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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Exceptional Electrical Detection of Trace NO 2 via Mixed Metal MOF-on-MOF Film-Based Sensors

The tunability of metal–organic frameworks (MOFs) makes them exceptional materials for the development of highly selective, low-power sensors for toxic gas detection. Herein, we demonstrate enhanced detection of NO 2 gas by a MOF-based electrical impedance sensor made using a unique mixed metal MOF-on-MOF synthesis. For this work, a combined experimental and computational study was performed using the exemplar Ni x Mg 1–x -MOF-74 to understand the fundamental structure–property relationships behind metal mixing and MOF film synthesis methods on sensor performance. Density functional theory results indicated that the presence of Ni in Mg-MOF-74 increased framework stability and increased the electron density of states at lower energies near the HOMO, as well as enhanced the NO 2 –Mg adsorption interaction. Impedance data of the Ni x Mg 1–x -MOF-74 films with larger Ni contents showed greater impedance change after exposure to 1 ppm of NO 2 gas. Furthermore, when synthesized through either a drop-cast or direct solvothermal film growth approach, the monometallic Ni-based sensors had the best performance. However, the mixed metal Ni x Mg 1–x -MOF-74 sensors synthesized through a MOF-on-MOF approach resulted in the highest impedance change, outperforming all monometallic Ni-based sensors. In particular, the mixed metal Ni-on-Mg-MOF-74 film was the best-performing sensor with an impedance change of 309 upon trace NO 2 exposure. Change in impedance response after NO 2 exposure was improved by 52% compared to the best monometallic Ni-on-Ni-MOF-74 sensor. Structural analysis of the Ni-on-Mg film showed that the first Mg-MOF-74 layer acts as a structural template controlling the structural features of the final film after metal exchange with Ni. This led to improved film quality, evidenced by the greater crystallinity and larger MOF grain sizes, and resulted in enhanced sensor performance which was not achievable through other metal mixing methods. Altogether, this study identifies structure–property relationships and synthetic templating methods that inform MOF-based sensor design, allowing for improved detection of toxic compounds.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Wildland Urban Interface (WUI) Emissions: Laboratory Measurement of Aerosol and Trace Gas from Combustion of Manufactured Building Materials

Wildfires are increasing in intensity and more often threatening the wildland urban interface (WUI) where buildings and homes coexist with the natural environment. WUI emissions have not been as well-studied as emissions from vegetation. Thus, there is a need to quantify the emissions of building materials used in home construction under flaming and smoldering conditions to study their impacts to human health, visibility, air quality, and climate. Here, in a controlled laboratory setting, we quantify emissions of aerosols and trace gases including formaldehyde, particulate matter, and black carbon. We focus on the combustion of traditional single-source wood-based construction fuels. Our results indicate that, similar to natural fuels, the aerosol optical properties were more related to combustion conditions than the fuel type. Overall, we observed significant variability in the gas and particle emissions. Consistent trends include high formaldehyde (HCHO) and carbon monoxide (CO) emissions for smoldering conditions and higher carbon dioxide (CO 2 ), nitrogen oxides (NO x ), and black carbon for flaming conditions. Finally, these observations highlight the need to better characterize emissions for materials in the built environment to assess large-scale climate and human health impacts of fires at the WUI.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

The Spread of Ocean Heat Uptake Efficiency Traced to Ocean Salinity

Abstract Ocean heat uptake (OHU) plays an important role in determining the rate of surface warming under CO 2 forcing. We examined the transient response to CO 2 forcing in a set of 30 climate models from Coupled Model Intercomparison Project Phase 6 (CMIP6) and found that the intermodel spread in OHU efficiency largely depends on the base‐state ocean stratification, especially in the Southern Ocean. This dependence is primarily traced to ocean salinity rather than ocean temperature. Models with weaker ocean stratification primarily due to higher upper‐ocean salinity tend to sequester heat into the deeper ocean, leading to a lower rate of surface warming, a primary reason for higher OHU efficiency; the stratification impact on total OHU is secondary. We applied the relationship between salinity and OHU efficiency for an emergent constraint on OHU efficiency, suggesting an OHU efficiency higher than the CMIP6 multimodel average and arguing against models with extremely low efficiency.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Tracing the Rain Formation Pathways in Numerical Simulations of Deep Convection

