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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 OSTI2025

The composition of gases from a diffusion flame above longleaf pine needle fuel beds

The gas and tar composition of a diffusion flame from longleaf pine needles is currently poorly understood and more data are needed to fill in the gap between pyrolysis data and smoke plume data, thus improving physical and chemical modeling of wildland smoke formation. A pilot experiment to measure light gas and tar composition of such a flame is described for three flame regions: persistent flame (flame base), intermittent flame, and smoke plume. Flame gases from 24 experimental fires were collected in canisters and analyzed using EPA method TO-14A for CO 2 , CO, H 2 , CH 4 , and C 2 to C 7 hydrocarbon gases. Condensed gas (tar) samples were collected and analyzed using GC/MS. Other light gases were measured using FTIR spectroscopy. Results from compositional data analysis suggest significant differences in (relative) concentration of compounds detected in the three regions of the flame. Statistical tests for differences in flame zones were performed using the canister data: Concentration of hydrocarbons relative to CO and CO 2 decreased from the persistent flame zone above the pyrolyzing needles through the intermittent flame region into the flame-free plume. This was likely due to both chemical reactions (oxidation) occurring in the flame as well as the introduction of air into the flame/plume by entrainment.

Biomass↗
DOE OSTI2020

Dicarboxylic acid emissions from a GDI engine equipped with a catalytic gasoline particulate filter

Dicarboxylic acids play an important role in atmospheric chemistry, yet their emissions from primary sources, such as internal combustion engines, has not been extensively studied. In this paper, KOH impregnated quartz filters were loaded with exhaust gases from a gasoline direct injection (GDI) engine equipped with a catalytic gasoline particulate filter (GPF). All filters were analyzed for carboxylic and dicarboxylic acids using a derivatized gas chromatography-mass spectroscopy method. Exhaust gas was sampled from pre-GPF and post-GPF locations to determine the performance of the GPF regarding acid conversion. Lean and stoichiometric engine modes were considered with non-oxygenated gasoline and 10% splash blended ethanol in gasoline (E10) to examine the impact of stoichiometry and fuel type. Acid emissions represented as much as 0.51% of total unburned hydrocarbon emissions for total monocarboxylic acids and as much as 0.40% for total dicarboxylic acids. Individual acid concentrations were as high as 38 mg/kg-fuel for monocarboxylic acids and as high as 29 mg/kg-fuel for dicarboxylic acids. Overall, the study found that fuel oxygenates had mixed impact on the acid emissions. Engine-out monocarboxylic acids were reduced when using the E10 fuel by approximately 30–45% for the stoichiometric condition and increased marginally for the lean condition. Dicarboxylic acid emissions were generally insensitive to ethanol content. However, the engine condition significantly affected the acid emissions. Lean operation produced a factor of two to an order of magnitude higher emissions rates of both monocarboxylic and dicarboxylic acids than the stoichiometric condition. The catalytic GPF eliminated between 80 and 92% of the acids emitted from the engine, allowing some acids to be emitted into the environment.

42 ENGINEERING↗
DOE OSTI2021

H 2 production in the 10 B(n,α) 7 Li reaction in water

Herein we demonstrate a method for measuring the H2 produced in water from the 10 B(n,α) 7 Li fission reaction. Low energy neutrons from the NIST Center for Neutron Research interact with borate-containing water in a temperature-controlled high pressure cell made from titanium. After exposure for one to several hours, the water is extracted and sparged with argon. H 2 entrained in the sparging gas is sampled with a small mass spectrometer. To determine the neutron exposure, a small amount of sodium is included in the borate solution. The water is collected and 24 Na activation is measured in a counting apparatus on the following day. The G-value for H 2 at room temperature is found to be (1.18 ± 0.10) molecules H 2 /100eV, in good agreement with previous estimates and recent modeling calculations.

10B↗
DOE OSTI2021

Efficiency analysis of helium-cooled MAS DNP: case studies of surface-modified nanoparticles and homogeneous small-molecule solutions

