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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Distinct Gas-Particle Partitioning and Viscosity Characteristics of Secondary Organic Aerosols Derived from α-Pinene versus Ocimene

Secondary organic aerosols (SOA) have complex, multicomponent composition that controls particle viscosity and gas-particle partitioning, key factors to their atmospheric evolution. This study investigates the chemical composition, volatility and viscosity of SOA formed by ozonolysis of cyclic α-pinene (PSOA) and acyclic ocimene (OSOA) monoterpenes. Using Temperature-Programmed Desorption combined with Direct Analysis in Real-Time ionization and High-Resolution Mass Spectrometry, we determined the molecular composition and saturation mass concentration of individual SOA constituents. These data enabled gas-particle partitioning and viscosity estimates under varied atmospheric conditions. PSOA, composed of higher molecular weight and less oxidized species, shows higher condensability and viscosity under high total organic mass (tOM) loadings. Here, in contrast, OSOA, consisting of more oxidized, lower molecular weight species, exhibits greater sensitivity to tOM, with viscosity increasing significantly upon dilution. Poke-flow experiments support this trend, indicating that OSOA undergoes more dynamic compositional and phase changes during atmospheric aging. These observations reveal distinct dynamic trends in the atmospheric transformations and reactivity of SOA from cyclic and acyclic monoterpenes, with the latter showing greater compositional changes during aging that alter viscosity and diffusion. This highlights the importance of incorporating such dynamic transformations into atmospheric models to improve predictions of SOA atmospheric loadings, lifetimes, and impacts.

cyclic and acyclic monoterpenes↗
DOE OSTI2024

Projecting Large Fires in the Western US With an Interpretable and Accurate Hybrid Machine Learning Method

More frequent and widespread large fires are occurring in the western United States (US), yet reliable methods for predicting these fires, particularly with extended lead times and a high spatial resolution, remain challenging. In this study, we proposed an interpretable and accurate hybrid machine learning (ML) model, that explicitly represented the controls of fuel flammability, fuel availability, and human suppression effects on fires. The model demonstrated notable accuracy with a F 1 -score of 0.846 ± 0.012, surpassing process-driven fire danger indices and four commonly used ML models by up to 40% and 9%, respectively. More importantly, the ML model showed remarkably higher interpretability relative to other ML models. Specifically, by demystifying the “black box” of each ML model using the explainable AI techniques, we identified substantial structural differences across ML fire models, even among those with similar accuracy. The relationships between fires and their drivers, identified by our model, were aligned closer with established fire physical principles. The ML structural discrepancy led to diverse fire predictions and our model predictions exhibited greater consistency with actual fire occurrence. With the highly interpretable and accurate model, we revealed the strong compound effects from multiple climate variables related to evaporative demand, energy release component, temperature, and wind speed, on the dynamics of large fires and megafires in the western US. Our findings highlight the importance of assessing the structural integrity of models in addition to their accuracy. They also underscore the critical need to address the rise in compound climate extremes linked to large wildfires.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Experimental Tests of Lateral Bedload Transport Induced by a Yawed Submerged Vane Array in Open-Channel Flows

This work proposes the use of an array of yawed porous vanes to control the lateral bedload transport by locally steering bedform migration and maximize the amount of sediments redirected toward a potential sediment extraction system or bypass channel. A laboratory experiment was conducted in a quasifield-scale channel with an array of permeable vanes installed on one side, in live-bed conditions under bedload dominant regime, i.e., negligible suspended load. A baseline experiment without vanes was also performed for comparison. The evolution of migrating bedforms of different scales was tracked in space and time using a high-resolution, state-of-the-art laser scanning device. The bedload transport rate in the streamwise direction was first calculated using bedforms’ geometry and migration velocity, and then spatially distributed over the entire monitored area using a new Eulerian-averaged grid-mapping method. This allowed us to introduce a new methodology to estimate the lateral bedload transport using control volume theory and applying mass conservation. Quantitative assessments of lateral bedload transport along the channel yield consistent results, suggesting that the vanes effectively move sediments laterally as intended. Under the investigated setup, the maximum lateral sediment transport rate ranges from 9% to 18% of the whole domain-averaged streamwise transport rate. The developed methodology also allowed to identify the location where sediment capture could be maximized for the given vane spatial distribution.

