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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

Microbial Diversity Analysis of the Bacterial and Archaeal Population in Present Day Stromatolites

Stromatolites are layered sedimentary structures resulting from microbial mat communities that remove carbon dioxide from their environment and biomineralize it as calcium carbonate. Although prevalent in the fossil record, stromatolites are rare in the modem world and are only found in a few locations including Highbome Cay in the Bahamas. The stromatolites found at this shallow marine site are analogs to ancient microbial mat ecosystems abundant in the Precambrian period on ancient Earth. To understand how stromatolites form and develop, it is important to identify what microorganisms are present in these mats, and how these microbes contribute to geological structure. These results will provide insight into the molecular and geochemical processes of microbial communities that prevailed on ancient Earth. Since stromatolites are formed by lithifying microbial mats that are able to mineralize calcium carbonate, understanding the biological mechanisms involved may lead to the development of carbon sequestration technologies that will be applicable in human spaceflight, as well as improve our understanding of global climate and its sustainability. The objective of my project was to analyze the archaeal and bacterial dIversity in stromatolites from Highborn Cay in the Bahamas. The first step in studying the molecular processes that the microorganisms carry out is to ascertain the microbial complexity within the mats, which includes identifying and estimating the numbers of different microbes that comprise these mats.

Ortega, Maya C.↗
NASA NTRS2023

Unusually Long Path Length for a Nearly Scatter-Free Solar Particle Event Observed By Solar Orbiter at 0.43 au

Context. After their acceleration and release at the Sun, solar energetic particles (SEPs) are injected into the interplanetary medium and are bound to the interplanetary magnetic field (IMF) by the Lorentz force. The expansion of the IMF close to the Sun focuses the particle pitch-angle distribution, and scattering counteracts this focusing. Solar Orbiter observed an unusual solar particle event on 9 April 2022 when it was at 0.43 astronomical units (au) from the Sun. Aims. We show that the inferred IMF along which the SEPs traveled was about three times longer than the nominal length of the Parker spiral and provide an explanation for this apparently long path. Methods. We used velocity dispersion analysis (VDA) information to infer the spiral length along which the electrons and ions traveled and infer their solar release times and arrival direction. Results. The path length inferred from VDA is approximately three times longer than the nominal Parker spiral. Nevertheless, the pitch-angle distribution of the particles of this event is highly anisotropic, and the electrons and ions appear to be streaming along the same IMF structures. The angular width of the streaming population is estimated to be approximately 30 degrees. The highly anisotropic ion beam was observed for more than 12 h. This may be due to the low level of fluctuations in the IMF, which in turn is very probably due to this event being inside an interplanetary coronal mass ejection The slow and small rotation in the IMF suggests a flux-rope structure. Small flux dropouts are associated with very small changes in pitch angle, which may be explained by different flux tubes connecting to different locations in the flare region. Conclusions. The unusually long path length along which the electrons and ions have propagated virtually scatter-free together with the short-term flux dropouts offer excellent opportunities to study the transport of SEPs within interplanetary structures. The 9 April 2022 solar particle event offers an especially rich number of unique observations that can be used to limit SEP transport models.

Robert F. Wimmer-Schweingruber↗
NASA NTRS1973

Helium excitation and structure of quiescent solar prominences

The theoretical and observed level populations are compared. These levels are: helium 2P3, hydrogen second, ionized helium fourth ones. The obtained results are as follows: (1) helium, hydrogen, and metals may be emitted by the same filaments; (2) bright quiescent prominence filaments have electron temperature and electron density in the line of sight near T sub e = 7000 deg, n sub e = 10 to the 12th power, alpha = 0.0001; (3) under these conditions the average effective thickness is 5 million hence quiescent prominences have a fine filamentary structure: (4) the conditions in the interfilament areas are T sub e = 20,000 to 70,000 deg, n sub e = 10 to the 10th power to 10 to the 11th power/cu cm.

