This UAS–model–laboratory integration exemplifies how these new advanced capabilities can significantly enhance our understanding of aerosol–radiation–cloud interactions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Implications of Aerosol Physicochemical Properties Including Ice Nucleation at ARM Mega Sites for Improved Understanding of Microphysical Atmospheric Cloud Processes (Final Technical Report)

Continuous, long-term measurements of atmospheric ice-nucleating particles (INPs) that influence clouds and precipitation were conducted to investigate the abundance and variability of ground-level INPs across the world. Three field campaigns were organized by the DOE Atmospheric Radiation Measurement (ARM) program, including Examining INP from Southern Great Plains (ExINP-SGP, 2019), Examining INP from Eastern North Atlantic (ExINP-ENA, 2020 – 2021), and Examining INP from North Slope of Alaska (ExINP-NSA, 2021 – 2024). Additional small-scale supporting field experiments were performed in 2019 and 2021 to collect airborne particulate matter at SGP for complementary laboratory characterization of the particles’ physical and chemical properties [Aerosol-Ice Formation Closure Pilot Study (AEROICESTUDY), 2019; ExINP-SGP II, 2021]. In these studies, the PI’s team measured INP concentration with both real-time and laboratory measurements in a wide range of freezing temperatures ($T$ from 0 °C to about –30 °C). This project elucidated spatial variability and seasonality in the abundance of immersion mode active INPs across three ARM sites using a single instrument, a Portable Ice Nucleation Experiment (PINE) chamber version 03 (PINE-03 hereafter). Collocated aerosol and meteorological data were analyzed to assess the correlation between ambient INP abundance, air mass origin region, and meteorological variability. Our findings suggest very high freezing efficiency of INPs at the NSA site across the measured temperatures (ice nucleation active surface site density, $n_s(T)$, $\approx 2 \times 10^{8} - 10^{10}$ m -2 for from –16 to –31 °C), which is a factor of 10 – 1000 times greater efficiency as compared to that found in the previous mid-latitude INP measurements in autumn using the same instrument; surprisingly high INP abundance ($\ge 1 \text{ L}^{-1}$ at –25 °C) for the examined temperatures throughout the year that PINE-03 did not measure at other sites; and high INP concentration in spring, possibly related to arctic haze episodes.

58 GEOSCIENCES↗
DOE OSTI2025

2D end-to-end modelling of kilonovae from binary neutron star merger remnants

We investigate the kilonova emission resulting from outflows produced in a 3D general-relativistic magnetohydrodynamic (GRMHD) simulation of a hypermassive neutron star (HMNS) remnant. We map the outflows into the flash hydrodynamics code to model their expansion in axisymmetry, and study the effects of employing different r-process heating rates. Except for the highest heating rate prescription, we find no significant differences with respect to overall ejecta dynamics and morphology compared to the simulation without heating. Once homologous expansion is attained, typically after ~2s for these ejecta, we map the outflows to the sedona radiative transfer code and compute the spectral evolution of the kilonova and broad-band light curves in various Legacy Survey of Space and Time (LSST) bands. The kilonova properties depend on the remnant lifetime, with peak luminosities and peak time-scales increasing for longer lived remnants that produce more massive ejecta. For all models, there is a strong dependence of both the bolometric and broad-band light curves on the viewing angle. While the short-lived (12 ms) remnant produces higher luminosities when viewed from angles closer to the pole, longer lived remnants (240 ms and 2.5 s) are more luminous when viewed from angles closer to the equator. Our results highlight the importance of self-consistent, long-term modelling of merger ejecta, and taking viewing-angle dependence into account when interpreting observed kilonova light curves. We find that magnetized outflows from an HMNS – if it survives long enough – could explain blue kilonovae, such as the blue emission seen in AT2017gfo.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Molecular dynamics study of grain boundary and radiation effects on tritium population and diffusion in zirconium

