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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Shrub Expansion Simulations at Trail Valley Creek Tundra site using E3SM Land Model (ELM) Arctic-focused Version

The warming of the Arctic is causing substantial compositional, structural, and functional changes in tundra vegetation including shrub and densification in parts of the Arctic. Assessing the impact of these changes in vegetation composition on the Arctic’s carbon and energy budgets is important to constrain projected local and global surface-atmosphere exchanges. We conduct a sensitivity analysis of the projected surface energy fluxes, soil carbon pools, and carbon dioxide fluxes (net ecosystem exchange, gross primary production, and ecosystem respiration) between present day and 2100 to different shrub expansion rates and air temperature increases under future emission scenarios (intermediate – RCP4.5, and high – RCP8.5) using the Arctic-focused version of the Energy Exascale Earth System Model (E3SM) Land Model (ELM). We focus on Trail Valley Creek (TVC), a mineral upland tundra site located in the western Canadian Arctic, which is experiencing tall shrub densification and expansion. In this study, we run TVC under two different warming scenarios RCP4.5 and RCP 8.5 and simulate different shrubification rates projected until year 2100. In this repository, we include all the forcing, input, parameters, and output data corresponding to all the simulations performed. flmd.csv includes a detailed description of the datasets files.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Application of machine learning approaches in the analysis of mass absorption cross-section of black carbon aerosols: Aerosol composition dependencies and sensitivity analyses

Physics-based models typically require an in-depth understanding of a phenomenon and assumptions of the underlying process(es), which are often hard to obtain in practice, whereas data-driven machine learning models learn the structure and patterns in the training data without any prior theoretical assumptions and then use inference to develop useful predictions. A novel machine learning-based algorithm has been previously developed for the prediction of black carbon mass absorption cross-section (MAC BC ) and applied to a variety of different atmospheric environments. In contrast to light scattering theories which require assumptions about the underlying physics, this algorithm uses time-series data of aerosol properties to estimate the temporally-varying MAC BC at 870 nm. Here, we analyze our algorithm and discuss the influence of aerosol optical properties (such as Ångström exponents and single scattering albedo) and chemical composition on the model outputs and the associated accuracy. Additionally, we conduct sensitivity analyses on our models to understand how the predictions change in response to different sets of input variables. Our support vector machine (SVM) for regression model is the least sensitive to variations in the input variables, although all models tend to exhibit a degradation to their accuracy when scattering Ångström exponents are less than one.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Predictive Modeling of NOx Emissions from Lean Direct Injection of Hydrogen and Hydrogen/Natural Gas Blends Using Flame Imaging and Machine Learning

This research paper explores the use of machine learning to relate images of flame structure and luminosity to measured NOx emissions. Images of reactions produced by 16 aero-engine derived injectors for a ground-based turbine operated on a range of fuel compositions, air pressure drops, preheat temperatures and adiabatic flame temperatures were captured and postprocessed. The experimental investigations were conducted under atmospheric conditions, capturing CO, NO and NOx emissions data and OH* chemiluminescence images from 27 test conditions. The injector geometry and test conditions were based on a statistically designed test plan. These results were first analyzed using the traditional analysis approach of analysis of variance (ANOVA). The statistically based test plan yielded 432 data points, leading to a correlation for NOx emissions as a function of injector geometry, test conditions and imaging responses, with 70.2% accuracy. As an alternative approach to predicting emissions using imaging diagnostics as well as injector geometry and test conditions, a random forest machine learning algorithm was also applied to the data and was able to achieve an accuracy of 82.6%. This study offers insights into the factors influencing emissions in ground-based turbines while emphasizing the potential of machine learning algorithms in constructing predictive models for complex systems.