Despite the growing number of successful applications of dynamic nuclear polarization (DNP)-enhanced magic-angle spinning (MAS) NMR in structural biology and materials science, the nuclear polarizations achieved by current MAS DNP instrumentation are still considerably lower than the theoretical maximum. Here, the method could be significantly strengthened if experiments were performed at temperatures much lower than those currently widely used (~100 K). Recently, the prospects of helium (He)-cooled MAS DNP have been increased with the instrumental developments in MAS technology that uses cold helium gas for sample cooling. Despite the additional gains in sensitivity that have been observed with He-cooled MAS DNP, the performance of the technique has not been evaluated in the case of surfaces and interfaces that benefit the most from DNP. Herein, we studied the efficiency of DNP at temperatures between ~30 K and ~100 K for organically functionalized silica material and a homogeneous solution of small organic molecules at a magnetic field B 0 = 16.4 T. We recorded the changes in signal enhancement, paramagnet-induced quenching and depolarization effects, DNP build-up rate, and Boltzmann polarization. For these samples, the increases in MAS-induced depolarization and DNP build-up times at around 30 K were not as severe as anticipated. In the case of the surface species, we determined that MAS DNP at 30 K provided ~10 times higher sensitivity than MAS DNP at 90 K, which corresponds to the acceleration of experiments by multiplicative factors of up to 100.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Relativistic ultrafast electron diffraction at high repetition rates

The ability to resolve the dynamics of matter on its native temporal and spatial scales constitutes a key challenge and convergent theme across chemistry, biology, and materials science. The last couple of decades have witnessed ultrafast electron diffraction (UED) emerge as one of the forefront techniques with the sensitivity to resolve atomic motions. Increasingly sophisticated UED instruments are being developed that are aimed at increasing the beam brightness in order to observe structural signatures, but so far they have been limited to low average current beams. Here, we present the technical design and capabilities of the HiRES (High Repetition-rate Electron Scattering) instrument, which blends relativistic electrons and high repetition rates to achieve orders of magnitude improvement in average beam current compared to the existing state-of-the-art instruments. The setup utilizes a novel electron source to deliver femtosecond duration electron pulses at up to MHz repetition rates for UED experiments. Instrument response function of sub-500 fs is demonstrated with < 100 fs time resolution targeted in future. We provide example cases of diffraction measurements on solid-state and gas-phase samples, including both micro- and nanodiffraction (featuring 100 nm beam size) modes, which showcase the potential of the instrument for novel UED experiments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Amplified spontaneous emission in the extreme ultraviolet by expanding xenon clusters

Focused short-wavelength free-electron laser (FEL) pulses interacting with gas phase samples can induce by inner-shell ionization a short-lived population inversion, followed by coherent collective emission of directed, short, and strong radiation bursts. We extend our studies into the warm-dense matter (WDM) regime by investigating the nanoplasmas produced in an ensemble of nanometer-sized clusters by FEL irradiation. Here, additional pathways can also lead to strong, laserlike emission: Electron-ion collisions can yield a long-lived population inversion, and subsequent amplified spontaneous emission. We observe amplified spontaneous emission (ASE) in the extreme ultraviolet in xenon clusters excited by soft x-ray FEL pulses, we diagnose the generated nanoplasmas by fluorescence spectroscopy, and we study under various cluster and FEL parameters the directed ASE from the Xe 2+ 65 nm line. We show its exponential increase as a function of FEL irradiation power, and an accompanying collisional broadening of the emission spectra. These findings are corroborated by extensive numerical simulations based on theory, combining detailed hydrodynamic and kinetic simulations with time-dependent calculations of radiation transport, amplification, and collective emission in the WDM nanoplasma. Furthermore, our theoretical findings underline that population inversion is due to electron-ion collisions and that the observed decoherence processes can be empirically characterized by a phenomenological decoherence time in the range of 100–200 fs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Ultrafast electron diffraction: Visualizing dynamic states of matter

Since the discovery of electron-wave duality, electron scattering instrumentation has developed into a powerful array of techniques for revealing the atomic structure of matter. Beyond detecting local lattice variations in equilibrium structures with the highest possible spatial resolution, recent research efforts have been directed toward the long-sought-after dream of visualizing the dynamic evolution of matter in real time. The atomic behavior at ultrafast timescales carries critical information on phase transition and chemical reaction dynamics, the coupling of electronic and nuclear degrees of freedom in materials and molecules, and the correlation among structure, function, and previously hidden metastable or nonequilibrium states of matter. Ultrafast electron pulses play an essential role in this scientific endeavor, and their generation has been facilitated by rapid technical advances in both ultrafast laser and particle accelerator technologies. Here this review presents a summary of the noteworthy developments in this field in the last few decades. The physics and technology of ultrafast electron beams is presented with an emphasis on the figures of merit most relevant for ultrafast electron diffraction experiments. Recent developments in the generation, manipulation, and characterization of ultrashort electron beams aimed at improving the combined spatiotemporal resolution of these measurements are discussed. The fundamentals of electron scattering from atomic matter and the theoretical frameworks for retrieving dynamic structural information from solid-state and gas-phase samples is described. Essential experimental techniques and several landmark works that have applied these approaches are also highlighted to demonstrate the widening applicability of these methods. Ultrafast electron probes with ever-improving capabilities, combined with other complementary photon-based or spectroscopic approaches, hold tremendous potential for revolutionizing our ability to observe and understand energy and matter at atomic scales.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Formation of Organic Compounds Through Meteoritic Atmospheric Shock