Tritium population thermodynamics and transport kinetics critically define the tritium storage performance of zirconium tritides that can be used for a variety of nuclear applications including tritium-producing burnable absorber rods. Both thermodynamic and kinetic properties can be sensitive to grain sizes of materials and can be significantly altered by irradiated defects during operation under the reactor environments. A thorough experimental characterization of how these properties evolve under different reactor conditions and different initial grain structures is extremely challenging. Here molecular dynamics simulations are used to investigate tritium population and diffusion in zirconium with and without different planar symmetric and asymmetric tilt grain boundaries and irradiated defects. Here, we found that in addition to trapping tritium, the most significant effect of planar grain boundaries is to increase tritium diffusivity on the boundary plane. Furthermore, fine grain structures are found to mitigate the change of tritium diffusivity due to irradiated point defects as these point defects are likely to migrate to and sink at grain boundaries.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

The Role of Outflows, Radiation Pressure, and Magnetic Fields in Massive Star Formation

Stellar feedback in the form of radiation pressure and magnetically driven collimated outflows may limit the maximum mass that a star can achieve and affect the star formation efficiency of massive prestellar cores. Here we present a series of 3D adaptive mesh refinement radiation–magnetohydrodynamic simulations of the collapse of initially turbulent, massive prestellar cores. Our simulations include radiative feedback from both the direct stellar and dust-reprocessed radiation fields, and collimated outflow feedback from the accreting stars. We find that protostellar outflows punch holes in the dusty circumstellar gas along the star’s polar directions, thereby increasing the size of optically thin regions through which radiation can escape. Precession of the outflows as the star’s spin axis changes due to the turbulent accretion flow further broadens the outflow, and causes more material to be entrained. Additionally, the presence of magnetic fields in the entrained material leads to broader entrained outflows that escape the core. We compare the injected and entrained outflow properties and find that the entrained outflow mass is a factor of ∼3 larger than the injected mass and the momentum and energy contained in the entrained material are ∼25% and ∼5% of the injected momentum and energy, respectively. As a result, we find that, when one includes both outflows and radiation pressure, the former are a much more effective and important feedback mechanism, even for massive stars with significant radiative outputs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Friction surface layer deposition of triple-phase Al 10 Cr 12 Fe 35 Mn 23 Ni 20 high entropy alloy: Process optimization and microstructural evolution

A high-strength Co-free triple-phase Al 10 Cr 12 Fe 35 Mn 23 Ni 20 high-entropy alloy (HEA) was successfully fabricated using Friction Surface Layer Deposition (FSLD), a bulk manufacturing method. Multiple single-layer deposits were produced by varying forging force (F) and traverse speeds (T r ) to optimize the process parameters. The optimized conditions (F = 40 kN & T r = 200 mm/min) were then applied to manufacture a scaled-up multi-layer specimen. The initial microstructure of the HEA consisted of coarse grains of the soft FCC-phase, long columnar dendrites of the hard BCC-phase, and small precipitates of the harder B2-phase within the BCC-dendrites. During FSLD, the FCC-matrix underwent continuous dynamic recrystallization due to high-temperature severe plastic deformation, forming finer equiaxed grains. Simultaneously, the BCC-dendrites fractured into smaller fragments, some of which experienced partial growth and coarsening under applied stress, resulting in an hourglass morphology. In contrast, the small B2-precipitates within the BCC-fragments dissolved during the elevated temperatures of FSLD and reprecipitated as substantially finer precipitates during continuous cooling post-FSLD. Additionally, the orientation relationships between the FCC and BCC/B2 phases were completely destroyed by the severe thermoplastic deformation inherent to FSLD. The microstructural refinements led to a substantial improvement in hardness from 177 HV to 283 HV, driven by Hall-Petch strengthening. The increased number of interfaces, including coherent BCC-B2 interfaces, potentially enhances the sink strength and radiation tolerance of the HEA, making it a promising candidate for nuclear applications. In conclusion, this study also highlights FSLD as a versatile technique for achieving tunable properties in HEAs, with detailed schematics illustrating the complex mechanisms of phase transformations during processing.

