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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Single photon simultaneous K-shell ionization/excitation in C 6 H 6 : experiment and theory

Single photon simultaneous core ionization/core excitation (K -2 V) of the Benzene molecule has been observed experimentally, using synchrotron radiation, by electron coincidence spectroscopy with a magnetic bottle time-of-flight electron spectrometer and reveals a rich spectrum. DFT and Post–Hartree–Fock calculations provide detailed assignments of K -2 V states. The specific Auger decay of these states has also been determined experimentally with a new technique to improve the energy resolution.

Optics↗
DOE OSTI2025

Solitons in Arbitrary Dimensions Stabilized by Photon-Mediated Interactions

We propose a scheme to generate solitons in arbitrary dimensions, in a matter-wave interferometer, without the need of quantum degeneracy. In our setting, solitons emerge by balancing the single-particle dispersion with engineered cavity-mediated exchange interactions between two wave packets, which, at the appropriate conditions, remain bound to each other and dispersion-free. For detection in thermal gases, we propose an interferometric probing scheme instead of traditional time-of-flight imaging.

cavity quantum electrodynamics↗
DOE OSTI2024

Robust Size-Effects Compensation Through Regularized Lever-Arm Estimation

Size effects are an unavoidable nuisance in inertial navigation using sensors which are not co-located at the navigational point of interest. When estimating transforms between the navigation point and sensor locations, some trajectories preclude observation of all model parameters. Regularization is proposed to avoid over-fitting size-effects models. The result yields robust size effects compensation in other regions of flight.

42 ENGINEERING↗
DOE OSTI2025

High-Temperature Neutron Diffraction Study of Vanadium and Vanadium–Niobium Null-Matrix Alloy for Spectrum Normalization

This study systematically evaluates a vanadium–niobium (V 94.1 Nb 5.9 ) null-matrix alloy as a reference material for neutron spectrum normalization and compares its performance with that of pure vanadium under identical experimental conditions. Neutron diffraction experiments are conducted on the VULCAN Engineering Materials Diffractometer at the Spallation Neutron Source, Oak Ridge National Laboratory, over a temperature range from room temperature to 1200 °C under vacuum. Pure vanadium exhibited distinct Bragg peaks across all temperatures, with its diffraction behavior influenced by both sample orientation and temperature. As the temperature increased, the diffraction peaks shifted to larger d-spacings and decreased in intensity, while spectral deviation near d ≈ 2.8 Å exceeded 10% at 1200 °C. In contrast, the V–Nb alloy produced a nearly featureless spectrum over the full d-spacing range, confirming near-complete cancellation of coherent scattering over the wide temperature range. Its spectra were insensitive to sample orientation, temperature, and microstructural evolution, with spectral deviation around d ≈ 2.8 Å exceeded 5% at 1200 °C. In conclusion, these results demonstrate that the V–Nb null-matrix alloy provides a thermally stable, efficient, and reliable normalization standard for time-of-flight diffractometers or other instrument where it is needed, enabling reduced data acquisition time and improved data quality in high-temperature neutron diffraction experiments.

Alloys↗
DOE OSTI2022

A case study of using x-ray Thomson scattering to diagnose the in-flight plasma conditions of DT cryogenic implosions

The design of inertial confinement fusion ignition targets requires radiation-hydrodynamics simulations with accurate models of the fundamental material properties (i.e., equation of state, opacity, and conductivity). Validation of these models is required via experimentation. A feasibility study of using spatially integrated, spectrally resolved, x-ray Thomson scattering measurements to diagnose the temperature, density, and ionization of the compressed DT shell of a cryogenic DT implosion at two-thirds convergence was conducted. Synthetic scattering spectra were generated using 1D implosion simulations from the LILAC code that were post processed with the x-ray scattering model, which is incorporated within SPECT3D. Analysis of two extreme adiabat capsule conditions showed that the plasma conditions for both compressed DT shells could be resolved.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Electric Field Control of Phonon Lifetimes and Thermal Conductivity in Relaxor-Based Ferroelectric