08 HYDROGEN↗
DOE OSTI2023

Revealing the Chemical State of Palladium in Operating In 2 O 3 Gas Sensors: Metallic Pd Enhances Sensing Response and Intermetallic In x Pd y Compound Blocks It

The sensing response of metal oxides activated with noble metal nanoparticles is significantly influenced by changes to the chemical state of corresponding elements under operating conditions. Here, a PdO/rh-In 2 O3 consisting of PdO nanoparticles loaded onto rhombohedral In 2 O 3 was studied as a gas sensor for H 2 gas (100–40000 ppm in an oxygen-free atmosphere) in the temperature range of 25–450 °C. The phase composition and chemical state of elements were examined by resistance measurements combined with synchrotron-based in situ X-ray diffraction and ex situ X-ray photoelectron spectroscopy. As found, PdO/rh-In 2 O 3 undergoes a series of structural and chemical transformations during operation: from PdO to Pd/PdH x and finally to the intermetallic In x Pd y phase. The maximal sensing response (R N2 /R H2 ) of ~5 · 10 7 towards 40000 ppm (4 vol %) H 2 at 70 °C is correlated with the formation of PdH 0.706 /Pd. The In x Pd y intermetallic compounds formed around 250 °C significantly decrease the sensing response.

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

Nanoscale oxidation behavior of carbon fibers revealed with in situ gas cell STEM

Thermal protection systems are used to protect spacecraft payloads during the extreme conditions of atmospheric entry. The backbone of the composite material often used for NASA mission is carbon fiber, which oxidizes at these conditions. This study presents the direct observation of carbon oxidation using in situ Scanning Transmission Electron Microscopy (STEM). A thin section of a commercially-available carbon fiber material containing multiple structures was examined by STEM in a closed-environmental cell in which temperature was raised from 25 to 1050 °C under a steady flow of air. Results show that the random polycrystalline carbon structure oxidized more uniformly and rapidly than the single crystallite region, which oxidized more anisotropically. These findings are the first to directly observe the structural dependence of carbon oxidation rates at these length-scales while also giving important insight into the onset of pitting at various active surface sites, important pieces in fundamentally understanding of carbon oxidation.

36 MATERIALS SCIENCE↗
DOE OSTI2025

exoALMA. V. Gaseous Emission Surfaces and Temperature Structures

An analysis of the gaseous component in protoplanetary disks can inform us about their thermal and physical structure, chemical composition, and kinematic properties, all of which are crucial for understanding various processes within the disks. By exploiting the asymmetry of the line emission, or via line profile analysis, we can locate the emitting surfaces. Here, we present the emission surfaces of the exoALMA sources in 12 CO J = 3–2, 13 CO J = 3–2, and CS J = 7–6. We find that 12 CO traces the upper disk atmosphere, with mean $\langle$ z/r $\rangle$ values of ≈0.28, while 13 CO and CS trace lower regions of the disk with mean $\langle$ z/r $\rangle$ values of ≈0.16 and ≈0.18, respectively. We find that 12 CO $\langle$ z/r $\rangle$ and the disk mass are positively correlated with each other; this relationship offers a straightforward way to infer the disk mass. We derive 2D r – z temperature distributions of the disks. Additionally, we search for substructure in the surfaces and radial intensity profiles; we find evidence of localized substructure in the emission surfaces and peak intensity profiles of nearly every disk, with this substructure often being coincident between molecular tracers, intensity profiles, and kinematic perturbations. Four disks display evidence of potential photodesorption, implying that this effect may be common even in low far-ultraviolet star-forming regions. For most disks, we find that the physical and thermal structure is more complex than analytical models can account for, highlighting a need for more theoretical work and a better understanding of the role of projection effects on our observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Microanalysis of Primary Biological Particles from Model Grass over Its Life Cycle