Additive Manufacturing↗
DOE OSTI2021

Intersystem crossing and exciton–defect coupling of spin defects in hexagonal boron nitride

Despite the recognition of two-dimensional (2D) systems as emerging and scalable host materials of single-photon emitters or spin qubits, the uncontrolled, and undetermined chemical nature of these quantum defects has been a roadblock to further development. Leveraging the design of extrinsic defects can circumvent these persistent issues and provide an ultimate solution. Here, we established a complete theoretical framework to accurately and systematically design quantum defects in wide-bandgap 2D systems. With this approach, essential static and dynamical properties are equally considered for spin qubit discovery. In particular, many-body interactions such as defect–exciton couplings are vital for describing excited state properties of defects in ultrathin 2D systems. Meanwhile, nonradiative processes such as phonon-assisted decay and intersystem crossing rates require careful evaluation, which competes together with radiative processes. From a thorough screening of defects based on first-principles calculations, we identify promising single-photon emitters such as Si VV and spin qubits such as Ti VV and Mo VV in hexagonal boron nitride. This work provided a complete first-principles theoretical framework for defect design in 2D materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

3D printed water-stable Cd-doped Cs 4 MnBi 2 Cl 12 /polylactic acid perovskite/polymer composites for high-flux X-ray scintillation

Stable and efficient X-ray scintillators are crucial for medical diagnostics, industrial, and defense applications. However, conventional scintillator technologies face a trade-off between stability, optimal performance, and sustainability. Herein, we introduce 3D-printed Cs 4 MnBi 2 Cl 12 (Pero1) and Cs 4 Cd 0.68 Mn 0.32 Bi 2 Cl 12 (Pero2) perovskite microcrystals embedded within a polylactic acid (PLA) polymer composite as X-ray scintillators, combining efficiency, stability, and sustainability. The orange luminescent perovskite powder phosphors exhibited poor water stability, which was successfully addressed through incorporation into PLA via filament extrusion and fused deposition modeling (FDM) 3D printing. The resulting composite films demonstrated remarkable water stability while maintaining uniform orange emission throughout the polymer matrix, as confirmed by 3D topography scanning and X-ray fluorescence mapping. Structural characterization revealed minimal chemical interaction between the perovskite and PLA matrix, with the composites retaining their crystalline properties. The PLA-Pero2 composite exhibited superior optical properties, with a photoluminescence quantum yield of 47%, nearly 17 times higher than that of PLA-Pero1 (2.8%), attributed to the effective suppression of non-radiative decay pathways through Cd 2+ doping. Under hard X-ray irradiation at synchrotron beamlines, both composites exhibited excellent radioluminescence, with emission peaks at 605 nm, a linear response across a wide X-ray flux range, and remarkable radiation stability, showing less than 3% intensity degradation after 600 seconds of continuous high-dose exposure. The PLA-Pero2 composite achieved a spatial resolution of 5 line pairs per millimeter and a contrast ratio of 0.255. These performance metrics, combined with the polymer's biodegradability and scalability through additive manufacturing, position PLA-based composites as a more sustainable alternative to conventional petroleum-based polymer scintillators for next-generation medical imaging, radiation monitoring, and industrial radiography applications.

3D Printing↗
DOE OSTI2022

Influence of nuclear quantum effects on the electronic properties of amorphous carbon

We carry out quantum simulations to study the physical properties of diamond-like amorphous carbon by coupling first-principles molecular dynamics with a quantum thermostat, and we analyze multiple samples representative of different defective sites present in the disordered network. We show that quantum vibronic coupling is critical in determining the electronic properties of the system, in particular its electronic and mobility gaps, while it has a moderate influence on the structural properties. We find that despite localized electronic states near the Fermi level, the quantum nature of the nuclear motion leads to a renormalization of the electronic gap surprisingly similar to that found in crystalline diamond. We also discuss the notable influence of nuclear quantum effects on band-like and variable-hopping mechanisms contributing to electrical conduction. Our calculations indicate that methods often used to evaluate electron–phonon coupling in ordered solids are inaccurate to study the electronic and transport properties of amorphous semiconductors composed of light atoms.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Evaluated Nuclear Structure Data File (ENSDF)

Contains recommended nuclear structure and decay data for all the known nuclides, which are obtained following a critical review of all available experimental data, supplemented with systematic trend studies and theoretical models. ENSDF data include (i) nuclear level properties, such as observation source, energy, half-life, decay modes, spin and parity; (ii) gamma ray energies, intensities, multipolarities, mixing ratios and conversion coefficients; (iii) nuclear radiation energy and intensity as well as radiation-specific data for different radiation types, such as such as gammas, alphas, betas and neutrons. Data for about 220 nuclides are fully evaluated each year; additionally, many datasets are partially updated each year. Nearly all the evaluation work is supported by the US Nuclear Data Program. The National Nuclear Data Center at Brookhaven National Laboratory is responsible for coordinating the evaluation effort as well as its web and journal dissemination.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Examining the Ice-Nucleating Particles from the Southern Great Plains Field Campaign Report