The demand for high energy efficiency drives intense interest in thermal-management technology. Phonons are a major contributor to heat transfer in solids and controlling them through external stimuli is a key challenge for thermal management due to their weak interactions with applied fields. We report significant changes in phonon transport with the application of an electric field over a broad temperature range in a relaxor-based ferroelectric using neutron-scattering and -transport measurements. Phonon lifetimes increase along the applied poling field and this results in a tripling of the thermal conductivity in that direction. We also observe a suppression of nanoscale antiferroelectric fluctuations along the poling direction and argue that this increases the phonon lifetimes. Our results highlight a promising yet underexplored route to realistic solid-state heat switching from electric-field-modified nanostructures altering the phonon lifetimes in disordered functional materials.

Phonons↗
DOE OSTI2025

Spatial distribution of sp 3 defects in carbon fibers via time-of-flight secondary ion mass spectrometry

Defects play a significant role in the material properties of carbon fibers (CF). Several defects result in the formation of sp 3 bonds in an otherwise sp 2 -dominant graphitic structure. Understanding the distribution of these defects within CF provides insight into their properties and the effect of manufacturing conditions. Reports showed time-of-flight secondary ion mass spectrometry (ToF-SIMS) is capable of characterizing the spatial distribution of sp 2 and sp 3 content in carbon materials. Here, ToF-SIMS was utilized to investigate the spatial distribution of sp 3 defects in T700, T1000, and M46 CF. M46 had the lowest sp 3 content. Center-to-edge analysis revealed that T700 CF had a gradient of sp 3 defects starting from the center and increasing to the edge, whereas M46 CF had a sudden increase in sp 3 defects roughly 1 μm from the edge. Comparatively, T1000 CF had a relatively uniform radial distribution of sp 3 defects, except for a newly identified sp 2 rich region at 0.8 μm from the center. This is hypothesized to originate from a skin–core structure that forms during CF manufacturing. As a result, this work demonstrates the utility of ToF-SIMS for characterizing the spatial distribution of sp 3 defects within CF, establishing new ways to understand CF formation.

Carbon fibers↗
DOE OSTI2024

Reduced trap state density in AlGaN/GaN HEMTs with low-temperature CVD-grown BN gate dielectric

In this Letter, low-temperature (400 °C) chemical vapor deposition-grown boron nitride (BN) was investigated as the gate dielectric for AlGaN/GaN metal–insulator–semiconductor high electron mobility transistors (MISHEMTs) on a Si substrate. Comprehensive characterizations using x-ray photoelectron spectroscopy, reflection electron energy loss spectroscopy, atomic force microscope, high-resolution transmission electron microscopy, and time-of-flight secondary ion mass spectrometry were conducted to analyze the deposited BN dielectric. Compared with conventional Schottky-gate HEMTs, the MISHEMTs exhibited significantly enhanced performance with 3 orders of magnitude lower reverse gate leakage current, a lower off-state current of 1 × 10−7 mA/mm, a higher on/off current ratio of 108, and lower on-resistance of 5.40 Ω mm. The frequency-dependent conductance measurement was performed to analyze the BN/HEMT interface, unveiling a low interface trap state density (Dit) on the order of 5 × 1011–6 × 1011 cm−2 eV−1. This work shows the effectiveness of low-temperature BN dielectrics and their potential for advancing GaN MISHEMTs toward high-performance power and RF electronics applications.

