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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Multiport high-pressure synchrotron x-ray microscopy cell (CRADA Final Report)

The LBNL team developed a multiport cell allowing for fluid flow, with electrical contacts for sample bias, and with reference electrodes. The cell is currently installed and operating in beam-line 11.0.2 of the ALS, the Berkeley Synchrotron. The cell is closed by a membrane consisting of several stacked layers of graphene (1 to 3). The graphene membrane is supported on a 100 nm thick Si3N4 membrane covered with a 20 nm thin gold film for improved adhesion of the graphene and to ensure electrical conductivity. The Si3N4 film is perforated with a periodic array of holes 1 to 2 micrometers diameter. The cell can withhold an internal pressure (gas or liquid) of up to 10 atmospheres for in situ/operando studies using X-ray Photoelectron emission (XPS), and X-ray Absorption Spectroscopy (XAS). It is also ideal for tip-enhanced nano-Infrared Spectroscopy studies of molecules at the interface between the graphene and the liquid or gas filling the cell. Materials studied in the LBNL laboratory are in the form of nanoparticles, or thin films (few nm) deposited on the side of the graphene membrane facing the solution or gas inside the cell.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Airborne flux measurements of ammonia over the southern Great Plains using chemical ionization mass spectrometry

Abstract. Ammonia (NH3) is an abundant trace gas in the atmosphere and an important player in atmospheric chemistry, aerosol formation and the atmosphere–surface exchange of nitrogen. The accurate determination of NH3 emission rates remains a challenge, partly due to the propensity of NH3 to interact with instrument surfaces, leading to high detection limits and slow response times. In this paper, we present a new method for quantifying ambient NH3, using chemical ionization mass spectrometry (CIMS) with deuterated benzene cations as reagents. The setup aimed at limiting sample–surface interactions and achieved a 1σ precision of 10–20 pptv and an immediate 1/e response rate of < 0.4 s, which compares favorably to the existing state of the art. The sensitivity exhibited an inverse humidity dependence, in particular in relatively dry conditions. Background of up to 10 % of the total signal required consideration as well, as it responded on the order of a few minutes. To showcase the method's capabilities, we quantified NH3 mixing ratios from measurements obtained during deployment on a Gulfstream I aircraft during the HI-SCALE (Holistic Interactions of Shallow Clouds, Aerosols, and Land-Ecosystems) field campaign in rural Oklahoma during May 2016. Typical mixing ratios were 1–10 parts per billion by volume (ppbv) for the boundary layer and 0.1–1 ppbv in the lower free troposphere. Sharp plumes of up to tens of ppbv of NH3 were encountered as well. We identified two of their sources as a large fertilizer plant and a cattle farm, and our mixing ratio measurements yielded upper bounds of 350 ± 50 and 0.6 kg NH3 h−1 for their respective momentary source rates. The fast response of the CIMS also allowed us to derive vertical NH3 fluxes within the turbulent boundary layer via eddy covariance, for which we chiefly used the continuous wavelet transform technique. As expected for a region dominated by agriculture, we observed predominantly upward fluxes, implying net NH3 emissions from the surface. The corresponding analysis focused on the most suitable flight, which contained two straight-and-level legs at ∼ 300 m above ground. We derived NH3 fluxes between 1 and 11 mol km−2 h−1 for these legs, at an effective spatial resolution of 1–2 km. The analysis demonstrated how flux measurements benefit from suitably arranged flight tracks with sufficiently long straight-and-level legs, and it explores the detrimental effect of measurement discontinuities. Following flux footprint estimations, comparison to the NH3 area emissions inventory provided by the U.S. Environmental Protection Agency indicated overall agreement but also the absence of some sources, for instance the identified cattle farm. Our study concludes that high-precision CIMS measurements are a powerful tool for in situ measurements of ambient NH3 mixing ratios, and even allow for the airborne mapping of the air–surface exchange of NH3.

58 GEOSCIENCES↗
DOE OSTI2022

Third international challenge to model the medium- to long-range transport of radioxenon to four Comprehensive Nuclear-Test-Ban Treaty monitoring stations