Airborne biological aerosols are an integral part of the atmosphere–biosphere interface and significantly impact the environment and Earth’s climate. Primary biological particles such as fungal spores, bacteria, and fragments of plant debris are emitted directly from the biosphere into the atmosphere. The phyllosphere (aboveground plant surfaces) is one of the major habitats for different microbes. Here, atmospheric emissions of primary biological particles from model grass Brachypodium distachyon were monitored by online particle number concentration counting at eight principal growth stages starting from leaf development to senescence. Particles collected at each of the growth stages were then characterized using microspectroscopy techniques. Our findings indicate that the morphological and compositional characteristics of emitted biological particles are highly variable at the different growth stages. We identified fungal spores as the most abundant biological particles in the heading stage, while bacteria were most abundant in the flowering and fruit development stages. Understanding differences in the composition and morphology of biological particles during the plant life cycle provides more accurate and reliable insights on structural, functional, and biochemical properties of plant systems, as well as their interactions with microbial communities. This study also provides insights into Earth geoscience system models that represent primary biological particle emissions from the biosphere.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

In Situ High-Temperature Synchrotron Diffraction Studies of (Fe,Cr,Al) 3 O 4 Spinels

The modeling of a loss-of-coolant-accident scenario involving nuclear fuels with FeCrAl cladding materials in consideration to replace a Zircaloy requires knowledge of the thermodynamics of oxidized structures. At temperatures higher than 1500 degrees C, oxidation of FeCrAl alloys forms (Fe,Cr,Al) 3 O 4 spinels. In situ high-energy X-ray diffraction in a conical nozzle levitator installed at beamline 6-ID-D of the APS was used to study the structural evolution of the oxides as a function of the temperature. Single-phase (spinel) and multiphase (spinel-corundum-FeAlO 3 ) regions are mapped as a function of the temperature for three different compositions of FeCrAl oxidation products. The thermal expansion coefficients and cation distribution in the spinel structure have been refined. The temperature at which complete melting of the fuel cladding is expected has been determined by the liquidus temperatures of the oxidized products to be between 1657 and 1834 degrees C in a 20% O 2 /Ar atmosphere using the cooling trace method. The liquidus temperature increases with increasing Al and Cr content in the spinel phase.

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

A co-opted steroid synthesis gene, maintained in sorghum but not maize, is associated with a divergence in leaf wax chemistry

Significance Virtually all above-ground plant surfaces, such as leaf and stem exteriors, are covered in a cuticle: a wax-infused polyester. This waxy biocomposite is the largest interface between Earth’s biosphere and atmosphere. Its chemical composition is not only highly tuned to mediate nonstomatal water loss, but it also self-assembles to produce superhydrophobic surfaces, protects against UV radiation, and contains bioactive compounds that help resist microbial attack. Developing fundamental knowledge of waxy biocomposites, particularly those on crop species, is a prerequisite for an understanding of their structure–function relationships. Here, we uncover a likely genetic basis for the presence and absence, respectively, of triterpenoids in the leaf waxes of sorghum and maize—compounds previously associated with creating heat-tolerant cuticular water barriers.

09 BIOMASS FUELS↗
DOE OSTI2022

Discovery of TOI-1260d and the characterization of the multiplanet system

ABSTRACT We report the discovery of a third planet transiting the star TOI-1260, previously known to host two transiting sub-Neptune planets with orbital periods of 3.127 and 7.493 d, respectively. The nature of the third transiting planet with a 16.6-d orbit is supported by ground-based follow-up observations, including time-series photometry, high-angular resolution images, spectroscopy, and archival imagery. Precise photometric monitoring with CHEOPS allows to improve the constraints on the parameters of the system, improving our knowledge on their composition. The improved radii of TOI-1260b and TOI-1260c are $2.36 \pm 0.06 \rm R_{\oplus }$, $2.82 \pm 0.08 \rm R_{\oplus }$, respectively while the newly discovered third planet has a radius of $3.09 \pm 0.09 \rm R_{\oplus }$. The radius uncertainties are in the range of 3 per cent, allowing a precise interpretation of the interior structure of the three planets. Our planet interior composition model suggests that all three planets in the TOI-1260 system contains some fraction of gas. The innermost planet TOI-1260b has most likely lost all of its primordial hydrogen-dominated envelope. Planets c and d were also likely to have experienced significant loss of atmospheric through escape, but to a lesser extent compared to planet b.