Physics↗
DOE OSTI2024

Incorporation of rare earth elements $\text{Sc}$, $\text{Y}$ and $\text{La}$ into gibbsite

Rare earth elements (REE) are increasingly critical resources in technological applications, but the current understanding of their separation by uptake into minerals remains limited. We examined the adsorption and solubilization of scandium (Sc), yttrium (Y), and lanthanum (La) into aluminum hydroxide (gibbsite, Al(OH) 3 ). Based on spectroscopic investigations such as inductively coupled plasma-optical emission spectroscopy (ICP-OES) and time of flight-secondary ion mass spectrometry (ToF-SIMS), only Sc exhibited favorable incorporation and adsorption (0.66 and 0.06 atom%, respectively). Analysis of solid state 45 Sc magic angle spinning-nuclear magnetic resonance spectroscopy (MAS-NMR) indicated that Sc exhibits an octahedral coordination consistent with isolated substitutions for Al in the gibbsite structure, leading to a increase in lattice constants detectable by X-ray diffraction. Density functional theory (DFT) calculations reinforced this interpretation by reproducing the detected structural distortion as well as demonstrating the relatively favorable energetic basis for Sc incorporation into gibbsite by substitution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Energy-resolved neutron imaging and diffraction including grain orientation mapping using event camera technology

Time-of-flight neutron diffraction and energy-resolved imaging each provide unique perspectives into material properties. Neutron diffraction is useful for assessing microstructural parameters such as phase composition, texture, and dislocation densities, though it typically provides averaged data over the sampled volume. Energy-resolved imaging, on the other hand, offers both spatial and spectral information by detecting Bragg edges and neutron absorption resonances, which enables detailed mapping of microstructure and isotopic composition. When combined, these techniques have the potential to enrich our understanding of material behavior across different scales, enhancing our understanding of complex materials. Traditionally, these modalities are conducted on separate instruments, which is time-consuming and poses challenges for data integration. Here, we report the integration of the LumaCam, an event-mode energy-resolved neutron imaging camera with the HIPPO time-of-flight diffractometer at LANSCE. This integration enables simultaneous diffraction and imaging across the full spectrum, with analysis optimized for diffraction and Bragg-edge imaging in the thermal range (0.45–10 Å) and resonance imaging in the epithermal range (0.5–3000 eV), facilitating comprehensive multi-modal analysis. We demonstrate its capabilities through case studies, including spatial mapping of grain orientations in a steel sample and accurate thickness estimations for irregular samples including a depleted uranium cylinder and a natural silver-containing mineral specimen. The combined setup enhances real-time sample alignment and provides comprehensive data for crystal structure, texture, and isotopic composition analysis. This approach opens new possibilities for advanced applications in nuclear engineering, archaeology, and materials science.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Marine Aerosol to Refinery Emissions: Transport and Evolution of CCN in the Houston Metropolitan Area and Their Impact on Cloud Formation

The Experiment of Sea Breeze Convection, Aerosols, Precipitation and Environment (ESCAPE) campaign aimed to untangle the impacts of contrasting aerosol sources on cloud microphysical properties within deep convective cells using airborne observations with the National Research Council Canada (NRC) Convair CV‐580 research aircraft. Horizontal and vertical gradients of aerosol number size distributions, total aerosol concentrations and cloud condensation nuclei (CCN) spectra were measured in the lower troposphere to quantify the impact of different aerosol sources on aerosol‐cloud interactions. This study focuses on a research flight dedicated to characterizing the aerosol and CCN properties in the Houston Metropolitan region and identifies five main categories of aerosols based on characteristics of aerosol number size distributions, their CCN properties and meteorological conditions. These categories encompassed more than two orders of magnitude differences in aerosol and CCN concentrations, yet their hygroscopic properties remained similar. Aerosol number size distributions and effective hygroscopicity parameters are used to generate continuous CCN spectra to represent the major aerosol types. The different CCN spectra are then incorporated into a 1‐D aerosol‐cloud parcel model using a large range of updrafts selected in the range of those observed during the ESCAPE campaign to assess the impact of the major aerosol sources in Houston on deep convective cloud microphysical properties.

aerosol-cloud interactions↗
DOE OSTI2026

Atmospheric Gases as Quantitative Indicators of Urbanization Across Land-Use Gradients