In 2015 and 2016, atmospheric transport modeling challenges were conducted in the context of the Comprehensive Nuclear-Test-Ban Treaty (CTBT) verification, however, with a more limited scope with respect to emission inventories, simulation period and number of relevant samples (i.e., those above the Minimum Detectable Concentration (MDC)) involved. Therefore, a more comprehensive atmospheric transport modeling challenge was organized in 2019. Stack release data of Xe-133 were provided by the Institut National des Radioéléments/IRE (Belgium) and the Canadian Nuclear Laboratories/CNL (Canada) and accounted for in the simulations over a three (mandatory) or six (optional) months period. Best estimate emissions of additional facilities (radiopharmaceutical production and nuclear research facilities, commercial reactors or relevant research reactors) of the Northern Hemisphere were included as well. Model results were compared with observed atmospheric activity concentrations at four International Monitoring System (IMS) stations located in Europe and North America with overall considerable influence of IRE and/or CNL emissions for evaluation of the participants’ runs. Participants were prompted to work with controlled and harmonized model set-ups to make runs more comparable, but also to increase diversity. It was found that using the stack emissions of IRE and CNL with daily resolution does not lead to better results than disaggregating annual emissions of these two facilities taken from the literature if an overall score for all stations covering all valid observed samples is considered. A moderate benefit of roughly 10% is visible in statistical scores for samples influenced by IRE and/or CNL to at least 50% and there can be considerable benefit for individual samples. Effects of transport errors, not properly characterized remaining emitters and long IMS sampling times (12–24 h) undoubtedly are in contrast to and reduce the benefit of high-quality IRE and CNL stack data. Complementary best estimates for remaining emitters push the scores up by 18% compared to just considering IRE and CNL emissions alone. Despite the efforts undertaken the full multi-model ensemble built is highly redundant. An ensemble based on a few arbitrary runs is sufficient to model the Xe-133 background at the stations investigated. The effective ensemble size is below five. An optimized ensemble at each station has on average slightly higher skill compared to the full ensemble. However, the improvement (maximum of 20% and minimum of 3% in RMSE) in skill is likely being too small for being exploited for an independent period.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

National‐Scale Assessment of Total Gaseous Mercury Isotopes Across the United States

Abstract With the 2011 promulgation of the Mercury and Air Toxics Standards by the U.S. Environmental Protection Agency, and the successful negotiation by the United Nations Environment Program of the Minamata Convention, emissions of mercury (Hg) have declined in the United States. While the declines in atmospheric Hg concentrations in North America are encouraging, linking the declines to changing domestic and global source portfolios remains challenging. To address these research gaps, the U.S. Geological Survey initiated the first national‐scale effort to establish a baseline of total gaseous mercury stable isotope values at 31 sites distributed across the United States. Results indicated that unique Hg sources, such as Hg evasion from an elemental Hg contaminated site or free tropospheric intrusions in high altitude sites, were distinguishable from background atmospheric values. Minor gradients were observed across the nation, with regions of heavy industrial activity demonstrating lower δ 202 Hg, but no consistent changes in other isotopes such as Δ 199 Hg and Δ 200 Hg were observed. Furthermore, δ 202 Hg was impacted by foliar uptake and senescence but trends varied between forested regions in the northeastern and midwestern United States. These data demonstrate regional emission sources and other environmental variables can impact total gaseous Hg (TGM) isotope values, highlighting the need to characterize atmospheric Hg isotopes over larger geographical areas to evaluate changes related to national and international Hg regulations.

Tate, Michael T.↗
DOE OSTI2025

The Remarkable I 2 O 3 Molecule: A New View from Theory

Atmospheric iodine chemistry has garnered increasing attention as a result of increased iodine emissions. A key subset of this chemistry involves iodine oxides (I 2 O 2–5 ), which serve as precursors to particle formation. Among these, I 2 O 3 is the simplest iodine oxide involved in particle formation, but it has remained undetected in the atmosphere. Previous theoretical studies have characterized this peculiar molecule, primarily using energies to refine geometries obtained at low levels of theory. Due to the reemerging interest in I 2 O 3 , this study presents geometries optimized at the CCSD(T)/aug-cc-pwCVTZ-PP level of theory─marking the first instance, to the best of our knowledge, where this system has been studied exclusively with CCSD(T). Harmonic vibrational frequencies were computed at the same level of theory. Final energetics were obtained using the very high level CCSDT(Q) method with basis sets up to quintuple-zeta cardinality (aug-cc-pwCV5Z-PP) and extrapolated to the CBS limit to yield CCSDT(Q)/CBS//CCSD(T)/aug-cc-pwCVTZ-PP energies. These energies include harmonic zero-point vibrational energy corrections and scalar relativistic energy corrections. Additionally, this study discovers new isomers along the I 2 O 3 potential energy surface, a novel contribution to the field. The performance of different computational methods and DFT functionals commonly used in atmospheric chemistry is also assessed relative to high-level theoretical methods.