The recent U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility field campaign, named Examining the Ice-Nucleating Particles from Southern Great Plains (ExINP-SGP), targeted experimentally characterizing abundance and other properties of ambient ice-nucleating particles (INPs) at the SGP site in Oklahoma (36° 36' 18" N, 97° 29' 6" W) during the period of October 1 to November 14, 2019. This campaign was funded through the DOE Office of Science Early Career Research Program (DE-SC0018979) as one of three major campaigns to be conducted at three ARM observatories, including the Eastern North Atlantic (ENA) station in 2020–2021 and North Slope of Alaska (NSA) site in 2021–2023, besides SGP. Different INP episodes were assessed to develop an SGP-relevant ice nucleation parameterization that would help understand convective and mixed-phase cloud systems typically observed in this region.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Measuring Vibronic Coupling and Ultrafast Charge Delocalization on Nanocrystal Surfaces Using Ligand-Specific Vibrational Probes

The primary goal of this proposal was to measure and quantify how vibronic ligand-exciton interactions at the inorganic-organic interface of semiconductor nanocrystals (NCs) govern femtosecond non-radiative relaxation and charge delocalization mechanisms as a function of nanocrystal and ligand structures – including NC size, shape, and ligand identity. Molecular-scale chemical and physical properties and interactions of surface ligands dictate nanocrystal exciton dynamics on the femto-to-microsecond timescales. Improvements in synthesis, experimental, and theoretical characterizations have enhanced our understanding of NC photophysics. However, quantitative descriptions of complex ligand-exciton interactions at the NC surface have remained elusive, which limits elucidation of relaxation mechanisms that determine overall carrier transfer dynamics at the exciton-ligand interface. Thus, the central motivation for this proposal was to fill a significant knowledge gap for judicious selection of ligand-functionalized nanocrystals for targeted isolation and capture of charge carriers to drive selective organic photocatalytic transformations in NC photocatalysts and NC-assembled photonic materials. Our unique two-pronged experimental approach combining nanocrystal synthesis and ligand-specific nonlinear spectroscopy has resulted in (i) four peer-reviewed publications; (ii) 12+ invited and contributed posters and talks at national and international scientific meetings and seminars, (iii) two completed PhD theses, (iv) training of two postdoctoral researchers, three PhD students, and two undergraduate students, and (v) two manuscripts under preparation.

36 MATERIALS SCIENCE↗
DOE OSTI2026

GNSS Installation at the Eastern North Atlantic (ENA) Atmospheric Observatory Field Campaign Report

GRUAN, the Global Climate Observing System (GCOS) Reference Upper Air Network, is an international reference observing network of sites measuring essential climate variables above Earth's surface, designed to fill an important gap in the current global observing system. GRUAN’s objectives are to (1) provide long-term, high-quality climate records, (2) constrain and calibrate data from more spatially comprehensive global observing systems (including satellites and current radiosonde networks), and (3) fully characterize the properties of the atmospheric column.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Dynamical Control of Broadband Coherent Absorption in ENZ Films

Interferometric effects between two counter-propagating beams incident on an optical system can lead to a coherent modulation of the absorption of the total electromagnetic radiation with 100% efficiency even in deeply subwavelength structures. Coherent perfect absorption (CPA) rises from a resonant solution of the scattering matrix and often requires engineered optical properties. For instance, thin film CPA benefits from complex nanostructures with suitable resonance, albeit at a loss of operational bandwidth. In this work, we theoretically and experimentally demonstrate a broadband CPA based on light-with-light modulation in epsilon-near-zero (ENZ) subwavelength films. We show that unpatterned ENZ films with different thicknesses exhibit broadband CPA with a near-unity maximum value located at the ENZ wavelength. By using Kerr optical nonlinearities, we dynamically tune the visibility and peak wavelength of the total energy modulation. Our results based on homogeneous thick ENZ media open a route towards on-chip devices that require efficient light absorption and dynamical tunability.

