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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 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Metabolic Model of the Nitrogen-Fixing Obligate Aerobe Azotobacter vinelandii Predicts Its Adaptation to Oxygen Concentration and Metal Availability

There is considerable interest in promoting biological nitrogen fixation (BNF) as a mechanism to reduce the inputs of nitrogenous fertilizers in agriculture, but considerable fundamental knowledge gaps still need to be addressed. BNF is catalyzed by nitrogenase, which requires a large input of energy in the form of ATP and low potential electrons. Diazotrophs that respire aerobically have an advantage in meeting the ATP demands of BNF but face challenges in protecting nitrogenase from inactivation by oxygen. Here, we constructed a genome-scale metabolic model of the nitrogen-fixing bacterium Azotobacter vinelandii, which uses a complex respiratory protection mechanism to consume oxygen at a high rate to keep intracellular conditions microaerobic. Our model accurately predicts growth rate under high oxygen and substrate concentrations, consistent with a large electron flux directed to the respiratory protection mechanism. While a partially decoupled electron transport chain compensates for some of the energy imbalance under high-oxygen conditions, it does not account for all substrate intake, leading to increased maintenance rates. Interestingly, the respiratory protection mechanism is required for accurate predictions even when ammonia is supplemented during growth, suggesting that the respiratory protection mechanism might be a core principle of metabolism and not just used for nitrogenase protection. We have also shown that rearrangement of flux through the electron transport system allows A. vinelandii to adapt to different oxygen concentrations, metal availability, and genetic disruption, which cause an ammonia excretion phenotype. Accurately determining the energy balance in an aerobic nitrogen-fixing metabolic model is required for future engineering approaches.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Dependence of Mechanical Stresses in Silicon Nitride Films on the Mode of Plasma-Enhanced Chemical Vapor Deposition

Films of silicon nitride SiN{sub x}, obtained by plasma-enhanced chemical vapor deposition from the monosilane SiH{sub 4} and ammonia NH{sub 3} gases, are widely used in microelectronics and micro- and nanoelectromechanical systems. Residual mechanical stresses and film composition are important characteristics for many applications. The properties of SiN{sub x} films, particularly mechanical stresses and composition, depend largely on the conditions of production, e.g., the ratio of the reacting gas flow rates, the composition of the gas mixture, the power and frequency of the plasma generator, and the temperature and pressure during deposition. Despite the great volume of works on the subject, data regarding the dependence of the properties and composition of SiN{sub x} films on the conditions of production remain sparse. This work considers the effect the ratio of the reacting gas flow rates has on the mechanical stresses and composition of silicon nitride films SiN{sub x} obtained by plasma-enhanced chemical vapor deposition from gaseous mixtures of SiH{sub 4} monosilane and NH{sub 3} ammonia using low-frequency plasma. It is found that when the ratio of the gas flow rates of SiH{sub 4} and NH{sub 3} is raised from 0.016 to 0.25, the compressive mechanical stresses are reduced by 31%, the stoichiometric coefficient falls from 1.40 to 1.20, the refractive index rises from 1.91 to 2.08, the concentration of N–H bonds is reduced by a factor of 7.4, the concentration of Si–H bonds grows by a factor of 8.7, and the concentration of hydrogen atoms is reduced by a factor of 1.5. These results can be used for the controlled production of SiN{sub x} films with such specified characteristics as residual mechanical stresses, refractive index, stoichiometric coefficient, and the concentration of hydrogen-containing bonds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

MBE AlGaN/GaN HEMT Heterostructures with Optimized AlN Buffer on Al{sub 2}O{sub 3}

The effect of molecular-beam epitaxy (MBE) growth conditions on properties of AlN epitaxial layers was investigated resulting in determination of optimal substrate temperature and ammonia flow. Optimal substrate temperature for growth of GaN and AlGaN layers was determined analyzing thermal decomposition rate of GaN. Based on the information, high electron mobility transistor heterostructures were grown on sapphire substrates using both ammonia and combined plasma-assisted/ammonia MBE modes. The highest achieved 2DEG mobility was 1992 cm{sup 2}/(V s) (at 2DEG density of 1.17 × 10{sup 13} cm{sup –2}) which is the current state-of-the-art level.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