basis sets↗
DOE OSTI2022

Membrane Carbonation for 100% Efficient Delivery of Industrial CO 2 Gases

Industrial processes generate about one quarter of all greenhouse gases emissions in the US, about 80% of which is carbon dioxide (CO 2 ). Biological processes are one of the largest natural sinks for atmospheric CO 2 , but the rate of capture is limited by the low concentration in air (~0.04%). Industrial emissions have significantly higher CO 2 concentrations, ranging from 5–80% CO 2 , which can significantly increase the rate of biological CO 2 capture, including many-fold improvements for cultivating microalgae to produce food, fertilizer, and renewable fuel. However, traditional methods for delivering CO 2 to microalgae using bubbling is < 40% efficient, leading to significant residual CO 2 emissions and increased cost. This project developed the Membrane Carbonation (MC) technology to significantly improve the CO 2 delivery efficiency to microalgae from power plant flue gas, wastewater treatment plant anaerobic digesters biogas (Figure 1), and other CO 2 -containing industrial sources.

09 BIOMASS FUELS↗
DOE OSTI2020

Atmospheric Escape From TOI-700 d: Venus versus Earth Analogs

The recent discovery of an Earth-sized planet (TOI-700 d) in the habitable zone of an early-type M-dwarf by the Transiting Exoplanet Survey Satellite constitutes an important advance. In this Letter, we assess the feasibility of this planet to retain an atmosphere – one of the chief ingredients for surface habitability – over long timescales by employing state-of-the-art magnetohydrodynamic models to simulate the stellar wind and the associated rates of atmospheric escape. We take two major factors into consideration, namely, the planetary atmospheric composition and magnetic field. In all cases, we determine that the atmospheric ion escape rates are potentially a few orders of magnitude higher than the inner Solar system planets, but TOI-700 d is nevertheless capable of retaining a 1 bar atmosphere over gigayear timescales for certain regions of the parameter space. The simulations show that the unmagnetized TOI-700 d with a 1 bar Earth-like atmosphere could be stripped away rather quickly (< 1 gigayear), while the unmagnetized TOI-700 d with a 1 bar CO 2 -dominated atmosphere could persist for many billions of years; we find that the magnetized Earth-like case falls in between these two scenarios. We also discuss the prospects for detecting radio emission of the planet (thereby constraining its magnetic field) and discerning the presence of an atmosphere.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Spatiotemporal characterization of cerium monoxide in laser ablation plasmas using spectrally-resolved fast-gated imaging

The impact of oxidation chemistry on the emission characteristics and spatial structure of laser-produced Ce metal plasmas was investigated using laser-induced breakdown spectroscopy (LIBS) and time-resolved fast-gated imaging employing narrowband optical filters. Images of the plasma emission show that CeO coexists with atomic species in the periphery and vortex ring of the plasma plume. Image processing was also applied to combine independent monochromatic images of the plasma emission into a single merged image, culminating in a timelapse on the spatiotemporal evolution of atomic and molecular species within the plasma plume. The formation of CeO species was observed to proceed faster for plasmas generated in atmospheres containing larger concentrations of oxygen based on ratios of CeO-to-atomic emission intensities. Furthermore, these same ratios were shown to plateau and decrease at later times (≥25 μs), potentially indicating the depletion of CeO number densities in the plasma as the monoxide undergoes reactions to form higher polyatomic oxides. Altogether, these results provide fundamental insights into the chemical dynamics and intermixing between plasma-gas species in laser ablation cerium plasmas, advancing our understanding on optical signatures of nuclear-relevant materials to enable in-field measurement capabilities.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Design, Analysis, and Experimental Testing of Hydrogen Lean Direct Injection Nozzles at Elevated Pressure

Abstract There are many challenges of commissioning a hydrogen combustor into future gas turbine engines; especially regarding achieving emissions goals. Previously, Escudero et al. and Tran et al. conducted a study to adapt the liquid fuel Lean Direct Injection (LDI) concept from Jet-A to gaseous natural gas-hydrogen blends and pure hydrogen [1], [2]. Experimental data was collected at atmospheric conditions using a Box Behnken design of experiments. The design of experiments suggested that biasing the air split in favor of the inner air circuit and increasing the swirl strength of this inner air passage resulted in improved NOx emissions, while the inverse was true for stability, which was quantified by studying the lean blowoff point (LBO) [1], [2]. The trends revealed by the original experiment [1], [2] provided a design direction for further iterations of the experimental hardware. The study presented herein describes the further investigation of such LDI injectors through experimental methods and computational fluid dynamic (CFD) simulations at atmospheric conditions, which were used to identify potential flow behaviors driving enhanced emissions performance. Further evaluation of select injectors from both studies was then conducted at elevated pressures up to 6 atmospheres. The results from both experiments are presented in this study, which include flame observations, emissions measurements, and operational challenges. NOx emissions results are reported on a volume basis in ppmvd corrected to 15% O2 and corrected for fuel. A predictive model for relating NOx emissions to test conditions at atmospheric conditions show high significance to adiabatic flame temperature while little to no significance to fuel composition for the best performing configurations. The results illustrate the connection between atmospheric testing and testing elevated pressures. The design direction indicated by the initial tests and CFD results in promising configurations for implementation into a Multi-point LDI array.

