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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Redox Mechanism in Na-Ion Battery Cathodes Probed by Advanced Soft X-Ray Spectroscopy

A Na-ion battery (NIB) device is a promising solution for mid-/large-scale energy storage, with the advantages of material abundance, low cost, and environmental benignity. To improve the NIB capacity and retainability, extensive efforts have been put into the developments of NIB electrode materials. The redox activities of the transition metal (TM)-based NIB electrodes are critical in defining the capacity and stability. Here, we provide a comprehensive review on recent studies of the redox mechanisms of NIB cathodes through synchrotron-based soft X-ray absorption spectroscopy (sXAS) and mapping of resonant inelastic X-ray scattering (mRIXS). These soft X-ray techniques are direct and effective tools to fingerprint the TM-3d and O-p states with both bulk and surface sensitivities. Particularly, 3d TM L-edge sXAS has been used to quantify the cationic redox contributions to the electrochemical property; however, it suffers from lineshape distortion for the bulk sensitive signals in some scenarios. With the new dimension of information along the emitted photon energy, mRIXS can address the distortion issue of in TM-L sXAS; moreover, it also breaks through the limitation of conventional sXAS on detecting unconventional TM and O states, e.g., Mn(I) in NIB anode and oxidized oxygen in NIB cathodes. The mRIXS fingerprint of the oxidized oxygen state enables the detection of the reversibility of the oxygen redox reaction through the evolution of feature intensity upon electrochemical cycling and thus clarifies various misunderstandings in our conventional wisdom. We conclude that, with mRIXS established as a powerful tool, its potential and power will continue to be explored for characterizing novel chemical states in NIB electrodes.

25 ENERGY STORAGE↗
DOE OSTI2021

Study of Anharmonicity in Zirconium Hydrides Using Inelastic Neutron Scattering and Ab-Initio Computer Modeling

The anharmonic phonon behavior in zirconium hydrides and deuterides, including ϵ-ZrH 2 , γ-ZrH, and γ-ZrD, has been investigated from aspects of inelastic neutron scattering (INS) and lattice dynamics calculations within the framework of density functional theory (DFT). The harmonic model failed to reproduce the spectral features observed in the experimental data, indicating the existence of anharmonicity in those materials and the necessity of further explanations. Here, we present a detailed study on the anharmonicity in zirconium hydrides/deuterides by exploring the 2D potential energy surface of hydrogen/deuterium atoms and solving the corresponding 2D single-particle Schrödinger equation to obtain the eigenfrequencies, which are then convoluted with the instrument resolution. The convoluted INS spectra qualitatively describe the anharmonic peaks in the experimental INS spectra and demonstrate that the anharmonicity originates from the deviations of hydrogen potentials from quadratic behavior in certain directions; the effects are apparent for the higher-order excited vibrational states, but small for the ground and first excited states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Bayesian chain graph models to characterize microbe-environment dynamics

Microbiome data require statistical models that can simultaneously decode microbes' reaction to the environment and interactions among microbes. While a multiresponse linear regression model seems like a straight-forward solution, we argue that treating it as a graphical model is problematic given that the regression coefficient matrix does not encode the conditional dependence structure between response and predictor nodes. This observation is especially important in biological settings when we have prior knowledge on the edges from specific experimental interventions that can only be properly encoded under a conditional dependence model. Here, we propose a chain graph model with two sets of nodes (predictors and responses) whose solution yields a graph with edges that indeed represent conditional dependence, thus agreeing with the experimenter's intuition on the average behavior of nodes under treatment. The solution to our model is sparse via the Bayesian linear regression (LASSO). In addition, we propose an adaptive extension so that different shrinkages can be applied to different edges to incorporate edge-specific prior knowledge. Our model is computationally inexpensive through an efficient Gibbs sampling algorithm and can account for binary, counting, and compositional responses via an appropriate hierarchical structure. We test the performance of our model in a variety of simulated datasets, thereby showing superior performance to state-of-the-art approaches. We further apply our model to human gut and soil microbial compositional datasets, and we highlight that CG-LASSO can estimate biologically meaningful network structures in the data.

compositional data↗
DOE OSTI2021

An overview of the ORACLES (ObseRvations of Aerosols above CLouds and their intEractionS) project: aerosol–cloud–radiation interactions in the southeast Atlantic basin