Mordzhenko, N. N.↗
NASA NTRS1996

A Conservation Strategy for the Florida Scrub-Jay on John F. Kennedy Space Center/Merritt Island National Wildlife Refuge: An Initial Scientific Basis for Recovery

The Florida Scrub-Jay (Aphelocoma coerulescens) is an indicator of ecosystem integrity of Florida scrub, an endangered ecosystem that requires frequent fire. One of the largest populations of this federally threatened species occurs on John F. Kennedy Space Center/Merritt Island National Wildlife Refuge. Population trends were predicted using population modeling and field data on reproduction and survival of Florida Scrub-Jays collected from 1988 - 1995. Analyses of historical photography indicated that habitat suitability has been declining for 30 years. Field data and computer simulations suggested that the population declined by at least 40% and will decline by another 40% in 1 0 years, if habitat management is not greatly intensified. Data and computer simulations suggest that habitat suitability cannot deviate greatly from optimal for the jay population to persist. Landscape trajectories of vegetation structure, responsible for declining habitat suitability, are associated with the disruption of natural fire regimes. Prescribed fire alone can not reverse the trajectories. A recovery strategy was developed, based on studies of Florida Scrub-Jays and scrub vegetation. A reserve design was formulated based on conservation science principles for scrub ecosystems. The strategy emphasizes frequent fire to restore habitat, but includes mechanical tree cutting for severely degraded areas. Pine thinning across large areas can produce rapid increases in habitat quality. Site-specific strategies will need to be developed, monitored, and modified to achieve conditions suitable for population persistence.

Breininger, D. R.↗
NASA NTRS1974

Coronal structure and the solar wind

Aspects concerning the open coronal structure and geomagnetic disturbances are considered along with the general coronal emission characteristics and relations between the open coronal structure and the interplanetary field. The nonstatistical indicators of coronal structure are examined and questions are investigated regarding the accuracy obtained in the determination of the emission latitude and longitude in the high corona for plasma, fields, and particles. Attention is given to the problem of particle population organization by low-coronal neutral line structures in the absence of a high coronal polarity structure.

Roelof, E. C.↗
DOE OSTI2024

Exciton polaron formation and hot-carrier relaxation in rigid Dion–Jacobson-type two-dimensional perovskites

The efficiency of two-dimensional Dion–Jacobson-type materials relies on the complex interplay between electronic and lattice dynamics; however, questions remain about the functional role of exciton–phonon interactions. Here we establish the robust polaronic nature of the excitons in these materials at room temperature by combining ultrafast spectroscopy and electronic structure calculations. We show that polaronic distortion is associated with low-frequency (30–60 cm –1 ) lead iodide octahedral lattice motions. More importantly, we discover how targeted ligand modification of this two-dimensional perovskite structure manipulates exciton–phonon coupling, exciton polaron population and carrier cooling. At high excitation density, stronger exciton–phonon coupling increases the hot-carrier lifetime, forming a hot-phonon bottleneck. Furthermore, our study provides detailed insight into the exciton–phonon coupling and its role in carrier cooling in two-dimensional perovskites relevant for developing emerging hybrid semiconductor materials with tailored properties.

36 MATERIALS SCIENCE↗
NASA NTRS2010

Modeling of LEO Orbital Debris Populations in Centimeter and Millimeter Size Regimes

The building of the NASA Orbital Debris Engineering Model, whether ORDEM2000 or its recently updated version ORDEM2010, uses as its foundation a number of model debris populations, each truncated at a minimum object-size ranging from 10 micron to 1 m. This paper discusses the development of the ORDEM2010 model debris populations in LEO (low Earth orbit), focusing on centimeter (smaller than 10 cm) and millimeter size regimes. Primary data sets used in the statistical derivation of the cm- and mm-size model populations are from the Haystack radar operated in a staring mode. Unlike cataloged objects of sizes greater than approximately 10 cm, ground-based radars monitor smaller-size debris only in a statistical manner instead of tracking every piece. The mono-static Haystack radar can detect debris as small as approximately 5 mm at moderate LEO altitudes. Estimation of millimeter debris populations (for objects smaller than approximately 6 mm) rests largely on Goldstone radar measurements. The bi-static Goldstone radar can detect 2- to 3-mm objects. The modeling of the cm- and mm-debris populations follows the general approach to developing other ORDEM2010-required model populations for various components and types of debris. It relies on appropriate reference populations to provide necessary prior information on the orbital structures and other important characteristics of the debris objects. NASA's LEO-to-GEO Environment Debris (LEGEND) model is capable of furnishing such reference populations in the desired size range. A Bayesian statistical inference process, commonly adopted in ORDEM2010 model-population derivations, changes a priori distribution into a posteriori distribution and thus refines the reference populations in terms of data. This paper describes key elements and major steps in the statistical derivations of the cm- and mm-size debris populations and presents results. Due to lack of data for near 1-mm sizes, the model populations of 1- to 3.16-mm objects are an empirical extension from larger debris. The extension takes into account the results of micro-debris (from 10 micron to 1 mm) population modeling that is based on shuttle impact data, in the hope of making a smooth transition between micron and millimeter size regimes. This paper also includes a brief discussion on issues and potential future work concerning the analysis and interpretation of Goldstone radar data.