The urban heat island (UHI) effect is a significant phenomenon characterized by higher surface temperatures in cities compared to surrounding rural areas. This change in the Earth's energy balance presents considerable challenges for urban populations, increasing heat exposure, straining energy infrastructure, and exacerbating health vulnerabilities. Quantifying UHI intensity is challenging due to blurred distinctions between urban and rural areas as land-use patterns evolve. To address this challenge, the present study builds on the framework established by Salvador et al. (2025) and investigates the use of atmospheric constituents, specifically volatile organic compounds (VOCs) and inorganic gases, as tracers of urbanization levels. A key improvement in this approach is the inclusion of a designated true rural site for comparison. Field measurements were conducted at two locations in the Southeastern United States during the summer of 2025. Inorganic gases were monitored continuously, while VOC samples were collected biweekly and analyzed using a proton transfer reaction time-of-flight mass spectrometer. The urban site exhibited elevated concentrations of anthropogenic inorganic gases, with carbon monoxide and nitrogen dioxide averaging 878 ppb and 17.99 ppb, respectively. In contrast, the rural site showed lower levels of these pollutants, 796 ppb for carbon monoxide and 12.46 ppb for nitrogen dioxide, while displaying higher concentrations of biogenic VOCs, including isoprene and monoterpenes at 1.24 ppb and 0.08 ppb, respectively. Extended mass spectral analyses revealed distinct chemical differences between the two sites, supporting the observed variability of major gases. Overall, these findings are consistent with our previous research and highlight the value of atmospheric constituents as effective indicators of urbanization, thereby improving our understanding of UHI dynamics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Transient Pulse-Response Time-of-Flight Mass Spectrometry for Complex, Deactivating Heterogeneous Catalytic Systems: Application to Ethane Dehydroaromatization

The study of complex, multistep bond-forming and -breaking reactions in heterogeneous catalytic systems often encounters challenges associated with the involvement of large numbers of intermediates among branching pathways. Kinetic information obtained from traditional steady-state measurements can be complemented with that from time-resolved methods to uncover details of the underlying chemistry. Herein, we describe an approach for tracking the complete time-resolved chemical composition (ca. 4–200 u) of a reactor effluent in response to a reactant pulse. We use a six-port rotary valve with a metered sampling loop to pulse reactants at ambient pressure into a flow reactor packed with a catalyst bed within the isothermal region of a heated furnace. The temporal evolution of effluent species is tracked using time-resolved molecular-beam time-of-flight mass spectrometry. We highlight the possibilities that this method has to offer by studying the complex bifunctional mechanism of ethane dehydroaromatization over an HZSM-5-supported platinum catalyst. We demonstrate that energy-tunable ionization sources, which facilitate isomer resolution, enable the measurement of the full mass spectral time-dependent system response. This includes the evolution of major products and mechanistically relevant reactive intermediates such as 1,3-butadiene and cyclopentadiene; these species have not previously been observed from this reaction. In additional studies, we also assess the role of platinum in the catalyst by examining temporal responses to ethane and ethylene feeds. Results show that two temporally distinct formation pathways exist for methane and benzene, and that their importance depends on both catalyst composition and reactant identity. Additionally, characteristics of catalyst deactivation are uniquely observable in the time-resolved mass spectral response, including the selective deactivation of a benzene formation pathway. The combination of time-of-flight mass spectrometry with tunable ionization enables the simultaneous observation of all effluents in a complex mixture of intermediates with isomer/isobar differentiation capabilities that can be applied to any complex reaction system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Visualization of Solid-State Synthesis for Chalcogenide Na Superionic Conductors by in-situ Neutron Diffraction