Southern Africa produces almost a third of the Earth's biomass burning (BB) aerosol particles, yet the fate of these particles and their influence on regional and global climate is poorly understood. ORACLES (ObseRvations of Aerosols above CLouds and their intEractionS) is a 5-year NASA EVS-2 (Earth Venture Suborbital-2) investigation with three intensive observation periods designed to study key atmospheric processes that determine the climate impacts of these aerosols. During the Southern Hemisphere winter and spring (June-October), aerosol particles reaching 3-5 km in altitude are transported westward over the southeast Atlantic, where they interact with one of the largest subtropical stratocumulus (Sc) cloud decks in the world. The representation of these interactions in climate models remains highly uncertain in part due to a scarcity of observational constraints on aerosol and cloud properties, as well as due to the parameterized treatment of physical processes. Three ORACLES deployments by the NASA P-3 aircraft in September 2016, August 2017, and October 2018 (totaling ~350 science flight hours), augmented by the deployment of the NASA ER-2 aircraft for remote sensing in September 2016 (totaling ~100 science flight hours), were intended to help fill this observational gap. ORACLES focuses on three fundamental science themes centered on the climate effects of African BB aerosols: (a) direct aerosol radiative effects, (b) effects of aerosol absorption on atmospheric circulation and clouds, and (c) aerosol–cloud microphysical interactions. This paper summarizes the ORACLES science objectives, describes the project implementation, provides an overview of the flights and measurements in each deployment, and highlights the integrative modeling efforts from cloud to global scales to address science objectives. Significant new findings on the vertical structure of BB aerosol physical and chemical properties, chemical aging, cloud condensation nuclei, rain and precipitation statistics, and aerosol indirect effects are emphasized, but their detailed descriptions are the subject of separate publications. The main purpose of this paper is to familiarize the broader scientific community with the ORACLES project and the dataset it produced.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Exploring dimethyl sulfide (DMS) oxidation and implications for global aerosol radiative forcing

Abstract. Aerosol indirect radiative forcing (IRF), which characterizes how aerosols alter cloud formation and properties, is very sensitive to the preindustrial (PI) aerosol burden. Dimethyl sulfide (DMS), emitted from the ocean, is a dominant natural precursor of non-sea-salt sulfate in the PI and pristine present-day (PD) atmospheres. Here we revisit the atmospheric oxidation chemistry of DMS, particularly under pristine conditions, and its impact on aerosol IRF. Based on previous laboratory studies, we expand the simplified DMS oxidation scheme used in the Community Atmospheric Model version 6 with chemistry (CAM6-chem) to capture the OH-addition pathway and the H-abstraction pathway and the associated isomerization branch. These additional oxidation channels of DMS produce several stable intermediate compounds, e.g., methanesulfonic acid (MSA) and hydroperoxymethyl thioformate (HPMTF), delay the formation of sulfate, and, hence, alter the spatial distribution of sulfate aerosol and radiative impacts. The expanded scheme improves the agreement between modeled and observed concentrations of DMS, MSA, HPMTF, and sulfate over most marine regions, based on the NASA Atmospheric Tomography (ATom), the Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA), and the Variability of the American Monsoon Systems (VAMOS) Ocean-Cloud-Atmosphere-Land Study Regional Experiment (VOCALS-REx) measurements. We find that the global HPMTF burden and the burden of sulfate produced from DMS oxidation are relatively insensitive to the assumed isomerization rate, but the burden of HPMTF is very sensitive to a potential additional cloud loss. We find that global sulfate burden under PI and PD emissions increase to 412 Gg S (+29 %) and 582 Gg S (+8.8 %), respectively, compared to the standard simplified DMS oxidation scheme. The resulting annual mean global PD direct radiative effect of DMS-derived sulfate alone is −0.11 W m−2. The enhanced PI sulfate produced via the gas-phase chemistry updates alone dampens the aerosol IRF as anticipated (−2.2 W m−2 in standard versus −1.7 W m−2, with updated gas-phase chemistry). However, high clouds in the tropics and low clouds in the Southern Ocean appear particularly sensitive to the additional aqueous-phase pathways, counteracting this change (−2.3 W m−2). This study confirms the sensitivity of aerosol IRF to the PI aerosol loading and the need to better understand the processes controlling aerosol formation in the PI atmosphere and the cloud response to these changes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Light Absorption by Brown Carbon over the South-East Atlantic Ocean