Xu, Y.-L.↗
NASA NTRS1997

The Structure of Active Galactic Nuclei

We are continuing our systematic investigation of the nuclear structure of nearby active galactic nuclei (AGN). Upon completion, our study will characterize hypothetical constructs such as narrow-line clouds, obscuring tori, nuclear gas disks. and central black holes with physical measurements for a complete sample of nearby AGN. The major scientific goals of our program are: (1) the morphology of the NLR; (2) the physical conditions and dynamics of individual clouds in the NLR; (3) the structure and physical conditions of the warm reflecting gas; (4) the structure of the obscuring torus; (5) the population and morphology of nuclear disks/tori in AGN; (6) the physical conditions in nuclear disks; and (7) the masses of central black holes in AGN. We will use the Hubble Space Telescope (HST) to obtain high-resolution images and spatially resolved spectra. Far-UV spectroscopy of emission and absorption in the nuclear regions using HST/FOS and the Hopkins Ultraviolet Telescope (HUT) will help establish physical conditions in the absorbing and emitting gas. By correlating the dynamics and physical conditions of the gas with the morphology revealed through our imaging program, we will be able to examine mechanisms for fueling the central engine and transporting angular momentum. The kinematics of the nuclear gas disks may enable us to measure the mass of the central black hole. Contemporaneous X-ray observations using ASCA will further constrain the ionization structure of any absorbing material. Monitoring of variability in the UV and X-ray absorption will be used to determine the location of the absorbing gas, possibly in the outflowing warm reflecting gas, or the broad-line region, or the atmosphere of the obscuring torus. Supporting ground-based observations in the optical, near-IR, imaging polarimetry, and the radio will complete our picture of the nuclear structures. With a comprehensive survey of these characteristics in a complete sample of nearby AGN, our conclusions should be more reliably extended to AGN as a class.

Kriss, Gerard A.↗
DOE OSTI2022

A theoretical investigation of the effect of Ga alloying on thermodynamic stability, electronic-structure, and oxidation resistance of Ti 2 AlC MAX phase

We present a systematic investigation of thermodynamic stability, phase-reaction, and chemical activity of Al containing disordered Ti 2 (Al-Ga)C MAX phases using machine-learning driven high-throughput framework to understand the oxidation resistance behavior with increasing temperature and exposure to static oxygen. The A-site (at Al) disordering of Ti 2 AlC with Ga shows significant change in the chemical activity of Al with increasing temperature and exposure to static oxygen, which is expected to enable surface segregation of Al, thereby, the formation of Al 2 O 3 and improved oxidation resistance. We performed in-depth convex hull analysis of ternary Ti-Al-C, Ti-Ga-C, and Ti-Al-Ga-C based MAX phase, and provide detailed contribution arising from electronic, chemical and vibrational entropies. The thermodynamic analysis shows change in the Gibbs formation enthalpy (ΔG form ) at higher temperatures, which implies an interplay of temperature-dependent enthalpy and entropic contributions in oxidation resistance Ga doped Ti 2 AlC MAX phases. A detailed electronic structure and chemical bonding analysis using crystal orbital Hamilton population method reveal the origin of change in phases stability and in oxidation resistance in disorder Ti2(Al 1-x Ga x )C MAX phases. Our electronic structure analysis correlate well with the change in oxidation resistance of Ga doped MAX phases. We believe our study provides a useful guideline to understand to role of alloying on electronic, thermodynamic, and oxidation related mechanisms of bulk MAX phases, which can work as a precursor to understand oxidation behavior of twodimensional MAX phases, i.e., MXenes (transition metal carbides, carbonitrides and nitrides).