Quantifying the microphysical process contributions to surface precipitation in numerical simulations can be challenging. This is due to the fact that many microphysical processes contribute to the formation and depletion of rain drops and there is almost always a spatial/temporal mismatch between where/when rain is formed and where/when it strikes the surface. In this work, we develop a tracing method that tracks the sources and sinks of raindrop mass and number as they are advected by the Weather Research and Forecasting model. Applying the method to an idealized squall line confirms that convective precipitation is dominated by warm rain processes (autoconversion and accretion) while stratiform precipitation is dominated by the melting of rimed and unrimed ice crystals. Sensitivity experiments in which the prescribed cloud drop number concentration is increased confirm the conventional wisdom that weakened autoconversion increases the fraction of raindrops originating from cold rain processes. The method also reveals that when applied to deep convection the Khairoutdinov and Kogan autoconversion scheme produces an excessive number of raindrops which are subsequently clipped in P3 microphysics to keep the rain size distribution within prescribed limits. This problem can mostly be mitigated by increasing the assumed radius for raindrops created by autoconversion.

58 GEOSCIENCES↗
DOE OSTI2023

Single-cell isotope tracing reveals functional guilds of bacteria associated with the diatom Phaeodactylum tricornutum

Abstract Bacterial remineralization of algal organic matter fuels algal growth but is rarely quantified. Consequently, we cannot currently predict whether some bacterial taxa may provide more remineralized nutrients to algae than others. Here, we quantified bacterial incorporation of algal-derived complex dissolved organic carbon and nitrogen and algal incorporation of remineralized carbon and nitrogen in fifteen bacterial co-cultures growing with the diatom Phaeodactylum tricornutum at the single-cell level using isotope tracing and nanoSIMS. We found unexpected strain-to-strain and cell-to-cell variability in net carbon and nitrogen incorporation, including non-ubiquitous complex organic nitrogen utilization and remineralization. We used these data to identify three distinct functional guilds of metabolic interactions, which we termed macromolecule remineralizers, macromolecule users, and small-molecule users, the latter exhibiting efficient growth under low carbon availability. The functional guilds were not linked to phylogeny and could not be elucidated strictly from metabolic capacity as predicted by comparative genomics, highlighting the need for direct activity-based measurements in ecological studies of microbial metabolic interactions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Radionuclide tracing based in situ corrosion and mass transport monitoring of 316L stainless steel in a molten salt closed loop

In the study, we report an in situ corrosion and mass transport monitoring method developed using a radionuclide tracing technique for the corrosion study of 316L stainless steel (316L SS) in a NaCl–MgCl 2 eutectic molten salt natural circulation loop. This method involves cyclotron irradiation of a small tube section with 16 MeV protons, later welds at the hot leg of the molten salt flow loop, generating radionuclides 51 Cr, 52 Mn, and 56 Co at the salt–alloy interface. By measuring the activity variations of these radionuclides at different sections along the loop, both the in situ monitoring of the corrosion attack depth of 316L SS and corrosion product transport and its precipitation in flowing NaCl–MgCl 2 molten salt are achieved. While 316L SS is the focus of this study, the technique reported herein can be extended to other structural materials being used in a wide range of industrial applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Strontium isoscape of sub-Saharan Africa allows tracing origins of victims of the transatlantic slave trade

Abstract Strontium isotope ( 87 Sr/ 86 Sr) analysis with reference to strontium isotope landscapes (Sr isoscapes) allows reconstructing mobility and migration in archaeology, ecology, and forensics. However, despite the vast potential of research involving 87 Sr/ 86 Sr analysis particularly in Africa, Sr isoscapes remain unavailable for the largest parts of the continent. Here, we measure the 87 Sr/ 86 Sr ratios in 778 environmental samples from 24 African countries and combine this data with published data to model a bioavailable Sr isoscape for sub-Saharan Africa using random forest regression. We demonstrate the efficacy of this Sr isoscape, in combination with other lines of evidence, to trace the African roots of individuals from historic slavery contexts, particularly those with highly radiogenic 87 Sr/ 86 Sr ratios uncommon in the African Diaspora. Our study provides an extensive African 87 Sr/ 86 Sr dataset which includes scientifically marginalized regions of Africa, with significant implications for the archaeology of the transatlantic slave trade, wildlife ecology, conservation, and forensics.