Biomass burning emissions often contain brown carbon (BrC), which represents a large family of light-absorbing organics that is chemically complex and therefore difficult to estimate their absorption of incoming solar radiation, resulting in large uncertainties in the estimation of the global direct radiative effect of aerosols. Here we investigate the contribution of BrC to the total light absorption of biomass burning aerosols over the South-East Atlantic Ocean with different optical models utilizing a suite of airborne measurements from the ORACLES 2018 campaign by introducing an effective refractive index of black carbon (BC), m eBC = n eBC +ik eBC , that accounts for all possible absorbing components at 660 nm wavelength to facilitate the attribution of absorption at shorter wavelengths. Most values of the imaginary part of the refractive index, k eBC , were larger than those commonly used for BC from biomass burning emissions, suggesting contributions from absorbers beyond BC at 660 nm. The TEM-EDX single particle analysis further suggests that these long-wavelength absorbers might include iron oxides, as iron is found to be present only when large values of k eBC are derived. Using this effective BC refractive index, we find that the contribution of BrC to the total absorption at 470 nm (R BrC,470 ) ranges from ~5–15 %, with the organic aerosol mass absorption coefficient (MAC OA,470 ) at this wavelength ranging from 0.25 ± 0.34 m 2 g -1 to 0.43 ± 0.12 m 2 g -1 . The core-shell model yielded much higher estimates of MAC OA,470 and R BrC,470 than homogeneous mixing models, underscoring the importance of model treatment. Another key finding was that estimates of the BrC contribution at 470 nm from the commonly used AAE (absorption Ångström exponent) attribution method (< 5 %) are much lower than the BrC contribution estimates (R BrC,470 ) using our new methodology that accounts for contributions from both BrC and non-carbonaceous, long-wavelength absorbers, such as magnetite. Thus, it is recommended that application of any optical properties-based attribution method use absorption coefficients at the longest possible wavelength to minimize the influence of BrC at the long wavelength and to account for potential contributions from other absorbing materials.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Importance of different parameterization changes for the updated dust cycle modeling in the Community Atmosphere Model (version 6.1)

Abstract. The Community Atmosphere Model (CAM6.1), the atmospheric component of the Community Earth System Model (CESM; version 2.1), simulates the life cycle (emission, transport, and deposition) of mineral dust and its interactions with physio-chemical components to quantify the impacts of dust on climate and the Earth system. The accuracy of such quantifications relies on how well dust-related processes are represented in the model. Here we update the parameterizations for the dust module, including those on the dust emission scheme, the aerosol dry deposition scheme, the size distribution of transported dust, and the treatment of dust particle shape. Multiple simulations were undertaken to evaluate the model performance against diverse observations, and to understand how each update alters the modeled dust cycle and the simulated dust direct radiative effect. The model–observation comparisons suggest that substantially improved model representations of the dust cycle are achieved primarily through the new more physically-based dust emission scheme. In comparison, the other modifications induced small changes to the modeled dust cycle and model–observation comparisons, except the size distribution of dust in the coarse mode, which can be even more influential than that of replacing the dust emission scheme. We highlight which changes introduced here are important for which regions, shedding light on further dust model developments required for more accurately estimating interactions between dust and climate.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1972

Some analyses of the variability of atmospheric parameters at low altitudes significant for aircraft propagation

The results are discussed in terms of the meteorological data acquisition procedures necessary to monitor changes in atmospheric parameters to support aircraft flyover noise measurements and aircraft noise certification programs. The data consisted primarily of sequential radiosonde ascents to approximately 5000 ft spaced some half-hour to an hour apart. The weather covered by the data sample was predominantly that of clear skies and calm-to-light surface winds associated with well established high-pressure systems. Under these restrictive weather conditions, the study shows that the largest variabilities in temperature and humidity occur during the early morning hours resulting from the effects of direct solar heating of the surface. These rapid changes apparently do not penetrate above approximately 1000 ft. In the late morning hours, the atmosphere appears to become stabilized so that net changes in temperatures and relative humidities at all levels are insignificant even in time periods exceeding three hours. By noon, however, turbulent fluctuations in surface wind and the wind speed itself increase to levels which would make the microphone recording of acoustic signals in the field difficult.