42 ENGINEERING↗
DOE OSTI2024

Design of a low frequency, density profile reflectometer system for the MAST-U spherical tokamak

Validated and accurate edge profiles (temperature, density, etc.) are vitally important to the Mega Ampere Spherical Tokamak Upgrade (MAST-U) divertor and confinement effort. Density profile reflectometry has the potential to significantly add to the measurement capabilities currently available on MAST-U (e.g., Thomson scattering and Langmuir probes). This work presents the diagnostic requirements, problems, and solutions facing profile reflectometry in spherical tokamaks and MAST-U in particular. Requirements include density measurements near zero electron density in the scrape off layer region, coverage for a broad range of MAST-U plasma parameters, high time (≤10 microseconds) and spatial resolutions (≤1 cm), reliability, and identification of the plasma start frequency.

Instruments & Instrumentation↗
DOE OSTI2024

Unraveling the adsorption-limited hydrogen oxidation reaction at palladium surface via in situ electron microscopy

Palladium (Pd) catalysts have been extensively studied for the direct synthesis of H 2 O through the hydrogen oxidation reaction at ambient conditions. This heterogeneous catalytic reaction not only holds considerable practical significance but also serves as a classical model for investigating fundamental mechanisms, including adsorption and reactions between adsorbates. Nonetheless, the governing mechanisms and kinetics of its intermediate reaction stages under varying gas conditions remain elusive. This is attributed to the intricate interplay between adsorption, atomic diffusion, and concurrent phase transformation of catalyst. Herein, the Pd-catalyzed, water-forming hydrogen oxidation is studied in situ, to investigate intermediate reaction stages via gas cell transmission electron microscopy. The dynamic behaviors of water generation, associated with reversible palladium hydride formation, are captured in real time with a nanoscale spatial resolution. Our findings suggest that the hydrogen oxidation rate catalyzed by Pd is significantly affected by the sequence in which gases are introduced. Through direct evidence of electron diffraction and density functional theory calculation, we demonstrate that the hydrogen oxidation rate is limited by precursors’ adsorption. These nanoscale insights help identify the optimal reaction conditions for Pd-catalyzed hydrogen oxidation, which has substantial implications for water production technologies. The developed understanding also advocates a broader exploration of analogous mechanisms in other metal-catalyzed reactions.

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

Development of a wide bandwidth heterodyne dispersion interferometer for electron density measurement of atmospheric pressure plasmas

One of the challenges of electron density measurements of an atmospheric pressure plasma (APP) with a laser interferometer is the significant and unwanted phase shift caused by changes in the neutral gas density. These unwanted phase shifts can be mitigated and plasma density measured using an interferometer architecture called a dispersion interferometer (DI). A DI is composed of two nonlinear orientation patterned GaAs crystals for frequency doubling and measures the phase shift induced by a plasma in the interference signal between two second-harmonic beams. Measurement of plasma dynamics or a short plasma pulse in less than a millisecond is enabled with heterodyne detection in a DI using an acousto-optic cell with a frequency of 40 MHz. This heterodyne DI (HDI) is targeted to measure APPs in an electron density range of 10 20 –10 24 m −3 . Finally, the HDI achieves a line-integrated density resolution of 2 × 10 15 m −2 (a phase resolution of 0.005°) with a time constant of 1 μs using ensemble averaging techniques.

atmospheric pressure plasma↗
DOE OSTI2024

Two-dimensional coherent spectrum of high-spin models via a quantum computing approach