Science & Technology - Other Topics↗
DOE OSTI2021

Tracing the incorporation of the “ninth sulfur” into the nitrogenase cofactor precursor with selenite and tellurite

We report Molybdenum nitrogenase catalyses the reduction of N 2 to NH 3 at its cofactor, an [(R-homocitrate)MoFe 7 S 9 C] cluster synthesized via the formation of a [Fe 8 S 9 C] L-cluster prior to the insertion of molybdenum and homocitrate. We have previously identified a [Fe 8 S 8 C] L*-cluster, which is homologous to the core structure of the L-cluster but lacks the ‘ninth sulfur’ in the belt region. However, direct evidence and mechanistic details of the L*- to L-cluster conversion upon ‘ninth sulfur’ insertion remain elusive. Here we trace the ‘ninth sulfur’ insertion using SeO 3 2- and TeO 3 2- as ‘labelled’ SO 3 2- . Biochemical, electron paramagnetic resonance and X-ray absorption spectroscopy/extended X-ray absorption fine structure studies suggest a role of the ‘ninth sulfur’ in cluster transfer during cofactor biosynthesis while revealing the incorporation of Se 2- - and Te 2- -like species into the L-cluster. Density functional theory calculations further point to a plausible mechanism involving in situ reduction of SO 3 2- to S 2- , thereby suggesting the utility of this reaction to label the catalytically important belt region for mechanistic investigations of nitrogenase.

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

Suppressing ion migration in metal halide perovskite via interstitial doping with a trace amount of multivalent cations

Cations with suitable sizes to occupy an interstitial site of perovskite crystals have been widely used to inhibit ion migration and promote the performance and stability of perovskite optoelectronics. However, such interstitial doping inevitably leads to lattice microstrain that impairs the long-range ordering and stability of the crystals, causing a sacrificial trade-off. Here, we unravel the evident influence of the valence states of the interstitial cations on their efficacy to suppress the ion migration. Incorporation of a trivalent neodymium cation (Nd 3+ ) effectively mitigates the ion migration in the perovskite lattice with a reduced dosage (0.08%) compared to a widely used monovalent cation dopant (Na + , 0.45%). As a result, the photovoltaic performances and operational stability of the prototypical perovskite solar cells are enhanced with a trace amount of Nd 3+ doping while minimizing the sacrificial trade-off.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Simultaneous attenuation of trace organics and change in organic matter composition in the hyporheic zone of urban streams

Trace organic compounds (TrOCs) enter rivers with discharge of treated wastewater. These effluents can contain high loads of dissolved organic matter (DOM). In a 48 h field study, we investigated changes in molecular composition of seven DOM compound classes (FTICR-MS) and attenuation of 17 polar TrOCs in a small urban stream receiving treated wastewater. Correlations between TrOCs and DOM were used to identify simultaneous changes in surface water and the hyporheic zone. Changes in TrOC concentrations in surface water ranged between a decrease of 29.2% for methylbenzotriazole and an increase of 152.2% for the transformation product gabapentin-lactam. In the hyporheic zone, only decreasing TrOC concentrations were observed, ranging from 4.9% for primidone to 93.8% for venlafaxine . TrOC attenuation coincided with a decline of molecular diversity of easily biodegradable DOM compound classes while molecular diversity of poorly biodegradable DOM compound classes increased. This concurrence indicates similar or linked attenuation pathways for biodegradable DOM and TrOCs. Strong correlations between TrOCs and DOM compound classes as well as high attenuation of TrOCs primarily occurred in the hyporheic zone. This suggests high potential for DOM turnover and TrOC mitigation in rivers if hyporheic exchange is sufficient.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Tracing the outflow kinematics in Type 2 active galactic nuclei