Lam, K. W. F. (ORCID:0000000299106088)↗
DOE OSTI2026

Kent Island Boundary Layer Field Campaign Report

Understanding the mechanisms governing the urban atmospheric environment is critical for informing urban populations about the impacts of climate change and associated mitigation and adaptation measures. The U.S. Department of Energy Atmospheric Radiation Measurement (ARM) User Facility’s Coast-Urban-Rural Atmospheric Gradient Experiment (CoURAGE) was conducted to study the interactions among the earth’s surface, the atmospheric boundary layer (ABL), aerosols, atmospheric composition, clouds, radiation, and precipitation at each experimental site, and to examine how the spatial gradients across the region interact to create the climate conditions in Baltimore. In this activity we performed weekly soundings, alternating between day and night from Kent Island, to get low-frequency, long-term observations of ABL/lower tropospheric thermodynamic structure. However, during the CoURAGE intensive operational period (IOP), we performed high-frequency sampling (2x/day), at times coinciding with CoURAGE IOP soundings at the main site. The short-term, high-frequency sounding information that was launched at 12Z and 18Z was to complement the longer-term data set.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Enhancement of effective thermal conductivity of rGO/Mg nanocomposite packed beds

Engineering thermophysical properties of metal hydrides nanocomposites is crucial for effective thermal management during hydrogen storage reactions; however, the effect of microstructure on thermal transport mechanisms is still unclear. Here, we employed an integrated experiment-modeling approach to investigate microstructural factors that determine the effective thermal conductivity of individual reduced graphene oxide-magnesium (rGO/Mg) nanocomposites and their packed bed. Here the effective thermal conductivity of the rGO/Mg nanocomposite packed bed was measured by using guarded hot-plate method under various atmospheric conditions (i.e., vacuum, Ar and He). A microstructure-aware mesoscopic modeling revealed that anisotropy of the effective thermal conductivity of individual rGO/Mg nanocomposites plays an important role in determining the effective thermal conductivity of their packed bed. The validated mesoscopic model also disclosed a nontrivial interplay between the intrinsic rGO properties and the extrinsic composite structural features. Finally, quantitative sensitivity analysis based on the modeling framework is used to provide practical engineering guidance for controlling the thermal transport within nanocomposite packed beds.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Fungal community structure and function shifts with atmospheric nitrogen deposition

Fungal decomposition of soil organic matter depends on soil nitrogen (N) availability. This ecosystem process is being jeopardized by changes in N inputs that have resulted from a tripling of atmospheric N deposition in the last century. Soil fungi are impacted by atmospheric N deposition due to higher N availability, as soils are acidified, or as micronutrients become increasingly limiting. Fungal communities that persist with chronic N deposition may be enriched with traits that enable them to tolerate environmental stress, which may trade-off with traits enabling organic matter decomposition. We hypothesized that fungal communities would respond to N deposition by shifting community composition and functional gene abundances toward those that tolerate stress but are weak decomposers. We sampled soils at seven eastern US hardwood forests where ambient N deposition varied from 3.2 to 12.6 kg N ha -1 year -1 , five of which also have experimental plots where atmospheric N deposition was simulated through fertilizer application treatments (25–50 kg N ha -1 year -1 ). Fungal community and functional responses to fertilizer varied across the ambient N deposition gradient. Fungal biomass and richness increased with simulated N deposition at sites with low ambient deposition and decreased at sites with high ambient deposition. Fungal functional genes involved in hydrolysis of organic matter increased with ambient N deposition while genes involved in oxidation of organic matter decreased. One of four genes involved in generalized abiotic stress tolerance increased with ambient N deposition. In summary, we found that the divergent response to simulated N deposition depended on ambient N deposition levels. Fungal biomass, richness, and oxidative enzyme potential were reduced by N deposition where ambient N deposition was high suggesting fungal communities were pushed beyond an environmental stress threshold. Fungal community structure and function responses to N enrichment depended on ambient N deposition at a regional scale.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Cost-effective, Thin-film SOFCs for Reliable Power Generation (Final Report)