Here in this work we present and benchmark a quantum computing approach to calculate the two-dimensional coherent spectrum (2DCS) of high-spin models. Our approach is based on simulating their real-time dynamics in the presence of several magnetic field pulses, which are spaced in time. We utilize the adaptive variational quantum dynamics simulation algorithm for the study due to its compact circuits, which enables simulations over sufficiently long times to achieve the required resolution in frequency space. Specifically, we consider an antiferromagnetic quantum spin model that incorporates Dzyaloshinskii-Moriya interactions and single-ion anisotropy. The obtained 2DCS spectra exhibit distinct peaks at multiples of the magnon frequency, arising from transitions between different eigenstates of the unperturbed Hamiltonian. By comparing the one-dimensional coherent spectrum with 2DCS, we demonstrate that 2DCS provides a higher resolution of the energy spectrum. We further investigate how the quantum resources scale with the magnitude of the spin using two different binary encodings of the high-spin operators: the standard binary encoding and the Gray code. At low magnetic fields both encodings require comparable quantum resources, but at larger field strengths the Gray code is advantageous. Numerical simulations for spin models with increasing number of sites indicate a polynomial system-size scaling for quantum resources. Lastly, we compare the numerical 2DCS with experimental results on a rare-earth orthoferrite system. The observed strength of the magnonic high-harmonic generation signals in the 2DCS of the quantum high-spin model aligns well with the experimental data, showing significant improvement over the corresponding mean-field results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

In Situ Liquid Electron Microscope Cells Strongly Attenuate Electrochemical Behavior

In situ electrochemical Scanning Transmission Electron Microscopy (ec-S/TEM) probes the dynamics of electrochemical processes in real time and at high spatial resolution. This method utilizes microfabricated electrochemical cells, with enclosed dimensions of 800 μm wide, 800 μm long, and 1–2 μm tall, with electron-transparent silicon nitride windows. Working, counter, and reference electrodes in the configuration studied are deposited Pt with a planar surface area of about 1 μm 2 and a height of 50 nm. The cell confines the electrolyte within a 1 μm tall channel, and the microfabricated electrodes have a non-standard geometry, are coplanar, and are not front-facing. As such, standard assumptions of electrochemical experiments do not apply. COMSOL modeling was used to compare and contrast differences in electrochemical behavior between conventional experimental setups and the in situ ec-S/TEM cells. Cell height strongly affected voltammogram measurements: peak magnitudes and shifts correlate directly to cell height. Reactant concentration above the electrode quickly decreases during deposition, leading to a planar diffusion-dominated regime. The concentration gradient prioritizes particle growth along the thin edges of the electrode and not on the planar part of the electrode. Experiments done in the ec-S/TEM ex situ of a TEM verify the model’s accuracy.

Wittman, Reed M. [Oak Ridge National Laboratory (O↗
DOE OSTI2026

Neutron-Antineutron Transition Search at DUNE

Neutron-antineutron transition is a baryon number violating process with ΔB=2, providing a unique insight into potential explanations of the baryon asymmetry in our universe, especially in the context of post-sphaleron baryogenesis. Studies have been conducted across various neutron-rich environments, including free neutron sources, neutron stars, and bound neutrons in large underground neutrino detectors, among which large neutrino experiments have historically obtained the most stringent constraints. The forthcoming Deep Underground Neutrino Experiment (DUNE) will offer especially strong prospects for this search, enabled by the high spatial resolution of its liquid argon time projection chamber. This poster presents a recent study on neutron-antineutron transition at DUNE using machine-learning based event classification.

Yu, Kaiwen [UC, Irvine (main)]↗
DOE OSTI2026

Wake-Resolving Acoustic Tomography: Advances through Numerical Covariance Methods

Acoustic tomography offers path-integrated measurements of atmospheric velocity and temperature fluctuations with high spatial resolution. Classical implementations of time-dependent stochastic inversion rely on homogeneous, isotropic covariance models that are poorly suited to the anisotropic structure of wind turbine wakes. By directly estimating heterogeneous covariances from large-eddy simulations (LESs) into the time-dependent stochastic inversion operator, we relax implicit assumptions in the analytical models used historically. Retrievals using these LES-informed models improve agreement with true fields in variance, turbulent kinetic energy, and spectral content compared to analytical and precursor-based covariance models. The results indicate that LES-informed covariance models can enhance the accuracy of acoustic tomography retrievals in complex, anisotropic flows such as wind turbine wakes in some cases and highlight instances where analytical models still offer competitive performance, despite their simplifying assumptions.