This document is a Final Technical Report for DoE award DE-SC0023375 “Formation of Organic Compounds Through Meteoritic Atmospheric Shock”. The document includes a summary of topics studied, specific tasks completed, challenges, and results from the project. The main goal of this project was to investigate the production of organic molecules and/or complex inorganic precursor molecules in a plasma environment reminiscent of the environment surrounding meteoroids during atmospheric entries. The specific hypothesis tested in this project was that meteoroid ablation during the entry and the chemical reactions in the meteoroid plasma tail could have produced significant amounts of organics or precursor inorganics in the Early Earth’s atmosphere. Investigation of these processes is essential in understanding the origins of life on Earth and the search for life beyond our planet. This project was focused on a set of experiments conducted at the Utilizing the DIII-D tokamak in San Diego, CA. The experiments aimed to study the interaction of carbonaceous and silica materials (typically found in meteoroids) with mixtures of hot plasma gases (mimicking atmospheric entry conditions. The material samples and gas mixtures were selected to investigate the synthesis of the organic compound urea – a key ingredient in the origin of life – or one of its precursor, the complex inorganic compound ammonia.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Improvements in the Sample Space for the Backscattering Silicon Spectrometer (BASIS)

The increase in neutron flux at the Oak Ridge National Laboratory (ORNL) Spallation Neutron Source (SNS), currently operating at 2.0 MW proton beam power, has created new opportunities for higher-throughput neutron scattering experiments while also increasing the importance of minimizing background scattering and optimizing sample-environment operations. To address these challenges on the Backscattering Silicon Spectrometer (BA-SIS), several upgrades were developed and evaluated, including boron carbide (B₄C) masking for flat-plate sample containers, multi-cell sample holders used with a vertically translating sample stick, and an automated helium pump and purge (HPP) system for closed-cycle refrigerators. Neutron diffraction measurements demonstrate that B₄C masks reduce background scattering by 49–67%, outperforming both borated aluminum and boron nitride masks while introducing no additional Bragg reflections within the instrument’s accessible Q-range. Commissioning tests of a double-cell flat-plate sample contain-er showed no measurable crosstalk between adjacent sample compartments and con-firmed stable thermal performance, enabling multiple samples to be measured without re-peated temperature cycling. In addition, the automated HPP system provided reproducible sample-space gas handling with approximately ±1 mbar precision while reducing the need for operator intervention and supporting remote operation. Together, these developments improve signal-to-noise performance, increase experimental throughput, and enhance operational efficiency at BASIS, supporting the instrument’s continued operation under higher neutron flux conditions.

Jalarvo, Niina [ORNL] (ORCID:0000000306446866)↗
DOE OSTI2021

SO3/H2SO4 continuous real-time sensor demonstration at a power plant

We present results from field testing of a new, innovative sensor developed to measure SO3/H2SO4 continuously and in real time at a coal-fired power plant. The system utilizes the sensitivity, specificity, and real-time capabilities of mid-infrared (Mid-IR) laser-based sensor technology, along with a heated, close-coupled cell mounted directly to a power plant duct. Measurements were made by the laser sensor over a 2-day period and compared to results from the accepted method, EPA 8A, which requires a 30-minute collection, labor intensive processing, and off-site analysis at a lab. In contrast to the condensation method, the laser sensor continuously samples flue gas and reports measurements of the concentration of SO3/H2SO4, SO2 ever second with unattended operation. This initial demonstration proved the sensor concept and paves the way for its use for optimizing sorbent injection used to neutralize SO3/H2SO4. Optimized sorbent injection will enable significant cost savings associated with efforts to mitigate the presence and effects of SO3/H2SO4 such as “Blue Plume”, air heater fouling, and duct corrosion. In particular, the real-time, actionable information will enable better control of additive injection in flex conditions and variable fuels.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2020

X-ray Phase Contrast Imaging of the Impact of Multiple HMX Particles in a Polymeric Matrix

The initiation of high explosives (HEs) under shock loading lacks a comprehensive understanding: particularly at the particle scale. One common explanation is the hot spot theory, which suggests that energy in the material resulting from the impact event is localized in a small area causing an increase in temperature that can lead to ignition. This study focuses on the response of HMX particles (a common HE) within a polymer matrix (Sylgard-184 (R)), a simplified example of a polymer-bound explosive (PBX). These PBXs consist of multiple HMX particles in a single polymer-bound sample. A light gas gun was used to load the samples at impact velocities above 400 m/s. The impact events were visualized using X-ray phase-contrast imaging (PCI) allowing real-time observation of the impact event. The experiment used two different types of samples (multi-particle and two crystals) and found evidence of cracking and debonding in both sample types. Additionally, it was found that the multiple particle samples showed similar evidence of damage at lower velocities than that of single particle samples. This is an expected result as the multiple particles add additional interfaces for stress concentration and frictional heating.