The project was aimed at developing and demonstrating an advanced solid-oxide fuel cell (SOFC) technology to cost-effectively and reliably generate electricity directly from hydrocarbon fuels (e.g., natural gas and coal-derived syngas) for distributed and central generation applications. The studied technology was built on a planar, porous metal-supported SOFC (MS-SOFC) with a unique thin-film structure having its anode intimately supported on a metal substrate. The porous metal support with graded porosity was fabricated from a low-cost scalable phase-inversion tape casting method. Anode, thin-film electrolyte, and cathode were sequentially deposited on the porous metal substrate using atmospheric plasma spray (APS). In this study, it was shown that the composition of the casting slurry could significantly influence the morphology of the metal support fabricated using the phase-inversion tape-casting method. Increasing the solid loading in the slurry favored the formation and growth of finger-like pores to a point, but the presence of excessive solid loading increased the viscosity of the casting slurry, restraining the growth of finger-like pores. With the increase in the amount of the binder polyethersulfone (PESf) in the slurry, well grown finger-like pores and a thin sponge-like layer were formed. Since the parameters of the APS process have a significant effect on the microstructure of coatings, which in turn affects or determines the SOFC cell performance, a series of metal-supported solid oxide fuel cells with a four-layer cell configuration of 430L/Ni-ScSZ/ScSZ/LSCF have been fabricated by a combination of phase inversion tape casting and APS techniques. Electrochemical testing of the cells fabricated from different deposition APS conditions revealed significant differences in cell performance.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

In Situ High-Temperature Structural Analysis of High-Entropy Rare-Earth Sesquioxides

High-entropy rare-earth (RE) sesquioxides (RE 2 O 3 ) containing five cations in equimolar amounts have been investigated for a variety of applications, but little is known about their polymorphic behavior and coefficient of thermal expansion. Here, in this work, we evaluate the effect of the average ionic radius (AIR) on the polymorphism of high-entropy RE 2 O 3 . Powder samples of compositions 1 (Lu,Y,Ho,Nd,La) 2 O 3 (AIR = 0.938 Å) and 2 (Gd,Eu,Sm,Nd,La) 2 O 3 (AIR = 0.982 Å) were synthesized via a wet chemical method, and bead samples were prepared for aerodynamic levitation by melting the powders in a copper hearth. Structural transitions were monitored upon cooling from the melt to 1000 °C via in situ X-ray diffraction on aerodynamically levitated samples. The phase evolution was liquid, hexagonal H-type, and monoclinic B-type for composition 1 and liquid, cubic X-type, H-type, and B-type for composition 2. Based on their AIR, the general polymorphic transformations of the high-entropy RE 2 O 3 follow the trend of single-RE RE 2 O 3 , but the transition temperatures differ from those of single-RE RE 2 O 3 . The coefficient of thermal expansion values of the B-type phase of compositions 1 and 2 are similar to those of Gd 2 O 3 and previously published high-entropy RE 2 O 3 .

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

Calcium Sulfate and Calcium Carbonate Scaling of Thin-Film Composite Polyamide Reverse Osmosis Membranes with Surface-Tethered Polyacrylic Acid Chains

The gypsum and calcite scaling propensities of the thin-film composite polyamide (PA-TFC) reverse osmosis (RO) membrane, modified with a tethered surface layer of polyacrylic acid (PAA) chains, was evaluated and compared to the scaling of selected commercial RO membranes. The tethered PAA layer was synthesized onto a commercial polyamide membrane (i.e., base-PA) via atmospheric pressure plasma-induced graft polymerization (APPIGP). The PAA nano-structured (SNS) base-PA membrane (SNS-PAA-PA) was scaled to a lesser degree, as quantified by a lower permeate flux decline and surface imaging, relative to the tested commercial membranes (Dow SW30, Toray SWRO, and BWRO). The cleaning of gypsum-scaled membranes with D.I. water flushing achieved 100% water permeability recovery for both the SNS-PAA-PA and Dow SW30 membranes, relative to 92–98% permeability restoration for the Toray membranes. The calcium carbonate scaling of SNS-PAA-PA membranes was also lower relative to the commercial membranes, but permeability recovery after D.I. water cleaning was somewhat lower (94%) but consistent with the level of surface scale coverage. In contrast, the calcite and gypsum-scaled membrane areas of the commercial membranes post-cleaning were significantly higher than for the SNS-PAA-PA membrane but with 100% permeability recovery, suggesting the potential for membrane damage when mineral scaling is severe.