17 WIND ENERGY↗
DOE OSTI2024

Three Photon Excited Image Scanning Microscopy for in-Depth Super-Resolution Studies of Biological Samples

Multiphoton laser scanning microscopy is a powerful tool for deep imaging of thick biological samples. Image scanning microscopy (ISM) has demonstrated significant improvements in the signal-to-noise ratio in confocal laser scanning microscopy, while at the same time improving upon the effectively attainable resolution. Two-photon excitation (2PE), combined with ISM, has been shown to allow for deep tissue imaging with enhanced resolution compared to 2PE microscopy. Three-photon excitation (3PE) has enabled record imaging depth and contrast for multiphoton imaging, due to the superior suppression of out-of-focus signal generation. In this paper, we demonstrate super-resolution 3PE ISM. This is achieved using a single-photon avalanche detector array, and 1040-nm pulses for 3PE of blue fluorescence. This method enables subdiffraction limited resolution imaging of biological samples stained with blue fluorescent markers, such as mouse myocardial and spinal cord tissues stained with 4 ′ , 6 -diamidino-2-phenylindole. Deconvolution improves the resolving power further and allows for imaging with better than λ / 8 resolution with respect to the 3PE wavelength λ . With the ISM pixel reassignment procedure, we demonstrate a resolution enhancement of ∼ 1.6 laterally, compared to the resolution attained using a photomultiplier tube in a non-descanned detection arrangement, and a factor of ∼ 1.8 enhancement in axial resolution. The experimentally measured three-dimensional point spread function volume is shrunk ∼ 4.4 -fold, which is close to the theoretically expected enhancement. Published by the American Physical Society 2024

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

High-Density Polyethylene Custom Focusing Lenses for High-Resolution Transient Terahertz Biomedical Imaging Sensors

Transient terahertz time-domain spectroscopy (THz-TDS) imaging has emerged as a novel non-ionizing and noninvasive biomedical imaging modality, designed for the detection and characterization of a variety of tissue malignancies due to their high signal-to-noise ratio and submillimeter resolution. We report our design of a pair of aspheric focusing lenses using a commercially available lens-design software that resulted in about 200 × 200-μm2 focal spot size corresponding to the 1-THz frequency. The lenses are made of high-density polyethylene (HDPE) obtained using a lathe fabrication and are integrated into a THz-TDS system that includes low-temperature GaAs photoconductive antennae as both a THz emitter and detector. The system is used to generate high-resolution, two-dimensional (2D) images of formalin-fixed, paraffin-embedded murine pancreas tissue blocks. The performance of these focusing lenses is compared to the older system based on a pair of short-focal-length, hemispherical polytetrafluoroethylene (TeflonTM) lenses and is characterized using THz-domain measurements, resulting in 2D maps of the tissue refractive index and absorption coefficient as imaging markers. For a quantitative evaluation of the lens effect on the image resolution, we formulated a lateral resolution parameter, R2080, defined as the distance required for a 20–80% transition of the imaging marker from the bare paraffin region to the tissue region in the same image frame. The R2080 parameter clearly demonstrates the advantage of the HDPE lenses over TeflonTM lenses. The lens-design approach presented here can be successfully implemented in other THz-TDS setups with known THz emitter and detector specifications.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Enhanced read resolution in reconfigurable memristive synapses for Spiking Neural Networks