36 MATERIALS SCIENCE↗
NASA NTRS1998

Assessment of changes in microbial community structure during operation of an ammonia biofilter with molecular tools

Biofiltration has been used for two decades to remove odors and various volatile organic and inorganic compounds in contaminated off-gas streams. Although biofiltration is widely practiced, there have been few studies of the bacteria responsible for the removal of air contaminants in biofilters. In this study, molecular techniques were used to identify bacteria in a laboratory-scale ammonia biofilter. Both 16S rRNA and ammonia monooxygenase (amoA) genes were used to characterize the heterotrophic and ammonia-oxidizing bacteria collected from the biofilter during a 102-day experiment. The overall diversity of the heterotrophic microbial population appeared to decrease by 38% at the end of the experiment. The community structure of the heterotrophic population also shifted from predominantly members of two subdivisions of the Proteobacteria (the beta and gamma subdivisions) to members of one subdivision (the gamma subdivision). An overall decrease in the diversity of ammonia monooxygenase genes was not observed. However, a shift from groups dominated by organisms containing Nitrosomonas-like and Nitrosospira-like amoA genes to groups dominated by organisms containing only Nitrosospira-like amoA genes was observed. In addition, a new amoA gene was discovered. This new gene is the first freshwater amoA gene that is closely affiliated with Nitrosococcus oceanus and the particulate methane monooxygenase gene from the methane oxidizers belonging to the gamma subdivision of the Proteobacteria.

NASA Discipline Life Support Systems↗
NASA NTRS2012

Phonon Mechanisms for Excess Heat Capacity in Membrane Isolated Superconducting Transition Edge Sensors

The mechanics of phonon transport in membrane-isolated superconducting transition edge sensors is discussed. Surveys of the literature on this type of sensor reveal a number of designs with excess heat capacity and a smaller subset that exhibit decoupling of the superconducting film from the underlying dielectric. A simple model is addressed in which the membrane, despite its thermal isolation, fails to fully thermalize to the temperature of the metal film heating it. A population of phonons exists which is emitted by the metal film, partially thermalizes the dielectric and is then reabsorbed in the metal film without escaping from the device structure to the thermal bath. The size of this population and its contribution to the heat capacity are estimated for several device scenarios.

Chervenak, James A.↗
NASA NTRS2012

Phonon Mechanisms for Excess Heat Capacity in Membrane Isolated Superconducting Transition Edge Sensors

The mechanics of phonon transport in membrane-isolated superconducting transition edge sensors is discussed. Surveys of the literature on this type of sensor reveal a number of designs with excess heat capacity and a smaller subset that exhibit decoupling of the superconducting film from the underlying dielectric. A simple model is addressed in which the membrane, despite its thermal isolation, fails to fully thermalize to the temperature of the metal film heating it. A population of phonons exists which is emitted by the metal film, partially thermalizes the dielectric and is then reabsorbed in the metal film without escaping from the device structure to the thermal bath. The size of this population and its contribution to the heat capacity are estimated for several device scenarios.

Chervenak, James A.↗
DOE OSTI2020

Training Population Optimization for Genomic Selection in Miscanthus

Miscanthus is a perennial grass with potential for lignocellulosic ethanol production. To ensure its utility for this purpose, breeding efforts should focus on increasing genetic diversity of the nothospecies Miscanthus × giganteus (M×g) beyond the single clone used in many programs. Germplasm from the corresponding parental species M. sinensis (Msi) and M. sacchariflorus (Msa) could theoretically be used as training sets for genomic prediction of M×g clones with optimal genomic estimated breeding values for biofuel traits. To this end, we first showed that subpopulation structure makes a substantial contribution to the genomic selection (GS) prediction accuracies within a 538-member diversity panel of predominately Msi individuals and a 598-member diversity panels of Msa individuals. We then assessed the ability of these two diversity panels to train GS models that predict breeding values in an interspecific diploid 216-member M×g F2 panel. Low and negative prediction accuracies were observed when various subsets of the two diversity panels were used to train these GS models. To overcome the drawback of having only one interspecific M×g F2 panel available, we also evaluated prediction accuracies for traits simulated in 50 simulated interspecific M×g F2 panels derived from different sets of Msi and diploid Msa parents. The results revealed that genetic architectures with common causal mutations across Msi and Msa yielded the highest prediction accuracies. Ultimately, these results suggest that the ideal training set should contain the same causal mutations segregating within interspecific M×g populations, and thus efforts should be undertaken to ensure that individuals in the training and validation sets are as closely related as possible.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Quantifying radial migration in the Milky Way: inefficient over short time-scales but essential to the very outer disc beyond ∼15 kpc