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

Particle phase-state variability in the North Atlantic free troposphere during summertime is determined by atmospheric transport patterns and sources

Abstract. Free tropospheric aerosol particles have important but poorly constrained climate effects due to transformations of their physicochemical properties during long-range transport. In this study, we investigate the chemical composition and provide an overview of the phase states of individual particles that have undergone long-range transport over the North Atlantic Ocean in June and July 2014, 2015, and 2017 to the Observatory of Mount Pico (OMP) in the Azores. The OMP is an ideal site for studying long-range-transported free tropospheric particles because local emissions have a negligible influence and contributions from the boundary layer are rare. We used the FLEXible PARTicle Lagrangian particle dispersion model (FLEXPART) to determine the origins and transport trajectories of sampled air masses and found that most of them originated from North America and recirculated over the North Atlantic Ocean. The FLEXPART analysis showed that the sampled air masses were highly aged (average plume age >10 d). Size-resolved chemical compositions of individual particles were probed using computer-controlled scanning electron microscopy with an energy-dispersive X-ray spectrometer (CCSEM-EDX) and scanning transmission X-ray microscopy with near-edge X-ray absorption fine structure spectroscopy (STXM-NEXAFS). CCSEM-EDX results showed that the most abundant particle types were carbonaceous (∼ 29.9 % to 82.0 %), sea salt (∼ 0.3 % to 31.6 %), and sea salt with sulfate (∼ 2.4 % to 31.5 %). We used a tilted stage interfaced within an environmental scanning electron microscope (ESEM) to determine the phase states of individual submicron particles. We found that most particles (∼ 47 % to 99 %) were in the liquid state at the time of collection due to inorganic inclusions. Moreover, we also observed substantial fractions of solid and semisolid particles (∼ 0 % to 30 % and ∼ 1 % to 42 %, respectively) during different transport patterns and events, reflecting the particles' phase-state variability for different atmospheric transport events and sources. Combining phase state measurements with FLEXPART CO tracer analysis, we found that wildfire-influenced plumes can result in particles with a wide range of viscosities after long-range transport in the free troposphere. We also used temperature and RH values extracted from the Global Forecast System (GFS) along the FLEXPART-simulated path to predict the phase state of the particles during transport and found that neglecting internal mixing with inorganics would lead to an overestimation of the viscosity of free tropospheric particles. Our findings warrant future investigation aiming at the quantitative assessment of the influence of internal mixing on the phase states of the individual particles. This study also provides insights into the chemical composition and phase state of free tropospheric particles, which can help models to reduce uncertainties about the effects of ambient aerosol particles on climate.

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

The Climate Response to Emissions Reductions Due to COVID-19: Initial Results From CovidMIP

Many nations responded to the COVID-19 pandemic by restricting travel and other activities during 2020, resulting in temporarily reduced emissions of CO 2 , other greenhouse gases and ozone and aerosol precursors. We perform a coordinated Intercomparison, CovidMIP, of Earth System model simulations to assess the impact on climate of these emissions reductions. Eleven models performed multiple initial-condition ensembles to produce over 280 simulations spanning both initial condition and model structural uncertainty. We find model consensus on reduced aerosol amounts (particularly over East Asia) and associated increases in surface shortwave radiation levels. However, any impact on near-surface temperature or rainfall during 2020-2024 is extremely small and is not detectable in this initial analysis. Regional analyses on a finer scale, and closer attention to extremes (especially linked to changes in atmospheric composition and air quality) are required to test the impact of COVID-19-related emission reductions on near-term climate.

54 ENVIRONMENTAL SCIENCES↗