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

A Machine Learning Framework to Predict Images of Edge-on Protoplanetary Disks

The physical structure and properties of protoplanetary disks are typically derived from spatially resolved disk images. Edge-on disks in particular provide an important view point on the vertical structure and degree of settling of disks. Such analyses rely on radiative transfer (RT) calculations that are generally computationally intensive due to the high optical depth of disks. Here we present a machine learning framework that has the potential to dramatically speed up the forward modeling process by approximating the results of RT calculations. This framework, trained on an initial set of RT calculations, utilizes an autoencoder neural network to enable the generation of synthetic scattered light images of edge-on disks directly from a set of physical parameters. We demonstrate that this framework generates synthetic images 2–3 orders of magnitude faster than using RT calculations. These machine learning-generated images appear to approximate the RT images well, in particular preserving their size and shape. We also find a strong correlation between the latent space representations of the generated disk images and several of their associated physical parameters. Finally, we discuss potential changes to the framework, such as methods to further improve the image quality, extending the framework to multiple wavelengths, and inverting the process to infer physical parameters from observed images. Overall, these new tools have the potential to enable a more efficient and uniform analysis of edge-on disk properties and the initial conditions of planet formation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

A section 110 evaluation of the huron king test chamber, area 3, nevada national security site, nye county, nevada

The U.S. Department of Energy, National Nuclear Security Administration Nevada Field Office tasked Desert Research Institute (DRI) with the identification and evaluation of the Huron King Test Chamber as part of their cultural resources program obligations under Section 110 of the National Historic Preservation Act. The Huron King nuclear test was a vertical line-of-sight weapons effects test that took place in Area 3 on June 24, 1980. Unique to this event was a specially designed aboveground test chamber that held a model defense communications satellite in a vacuum tank meant to replicate the space environment. Sponsored by the Defense Nuclear Agency, the purpose of the experiment was to understand the response of the satellite and its materials and equipment to an electromagnetic pulse and attendant radiation. Between July and August 2022, DRI conducted an archival review on the Huron King experiment and its associated test chamber. Subsequently, pedestrian fieldwork was undertaken at the Huron King Test Chamber by DRI on September 29, 2022. During fieldwork, the outside of the test chamber was documented using a Nevada State Historic Preservation Office Architectural Resource Assessment form. This effort included verifying the substructures that compose the test chamber as determined by the archival review, as well as obtaining a detailed photographic recordation of the exterior and assessing its current condition. Notably, the site where the Huron King test took place has been abandoned and almost entirely naturalized. All of the portable instrumentation trailers, communications and data cabling, and winch systems used to retract the test chamber following the detonation were removed after completion of the experiment in 1980. Only the subsidence crater and the test chamber remain as physical evidence of this experiment. Based on these findings, DRI recommends that the Huron King Test Chamber is eligible for listing in the National Register of Historic Places (NRHP) at the local level under Significance Criteria A and C and that it meets Criteria Consideration G for properties less than 50 years old.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

2024 Atmospheric Radiation Measurement (ARM) Annual Report

This report provides an overview of the Atmospheric Radiation Measurement (ARM) user facility and a sample of achievements for fiscal year 2024 (FY2024). Strong collaborations between nine DOE national laboratories enable ARM to successfully operate in remote locations around the world. This unique partnership supports the DOE mission to provide for the energy security of the nation. Without the support of the following laboratories, ARM would not be the state-of-the-art facility that it is today. ARM is a multi-laboratory, U.S. Department of Energy (DOE) Office of Science user facility and a key contributor to national and international atmospheric and climate research efforts. ARM offers scientists cutting-edge, ground-based observatories, aerial observation capabilities, and high-performance computing. ARM’s capabilities have enabled more than 30 years of continuous measurements of cloud and aerosol properties and their effects on Earth’s energy balance.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Statistical characteristics of laser interference and its effect on IR optoelectronic observation systems

We consider statistical characteristics of laser interference recorded in the focal region of an IR optoelectronic observation system under field and out-of-field illumination by laser radiation. The applicability of the analytical description of experimental histograms of the laser interference signal distribution at the photodetector array output using the probability density approximations in the form of gamma distribution and the Gaussian function is substantiated. It is shown that the specific form of these functions is determined both by the mean value (mathematical expectation) of the interference signal and by the characteristic parameter M, which depends on the statistical properties of the laser interference. (laser applications and other issues in quantum electronics)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