Chang, D. T.↗
NASA NTRS1972

Development of gas-pressure bonding process for air-cooled turbine blades

An investigation was conducted on the application of gas-pressure bonding to the joining of components for convectively cooled turbine blades and vanes. A processing procedure was established for joining the fins of Udimet 700 and TD NiCr sheet metal airfoil shells to cast B1900 struts without the use of internal support tooling. Alternative methods employing support tooling were investigated. Testing procedures were developed and employed to determine shear strengths and internal burst pressures of flat and cylindrical bonded finned shell configurations at room temperature and 1750 F. Strength values were determined parallel and transverse to the cooling fin direction. The effect of thermal cycles from 1750 F to room temperature on strength was also investigated.

Meiners, K. E.↗
NASA NTRS1972

Metal-poor stars. IV - The evolution of red giants.

Detailed evolutionary calculations for six Population-II red giants are presented. The first five of these models are followed from the zero age main sequence to the onset of the helium flash. The sixth model allows the effect of direct electron-neutrino interactions to be estimated. The updated input physics and evolutionary code are described briefly. The results of the calculations are presented in a manner pertinent to later stages of evolutions and suitable for comparison with observations.

Rood, R. T.↗
NASA NTRS1973

Observations of interactions between interplanetary and geomagnetic fields

Magnetospheric effects associated with variations of the north-south component of the interplanetary magnetic field are examined in light of recent recent experimental and theoretical results. Although the occurrence of magnetospheric substorms is statistically related to periods of southward interplanetary magnetic field, the details of the interaction are not understood. In particular, attempts to separate effects resulting directly from the interaction between the interplanetary and geomagnetic fields from those associated with substorms have produced conflicting results. The transfer of magnetic flux from the dayside to the nightside magnetosphere is evidenced by equatorward motion of the polar cusp and increases of the magnetic energy density in the lobes of the geomagnetic tail. The formation of a macroscopic X-type neutral line at tail distances less than 35 R sub E appears to be a substorm phenomenon.

Burch, J. L.↗
NASA NTRS1974

Geomagnetic background events observed by Uhuru

Problems due to sporadic background events observed by Uhuru (Small Astronomy Satellite - A) do not compromise the study of discrete X-ray sources. Nevertheless, direct particle effects and auroral type X-ray events in the atmosphere may occasionally occur. Therefore, even on the geomagnetic equator, an experiment must be prepared to recognize and eliminate such events when the ultimate level of sensitivity is desired. The test equipment contained in the satellite and the orbital mechanics of Small Astronomy Satellite - A are described. The sporadic events which were observed by the satellite are analyzed.

Schwartz, D. A.↗
NASA NTRS1974

Observations of interactions between interplanetary and geomagnetic fields

Magnetospheric effects associated with variations of the north-south component of the interplanetary magnetic field (IMF) are examined in light of recent experimental and theoretical results. Although the occurrence of magnetospheric substorms is statistically related to periods of southward IMF, the details of the interaction are not understood. In particular, attempts to separate effects resulting directly from the interaction between interplanetary and geomagnetic fields from those associated with substorms have produced conflicting results. It is possible, however, to say with some assurance that the transfer of magnetic flux from the dayside to the nightside magnetosphere, as evidenced by equatorward motion of the polar cusp and increases of the magnetic energy density in the lobes of the geomagnetic tail, is a direct consequence of the southward IMF. On the other hand, the formation of a macroscopic X-type neutral line at tail distances less than 35 earth radii appears to be a substorm phenomenon.

Burch, J. L.↗
NASA NTRS1975

A catalog of atmospheric densities from the drag on five balloon satellites

A catalog of atmospheric densities derived for the drag on five balloon satellites is presented. Much of the catalog was based on precisely reduced Baker-Nunn observations and, for that reason, provides much improved time resolution. The effect of direct solar radiation pressure was precisely evaluated, and that of terrestrial radiation pressure was included in every case. The interval covered for each satellite varies between 3.1 and 7.6 years, with the data extending from early 1961 to early 1973.

Jacchia, L. G.↗