42 ENGINEERING↗
DOE OSTI2021

Analysis of Organoiodide Adsorption Mechanisms

If the United States were to engage in the reprocessing of used nuclear fuel, radioactive iodine must be removed from multiple plant off-gas streams to comply with governing regulations. One of these streams is the vessel off-gas (VOG), which arises from the separations process and is expected to contain iodine in primarily organic iodine forms and at parts-per-billion concentrations. The relative lack of knowledge surrounding organic iodine removal from the VOG prompted the US Department of Energy’s Office of Nuclear Energy to initiate experimental efforts targeted at understanding organic iodide removal from prototypic VOG streams. At Oak Ridge National Laboratory (ORNL), this effort has focused on developing a comprehensive understanding of iodine removal from VOG streams by using silver-based sorbents. An important aspect of this testing is developing an understanding of how the sorption of methyl iodide (CH 3 I), the most studied organic iodide species to date, compares with the sorption of other volatile organic iodide species potentially present in the VOG. The work presented here reflects initial testing that will continue to be developed, and final results will be incorporated into an end-of-year report that details a multiyear testing campaign designed to understand iodine mitigation from VOG streams. The goal of these experiments was to determine whether similar reaction pathways govern both CH 3 I and iodobutane (C 4 H 9 I) sorption onto silver mordenite (AgZ), a common silver-based iodine sorbent. More specifically, the authors hypothesized that the sorption of C 4 H 9 I by AgZ will result in the formation of butanol (C 4 H9OH). Effluent monitoring of CH 3 I sorption testing has confirmed methanol production, but analogous monitoring of effluents from C 4 H 9 I sorption studies has not been performed. A series of tests was completed to test this hypothesis with the aim of detecting C 4 H 9 OH downstream of the AgZ bed. Test conditions varied the bed depth, gas stream humidity, and bed temperature post sorption. The effluent gas stream downstream of the AgZ bed was sampled by using gas-tight syringes, and these samples were analyzed by a gas chromatograph coupled to a mass spectrometer. Thin bed C 4 H 9 I tests conducted at -65 and 0°C dew points did not result in C 4 H 9 OH detection in the effluent. This suggests that the sorption mechanism and subsequent reactions could be different from those observed for CH 3 I. The sorption testing continues; additional results will be included in final end-of-year report and will increase the fundamental understanding of organic iodide sorption by AgZ from VOG streams.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Evaluation of subsurface transport processes of delayed gas signatures applicable to underground nuclear explosions

Radioactive gas signatures from underground nuclear explosions (UNEs) result from gas-migration processes occurring in the subsurface. The processes considered in this study either drive or retard upward migration of gases from the detonation cavity. The relative importance of these processes is evaluated by simulating subsurface transport in a dual-permeability medium for the multi-tracer Noble Gas Migration Experiment (NGME) originally intended to study some aspects of transport from a UNE. For this experiment, relevant driving processes include weak two-phase convection driven by the geothermal gradient, over pressuring of the detonation cavity, and barometric pumping while gas sorption, dissolution, radioactive decay, and usually diffusion represent retarding processes. From deterministic simulations we found that over-pressuring of the post-detonation chimney coupled with barometric pumping produced a synergistic effect amplifying the tracer-gas reaching the surface. Bounding simulations indicated that the sorption and dissolution of gases, tending to retard transport, were much smaller than anticipated by earlier laboratory studies. The NGME observations themselves show that differences in gas diffusivity have a larger effect on influencing upward transport than do the combined effects of tracer-gas sorption and dissolution, which is consistent with a Sobol’ sensitivity analysis. Both deterministic simulations and those considering parametric uncertainties of transport-related properties predict that the excess in concentration of SF 6 compared to 127 Xe as might be captured in small volumetric samples should be much smaller than the order-of-magnitude contrast found in the large-volume gas samples taken at the site. While extraction of large-volume subsurface gas samples is shown to be capable of distorting in situ gas compositions, the highly variable injection rate of SF 6 into the detonation cavity relative to that of 127 Xe at the start of the field experiment is the most likely explanation for the large difference in observed concentrations.

58 GEOSCIENCES↗