ABSTRACT Stellar radial migration plays an important role in reshaping a galaxy’s structure and the radial distribution of stellar population properties. In this work, we revisit reported observational evidence for radial migration and quantify its strength using the age–[Fe/H] distribution of stars across the Milky Way with APOGEE data. We find a broken age–[Fe/H] relation in the Galactic disc at r > 6 kpc, with a more pronounced break at larger radii. To quantify the strength of radial migration, we assume stars born at each radius have a unique age and metallicity, and then decompose the metallicity distribution function (MDF) of mono-age young populations into different Gaussian components that originated from various birth radii at rbirth < 13 kpc. We find that, at ages of 2 and 3 Gyr, roughly half the stars were formed within 1 kpc of their present radius, and very few stars (<5 per cent) were formed more than 4 kpc away from their present radius. These results suggest limited short-distance radial migration and inefficient long-distance migration in the Milky Way during the last 3 Gyr. In the very outer disc beyond 15 kpc, the observed age–[Fe/H] distribution is consistent with the prediction of pure radial migration from smaller radii, suggesting a migration origin of the very outer disc. We also estimate intrinsic metallicity gradients at ages of 2 and 3 Gyr of −0.061 and −0.063 dex kpc−1, respectively.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Evolutionary inverse design of defects at graphene 2D lateral interfaces

Grain boundaries (GBs) in two-dimensional (2D) materials often have a profound impact on various material properties from mechanical to optical to electronic, yet predicting all possible GB formations is a challenge. Here, we introduce a workflow based on an evolutionary algorithm for exploring possible GBs formed at a lateral 2D interface. In a departure from conventional genetic algorithm based structure optimization methods, we perform genetic operations in the near interface region that allow us to be computationally efficient. We benchmark our method using graphene, which is a well-studied 2D material with a wide range of point defects. An empirical potential was used as the surrogate of the evolutionary search. More than 11.5 × 106 structures in total were evaluated for 128 GB orientations, and for each orientation, the ten best structures are recorded. A subset of low energy GBs predicted by empirical potential based search was relaxed by first-principles calculations and used to validate the energetic rank order. With the validated formation energy, we rank-ordered the best 128 GB structures and performed a detailed statistical analysis of primitive rings to find the correlation between the ring distribution and the formation energy. We found that for low energy GBs (below 0.5eV/Å), Stone–Wales defects will dominate, while structures with a higher energy (0.5–1.1eV/Å) show an increasing population of heptagons and nine-membered rings to form seven-nine defect pairs. For structures with energy higher than 1.1eV/Å, the percentage of octagons and nine-membered rings increases, which indicates that these two types of rings are not energetically favorable. Our proposed methodology is broadly applicable to explore defective low dimensional materials and represents a powerful tool that enables a systematic search of GBs of lateral interfaces for 2D materials.

Zhang, Jianan↗
DOE OSTI2021

Determining Partial Atomic Charges for Liquid Water: Assessing Electronic Structure and Charge Models

Partial atomic charges provide an intuitive and efficient way to describe the charge distribution and the resulting intermolecular electrostatic interactions in liquid water. Many charge models exist and it is unclear which model provides the best assignment of partial atomic charges in response to the local molecular environment. In this work, we systematically scrutinize various electronic structure methods and charge models (Mulliken, natural population analysis, CHelpG, RESP, Hirshfeld, Iterative Hirshfeld, and Bader) by evaluating their performance in predicting the dipole moments of isolated water, water clusters, and liquid water as well as charge transfer in the water dimer and liquid water. Although none of the seven charge models is capable of fully capturing the dipole moment increase from isolated water (1.85 D) to liquid water (about 2.9 D), the Iterative Hirshfeld method performs best for liquid water, reproducing its experimental average molecular dipole moment, yielding a reasonable amount of intermolecular charge transfer, and showing modest sensitivity to the local water environment. The performance of the charge model is dependent on the choice of the density functional and the quantum treatment of the environment. The computed molecular dipole moment of water generally increases with the percentage of the exact Hartree–Fock exchange in the functional, whereas the amount of charge transfer between molecules decreases. For liquid water, including two full solvation shells of surrounding water molecules (within about 5.5 Å of the central water) in the quantum chemical calculation converges the charges of the central water molecule. Furthermore, our final pragmatic quantum chemical charge-assigning protocol for liquid water is the Iterative Hirshfeld method with M06-HF/aug-cc-pVDZ and a quantum region cutoff radius of 5.5 Å.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