Chalcogenide superionic sodium (Na) conductors are great potential as solid electrolytes (SEs) in all-solid-state Na batteries with advantages of high energy density and safety, and cost effectiveness. For solid Na-ion conductors, their crystal structures and ionically conductive properties are strongly influenced by the synthetic approaches and processing parameters. Thus, understanding the synthesis process is essential to control the structures and phases and thereby yields to Na-ion conductors with desirable properties. Thanks to the high-flux and deep-penetrating time-of-flight neutron diffraction (ND), we employed in situ experiments to track real-time structural changes of two chalcogenide SEs (Na 3 SbS 4 and Na 3 SbS 3.5 Se 0.5 ) during the solid-state synthesis. For these two conductors, the ND results reveal a fast one-step reaction for the synthesis and the molten process when heating up, and the recrystallization as well as the cubic-to-tetragonal phase transition up on cooling. Moreover, Se-doping is found to influence the reaction temperatures, lattice parameter and structure stability based on neutron experimental observations and theoretical simulation. This work presents a detailed structural study using in situ neutron diffraction technology for the solid synthesis process of chalcogenide Na-ion conductors, beneficial for the design and synthesis of new solid-state conductors.

25 ENERGY STORAGE↗
DOE OSTI2025

Hybrid PDES Simulation of HPC Networks Using Zombie Packets

Although high-fidelity network simulations have proven to be reliable and cost-effective tools to peer into architectural questions for high-performance computing (HPC) networks, they incur a high resource cost. The time spent in simulating a single millisecond of network traffic in the highest detail can take hours, even for static, well-behaved traffic patterns such as uniform random. Surrogate models offer a significant reduction in runtime, yet they cannot serve as complete replacements and should only be used when appropriate. Thus, there is a need for hybrid modeling, where high-fidelity simulation and surrogates run side-by-side. Here, we present a surrogate model for HPC networks in which: packets bypass the network, while the network state is left untouched, i.e., suspended. To bypass the network, we use historical data to estimate the arrival time at which every packet should be scheduled at; to suspend the network, all in-flight packets are scheduled to arrive at their destinations, and are kept in the system to awaken as zombies when switching back to high-fidelity. Speedup for a hybrid model is relative to the proportion of surrogate to high-fidelity. This light-weight surrogate obtained up to 76× speedup. Keeping the zombies in the network showed an increase in the accuracy of the high-fidelity simulation on restart when compared to restarting the network from an empty state.

HPC networks↗
DOE OSTI2024

Positronium Laser Cooling via the 1 3 S − 2 3 P Transition with a Broadband Laser Pulse

We report on laser cooling of a large fraction of positronium (Ps) in free flight by strongly saturating the 1 3 S − 2 3 P transition with a broadband, long-pulsed 243 nm alexandrite laser. The ground state Ps cloud is produced in a magnetic and electric field-free environment. We observe two different laser-induced effects. The first effect is an increase in the number of atoms in the ground state after the time Ps has spent in the long-lived 2 3 P states. The second effect is one-dimensional Doppler cooling of Ps, reducing the cloud’s temperature from 380(20) to 170(20) K. We demonstrate a 58(9)% increase in the fraction of Ps atoms with v 1 D < 3.7 × 10 4 m s − 1 . Published by the American Physical Society 2024

Glöggler, L. T. (ORCID:0000000301948680)↗
DOE OSTI2024

In-flight performance of S PIDER'S 280-GHz receivers

S PIDER is a balloon-borne instrument designed to map the cosmic microwave background at degree-angular scales in the presence of Galactic foregrounds. S PIDER has mapped a large sky area in the Southern Hemisphere using more than 2000 transition-edge sensors (TESs) during two NASA Long Duration Balloon flights above the Antarctic continent. During its first flight in January 2015, S PIDER observed in the 95 GHz and 150 GHz frequency bands, setting constraints on the B-mode signature of primordial gravitational waves. Its second flight in the 2022-23 season added new receivers at 280 GHz, each using an array of TESs coupled to the sky through feedhorns formed from stacks of silicon wafers. Here, these receivers are optimized to produce deep maps of polarized Galactic dust emission over a large sky area, providing a unique data set with lasting value to the field. In this work, we describe the instrument’s performance during S PIDER'S second flight.

280 GHz cosmology↗