08 HYDROGEN↗
DOE OSTI2023

Initial Systems-Level Assessment of a Distributed Direct Air Capture System Concept at the Urban-scale (UrbanDAC)

Direct Air Capture (DAC) systems offer a promising solution for mitigating global carbon emissions by directly removing ambient carbon dioxide (CO 2 ) from the atmosphere. While future DAC facilities are typically envisioned as being large and centralized, small-scale systems present an alternative approach with advantages such as adaptability and lower uptake costs. By harnessing waste heat from the built environment, such small-scale systems become distributed DAC at the urban scale (UrbanDAC) that benefit from existing urban infrastructure, while presenting challenges such as identifying eligible buildings and sustainable transportation and storage of captured CO 2 . Collaborating with engineering experts and developers of a DAC unit that can be co-located with cooling towers of existing commercial buildings, this study explores the systems-level implications of UrbanDAC using a geographically explicit multi-decision criteria analysis (MCDA) framework. By considering various infrastructure and environmental factors, network analysis and geospatial techniques are applied to identify optimal building candidates for distributed DAC units within Knoxville, Tennessee, USA, as a representative mid-size city. The selected outputs of the MCDA are used to explore a scenario that assumes a CO 2 collection and transport route for 20 high-ranking candidate buildings; total carbon emissions, EV energy consumption, and net carbon dioxide removal (CDR) are then calculated. Results suggest that the spatial variation of optimal candidates between thriving commercial areas is an important planning consideration. Examining the feasibility of UrbanDAC at an urban planning level provides valuable insights into the barriers and enabling conditions for CDR in cities, where the vast majority of CO 2 emissions are produced, and supports decision-making processes for the implementation of decarbonization initiatives. Through this initial assessment, this research acts as a pilot study for an emerging technology that highlights the importance of distributed DAC technologies in addressing climate change and emphasizes the need for further research and exploration in this domain.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Black Carbon Deposited in Hariqin Glacier of the Central Tibetan Plateau Record Changes in the Emission from Eurasia

Black carbon (BC), by the combustion of fossil fuels and biomass, has profound effects on climate change and glacier retreat in industrial eras. In the present study, we report refractory BC (rBC) in an ice core spanning 1850–2014, retrieved from the Hariqin Glacier of the Tanggula Mountains in the central Tibetan Plateau, measured using a single particle soot photometer (SP2). The rBC concentration shows a three-fold increase since the 1950s. The mean rBC concentration was 0.71±0.52 ng mL-1 during 1850s–1940s and 2.11±1.60 ng mL-1 during 1950s–2010s. The substantial increase in rBC since the 1950s is consistent with rBC ice core records from the Tibetan Plateau and Eastern Europe. According to the predominant atmospheric circulation patterns over the glacier and timing of changes in regional emissions, the post-1950 amplification of rBC concentration in the central Tibetan Plateau most likely reflects increases in emissions in Eastern Europe, former USSR, the Middle East, and South Asia. Despite the low-level background rBC concentrations in the ice cores from the Tibetan Plateau, the present study highlights a remarkable increase in anthropogenic BC emissions in recent decades and the consequent influence on glaciers in the Tibetan Plateau.

Black carbon, Ice core, Tibetan Plateau, Industria↗
DOE OSTI2020

Zonal-Based Emission Source Term Model for Predicting Particulate Emission Factors in Wildfire Simulations

A physics/chemistry-based numerical model for predicting the emission of fine particles from wildfires is proposed. This model implements the fundamental mechanisms of soot formation in a combustion environment: soot nucleation, surface growth, agglomeration, oxidation, and particle fragmentation. These mechanisms occur on a scale too fine for the discretization of most wildfire models, which need to simulate landscape-scale dynamics. As a result this model implements a zonal approach, where the computed soot particle distribution is partitioned into process zones within a single resolved grid cell. These process zones include: an inception zone (for nucleation), a heating zone (for coagulation, surface growth, and fragmentation), a reaction zone (for oxidation), and a quenched zone (for atmospheric processes). Governing mechanisms are applied to the appropriate zones to predict total particle growth and emission. Additionally, the proposed model is implemented into HIGRAD/FIRETEC, a physics-based wildfire simulation code which couples interactions between fire, fuels, atmosphere, and topography on a landscape scale. Fire simulations among grasslands and conifer forests are performed and compared against experimental data for emission factors.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Detection of the Crab Nebula with the 9.7 m prototype Schwarzschild-Couder telescope