Abstract The synapse is a key element circuit in any memristor-based neuromorphic computing system. A memristor is a two-terminal analog memory device. Memristive synapses suffer from various challenges including high voltage, SET or RESET failure, and READ margin issues that can degrade the distinguishability of stored weights. Enhancing READ resolution is very important to improving the reliability of memristive synapses. Usually, the READ resolution is very small for a memristive synapse with a 4-bit data precision. This work considers a step-by-step analysis to enhance the READ current resolution or the read current difference between two resistance levels for a current-controlled memristor-based synapse. An empirical model is used to characterize the $${\hbox {HfO}}_{2}$$ HfO 2 based memristive device. $$1\textrm{st}$$ 1 st and $$2\textrm{nd}$$ 2 nd stage device of our proposed synapse design can be scaled to enhance the READ current margin up to $$\sim$$ ∼ 4.3 $$\times$$ × and $$\sim$$ ∼ 21%, respectively. Moreover, READ current resolution can be enhanced with run-time adaptation techniques such as READ voltage scaling and body biasing. The READ voltage scaling and body biasing can improve the READ current resolution by about 46% and 15%, respectively. TENNLab’s neuromorphic computing framework is leveraged to evaluate the effect of READ current resolution on classification, control, and reservoir computing applications. Higher READ current resolution shows better accuracy than lower resolution even when facing different levels of read noise.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

An efficient hybrid downscaling framework to estimate high-resolution river hydrodynamics

Flow depth and velocity are the most important hydrodynamic variables that govern various river functions, including water resources, navigation, sediment transport, and biogeochemical cycling. Existing high-resolution flow depth simulations rely on either computationally expensive river hydrodynamic models (RHMs) or data-driven models with formidable training costs, whereas data-driven modeling of flow velocity has rarely been explored. Here, using the hybrid Low-fidelity, Spatial analysis, and Gaussian process learning (LSG) model, we developed a downscaling approach to construct high-resolution flow depth and velocity from a two-dimensional (2-D) RHM simulation at coarse resolution. The LSG models were trained and tested in an urban watershed in Houston using two different hurricane-driven flood events. The high-resolution (as fine as 30 m resolution) and low-resolution (mostly 1000 m resolution) meshes include 664 724 and 14 536 grid cells, respectively. The results showed that through downscaling, the simulation errors were reduced to less than one-fourth and one-third of the errors of the low-resolution 2-D RHM for flow depth and velocity, respectively. Our analysis further revealed that the dominant uncertainty sources of the downscaled hydrodynamics are different, with flow velocity dominated by the dimensionality reduction error, which we reduced by using a regionalized training procedure. The downscaling approach achieves an 84-fold acceleration in computational time compared to the high-resolution 2-D RHM, making high-fidelity ensemble flood modeling feasible. More importantly, the developed method provides an opportunity to couple large-scale hydrodynamical processes with local physical, chemical, and biological processes in river models.

Tan, Zeli [Pacific Northwest National Laboratory (↗
DOE OSTI2025

Identifying Hot Spots and Hot Moments of Metabolic Activity in Salt Marsh Sediments through BONCAT-FISH Microscale Mapping (Final Technical Report)

Understanding the biogeography and timing of microbial metabolic activity is a key priority for microbial ecologists. With such knowledge, the cumulative biogeochemical contributions of microbial communities become more predictable, and our ability to both understand the effects of environmental change on microbial activity and build synthetic communities with desired functions will increase substantially. In this project, we advanced this broad, ambitious goal in two substantial ways: we developed a multiplexed Fluorescence In Situ Hybridization (FISH) approach that links microbial identity with metabolic function, and we established a novel Bio-Orthogonal Non-Canonical Amino acid Tagging (BONCAT) technique that can resolve the timing of anabolic activity, providing new resolution of when microbial constituents are growing. We deployed both of these techniques in multiple environmental settings to demonstrate their versatility. At the Little Sippewissett Salt Marsh, we combined a novel dual-BONCAT technique with fluorescence activated cell sorting to determine which population of cells was metabolically active during the day and which was active during the night. We found that Methylobacterium was active during daylight hours, potentially feeding on carbon-rich molecules released from plant roots. Sulfur-cycling microbes dominate the population active during the dark night-time hours. Overall, the work conducted under the auspices of this project developed two promising new techniques for identifying the “hot spots” and “hot moments” of microbial activity in complex communities with taxonomic and functional resolution. We focused largely on a salt marsh sediment context, but are confident that microbial ecologists seeking to understand the microbial role in biogeochemical cycles in a wide range of settings will find our newly developed techniques useful in future work.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