Here, we used a sample of 577 spectra of active galactic nuclei Type 1.8-2 (z < 0.25) taken from the Sloan Digital Sky Survey to trace the influence of the outflow kinematics on the profiles of different emission lines (Hβ, [O III], Hα, [N II], [S II]). All considered lines were fitted with two Gaussian components: one that fits the core of the line, and another that fits the wings. We provide a procedure for decomposition of the Hα+[N II] wavelength band for spectra where these lines overlap. The influence of the gravitational and non-gravitational kinematics on the line components is investigated by comparing the dispersions of the line components with stellar velocity dispersion. We find that wing components of all the considered emission lines have pure non-gravitational kinematics. The core components are consistent with gravitational kinematics for the Hα, [N II], and [S II] lines, while in the [O III] there is evidence for contribution from non-gravitational kinematics. We adopted the wing components as a proxy for the outflow contribution and investigated the outflow kinematics by analysing the correlations between the widths and shifts of the wing components of different lines. For this purpose, we used the subsets in which wing components are detected in both compared lines, and can be fitted independently. We find strong correlations between wing component shifts, as well as between wing component widths of all considered lines, with the exception of the Hβ wing component width. These correlations indicate that outflow dynamics systemically affect all emission lines in the spectrum. However, it reflects with a different strength in their profiles, which is observed as different widths of the wing components. This is investigated by comparison of the mean widths of the wing components in subsets where wing components are present in all lines. The strongest outflow signature is observed in the [O III] lines, which have the broadest wing components; weaker outflow signatures are found in Hα and [N II], and the weakest is found for [S II]. These results imply that the considered lines arise in different parts of an outflowing region.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

The edges of galaxies: Tracing the limits of star formation

The outskirts of galaxies have been studied from multiple perspectives for the past few decades. However, it is still unknown if all galaxies have clear-cut edges similar to everyday objects. We address this question by developing physically motivated criteria to define the edges of galaxies. Based on the gas density threshold required for star formation, we define the edge of a galaxy as the outermost radial location associated with a significant drop in either past or ongoing in situ star formation. We explore ~1000 low-inclination galaxies with a wide range in morphology (dwarfs to ellipticals) and stellar mass (10 7 M ⊙ < M * < 10 12 M ⊙ ). The location of the edges of these galaxies (R edge ) were visually identified as the outermost cutoff or truncation in their radial profiles using deep multi-band optical imaging from the IAC Stripe82 Legacy Project. We find this characteristic feature at the following mean stellar mass density, which varies with galaxy morphology: 2.9 ± 0.10 M ⊙ pc -2 for ellipticals, 1.1 ± 0.04 M ⊙ pc -2 for spirals, and 0.6 ± 0.03 M ⊙ pc -2 for present-day star-forming dwarfs. Additionally, we find that R edge depends on its age (colour) where bluer galaxies have larger R edge at a fixed stellar mass. The resulting stellar mass–size plane using R edge as a physically motivated galaxy size measure has a very narrow intrinsic scatter (≲0.06 dex). These results highlight the importance of new deep imaging surveys to explore the growth of galaxies and trace the limits of star formation in their outskirts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Ultrasonication-assisted trace amount solvent synthesis of Cs 4 PbBr 6 crystal with ultra-bright green light emission

Cs 4 PbBr 6 crystals have been synthesized by an ultrasonication-assisted trace amount polar solvent method. The prepared green Cs 4 PbBr 6 material was found to have high photoluminescence (PL) brightness and 10 ns PL lifetime. The prepared green light emitting device can achieve the maximum brightness of 3.8 × 10 9 cd/m 2 , which is nearly 100 times higher than a wick. The white light emitting device based on Cs 4 PbBr 6 crystals has better performance than commercial products, which can cover 32.3% of the color gamut and achieves 107.3% coverage for International Commission on Illumination (CIE)1931 and 84.8% coverage for CIE1976.

36 MATERIALS SCIENCE↗