The Schwarzschild-Couder Telescope (SCT) is a telescope concept proposed for the Cherenkov Telescope Array. It employs a dual-mirror optical design to remove comatic aberrations over an 8° field of view, and a high-density silicon photomultiplier camera (with a pixel resolution of 4 arcmin) to record Cherenkov emission from cosmic ray and gamma-ray initiated particle cascades in the atmosphere. Additionally, the prototype SCT (pSCT), comprising a 9.7 m diameter primary mirror and a partially instrumented camera with 1536 pixels, has been constructed at the Fred Lawrence Whipple Observatory. The telescope was inaugurated in January 2019, with commissioning continuing throughout 2019. We describe the first campaign of observations with the pSCT, conducted in January and February of 2020, and demonstrate the detection of gamma-ray emission from the Crab Nebula with a statistical significance of 8.6σ.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Modeling Isoprene Emission Response to Drought and Heatwaves Within MEGAN Using Evapotranspiration Data and by Coupling With the Community Land Model

We introduce two new drought stress algorithms designed to simulate isoprene emission with the Model of Emissions of Gases and Aerosols from Nature (MEGAN) model. The two approaches include the representation of the impact of drought on isoprene emission with a simple empirical approach for offline MEGAN applications and a more process-based approach for online MEGAN in Community Land Model (CLM) simulations. The two versions differ in their implementation of leaf-temperature impacts of mild drought. For the online version of MEGAN that is coupled to CLM, the impact of drought on leaf temperature is simulated directly and the calculated leaf temperature is considered for the estimation of isoprene emission. For the offline version, we apply an empirical algorithm derived from whole-canopy flux measurements for simulating the impact of drought ranging from mild to severe stage. In addition, the offline approach adopts the ratio ($f$ PET ) of actual evapotranspiration to potential evapotranspiration to quantify the severity of drought instead of using soil moisture. We applied the two algorithms in the CLM-CAM-chem (the Community Atmosphere Model with Chemistry) model to simulate the impact of drought on isoprene emission and found that drought can decrease isoprene emission globally by 11% in 2012. We further compared the formaldehyde (HCHO) vertical column density simulated by CAM-chem to satellite HCHO observations. We found that the proposed drought algorithm can improve the match with the HCHO observations during droughts, but the performance of the drought algorithm is limited by the capacity of the model to capture the severity of drought.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Impact of environmental backgrounds on atmospheric monitoring of nuclear explosions

Radionuclide monitoring for nuclear explosions includes measuring radioactive aerosol and noble gas concentrations in the atmosphere. The International Monitoring System (IMS) of the Comprehensive Nuclear Test Ban Treaty (CTBT) has made such measurements for decades, revealing much about how atmospheric radioactivity impacts the sensitivity of the network. For example, civilian emissions of radioiodine make a substantial regional impact, but a minor global impact, while civilian radioxenon emissions create major regional and complex global impacts. This example statement is strongly influenced by the minimum signal level anticipated to be interesting. The original design of the IMS anticipated relatively large signal levels, and the accomplished IMS network substantially meets or exceeds the sensitivity needed to detect those signal levels. Much lower signal levels can be motivated, which could require reconsideration of station sensitivity. Using measured and simulated background concentrations, various possible desired signal levels, and an innovative anomaly threshold, maps of sensitivity and a station ranking are developed for current and future stations. These provide a strong motivation for additional experimentation to learn about sources and the potential plusses of new technology.

Eslinger, Paul W.↗
DOE OSTI2021

Plant biochemistry influences tropospheric ozone formation, destruction, deposition, and response

Tropospheric ozone (O 3 ) is among the most damaging air pollutant to plants. Plants alter the atmospheric O 3 concentration in two distinct ways: (i) by the emission of volatile organic compounds (VOCs) that are precursors of O 3 ; and (ii) by dry deposition, which includes diffusion of O 3 into vegetation through stomata and destruction by nonstomatal pathways. Isoprene, monoterpenes, and higher terpenoids are emitted by plants in quantities that alter tropospheric O 3 . Deposition of O 3 into vegetation is related to stomatal conductance, leaf structural traits, and the detoxification capacity of the apoplast. The biochemical fate of O 3 once it enters leaves and reacts with aqueous surfaces is largely unknown, but new techniques for the tracking and identification of initial products have the potential to open the black box.

59 BASIC BIOLOGICAL SCIENCES↗