A Personal Journey in Nanoscience via Developing and Applying Liquid Phase TEM

Liquid phase TEM has attracted widespread attention in recent years as a groundbreaking tool to address various fundamental problems in nanoscience. It has provided the opportunity to reveal many unseen dynamic phenomena of nanoscale materials in solution processes by direct imaging through liquids with high spatial and temporal resolution. After my earlier work on real-time imaging of the nucleation, growth, and dynamic motion of nanoparticles in liquids by developing high-resolution liquid phase transmission electron microscopy (TEM) down to the sub-nanometer level, I established my own research group at Lawrence Berkeley National Lab in 2010. My group focuses on developing and applying liquid phase TEM to investigate complex systems and reactions. We have studied a set of scientific problems centered on understanding how atomic level heterogeneity and fluctuations at solid-liquid interfaces impact nanoscale materials transformations using advanced liquid phase TEM. This article describes my personal journey in nanoscience, highlighting the main discoveries of my research group using liquid phase TEM as a unique tool. Some perspectives on the impacts of liquid phase TEM and the future opportunities in nanoscience and nanotechnology enabled by liquid phase TEM are also included.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Dynamic regulation of water potential in Juniperus osteosperma mediates ecosystem carbon fluxes

Summary Some plants exhibit dynamic hydraulic regulation, in which the strictness of hydraulic regulation (i.e. iso/anisohydry) changes in response to environmental conditions. However, the environmental controls over iso/anisohydry and the implications of flexible hydraulic regulation for plant productivity remain unknown. InJuniperus osteosperma, a drought‐resistant dryland conifer, we collected a 5‐month growing season time series ofin situ, high temporal‐resolution plant water potential () and stand gross primary productivity (GPP). We quantified the stringency of hydraulic regulation associated with environmental covariates and evaluated how predawn water potential contributes to empirically predicting carbon uptake. Juniperus osteospermashowed less stringent hydraulic regulation (more anisohydric) after monsoon precipitation pulses, when soil moisture and atmospheric demand were high, and corresponded with GPP pulses. Predawn water potential matched the timing of GPP fluxes and improved estimates of GPP more strongly than soil and/or atmospheric moisture, notably resolving GPP underestimation before vegetation green‐up. Flexible hydraulic regulation appears to allowJ. osteospermato prolong soil water extraction and, therefore, the period of high carbon uptake following monsoon precipitation pulses. Water potential and its dynamic regulation may account for why process‐based and empirical models commonly underestimate the magnitude and temporal variability of dryland GPP.

Plant Sciences↗
DOE OSTI2025

Time-resolved chemically-selective spectroscopic investigation of the redox reaction between hematite and aluminium

Thermite reactions –highly energetic redox processes between a metal and an oxide—are used in welding, propulsion, and the fabrication of advanced materials. When reduced to the nanoscale, these reactions exhibit enhanced energetic performance, but their ultrafast dynamics remain poorly understood. Gaining insight into charge transfer during these processes is essential for advancing applications in energy conversion and materials design. Here we show that the reaction between aluminium and hematite, a common iron oxide, can be tracked with femtosecond resolution using extreme ultraviolet (EUV) time-resolved absorption spectroscopy at the Fe M 2,3 and Al L 2,3 edges. By exciting the system with an ultrashort optical pulse and probing element-specific absorption changes, we observe an early spectral shift that reveals the formation of localized charge carriers (polarons). Comparing samples with different supporting substrates highlights ultrafast electron transfer from aluminium to hematite. These results demonstrate an approach to investigating charge flow in energetic materials and provide a basis for studying fast chemical reactions with chemical specificity.

Electron transfer↗