On the Adsorption of Gases on Silicon Carbide: Simple Estimates

The adsorption of atomic and molecular nitrogen and ammonia on silicon carbide is considered within two physically different (solid-state and quantum-chemical) approaches. In the solid-state approach, the Haldane–Anderson model is used for the density of states of the SiC 4H and 6H polytypes to demonstrate that the energy of binding to the substrate is 6 and 3 eV for N atoms and N{sub 2} molecule, respectively. In the quantum-chemical approach, the model of a surface diatomic molecule is used to find that the binding energy of atomic nitrogen is 6 and 4 eV for adsorption on the C- and Si-edges, respectively. It has been established that the charge transfer between an adsorbate and the substrate may be neglected in all the considered cases. It has been hypothesized that the dissociation of a molecule with the further passivation of its dangling sp{sup 3}-orbitals with hydrogen atoms takes place for silicon carbide as in the case of ammonia adsorption on Si(100).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Undoped High-Resistance GaN Buffer Layer for AlGaN/GaN High-Electron-Mobility Transistors

It is shown that intentionally undoped high-resistance GaN buffer layers in AlGaN/GaN heterostructures with high electron mobility for transistors can be formed by ammonia molecular beam epitaxy. The GaN growth conditions have been optimized using calculations of the background impurity and point defect concentrations at different ratios of the gallium and ammonia fluxes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

HT-SIP: a semi-automated stable isotope probing pipeline identifies cross-kingdom interactions in the hyphosphere of arbuscular mycorrhizal fungi

Abstract Background Linking the identity of wild microbes with their ecophysiological traits and environmental functions is a key ambition for microbial ecologists. Of many techniques that strive for this goal, Stable-isotope probing—SIP—remains among the most comprehensive for studying whole microbial communities in situ. In DNA-SIP, actively growing microorganisms that take up an isotopically heavy substrate build heavier DNA, which can be partitioned by density into multiple fractions and sequenced. However, SIP is relatively low throughput and requires significant hands-on labor. We designed and tested a semi-automated, high-throughput SIP (HT-SIP) pipeline to support well-replicated, temporally resolved amplicon and metagenomics experiments. We applied this pipeline to a soil microhabitat with significant ecological importance—the hyphosphere zone surrounding arbuscular mycorrhizal fungal (AMF) hyphae. AMF form symbiotic relationships with most plant species and play key roles in terrestrial nutrient and carbon cycling. Results Our HT-SIP pipeline for fractionation, cleanup, and nucleic acid quantification of density gradients requires one-sixth of the hands-on labor compared to manual SIP and allows 16 samples to be processed simultaneously. Automated density fractionation increased the reproducibility of SIP gradients compared to manual fractionation, and we show adding a non-ionic detergent to the gradient buffer improved SIP DNA recovery. We applied HT-SIP to 13 C-AMF hyphosphere DNA from a 13 CO 2 plant labeling study and created metagenome-assembled genomes (MAGs) using high-resolution SIP metagenomics (14 metagenomes per gradient). SIP confirmed the AMF Rhizophagus intraradices and associated MAGs were highly enriched (10–33 atom% 13 C), even though the soils’ overall enrichment was low (1.8 atom% 13 C). We assembled 212 13 C-hyphosphere MAGs; the hyphosphere taxa that assimilated the most AMF-derived 13 C were from the phyla Myxococcota, Fibrobacterota, Verrucomicrobiota, and the ammonia-oxidizing archaeon genus Nitrososphaera . Conclusions Our semi-automated HT-SIP approach decreases operator time and improves reproducibility by targeting the most labor-intensive steps of SIP—fraction collection and cleanup. We illustrate this approach in a unique and understudied soil microhabitat—generating MAGs of actively growing microbes living in the AMF hyphosphere (without plant roots). The MAGs’ phylogenetic composition and gene content suggest predation, decomposition, and ammonia oxidation may be key processes in hyphosphere nutrient cycling.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Design considerations for a Digital Twin built to improve nitrification performance at a water resource recovery facility

A Digital Twin built around Activated Sludge Model No. 1 was deployed at a full-scale water resource recovery facility. Its design included a waste rate recommender system based on automatic scenario analyses, where influent loads and waste rates are varied to determine their impact on nitrification. At the same frequency as these scenario analyses, scheduled auto-calibrations allow for nitrifier maximum specific growth rate (μmax-NITO) soft sensing, the only kinetic parameter shown to require adjustment if the objective is aeration tank effluent ammonia forecasting accuracy. By integrating temperature forecasting over the next three sludge ages, this Digital Twin approach creates opportunities for advancing waste rate decisions in anticipation of seasonal temperature changes, optimizing ammonia control authority under varying influent loads, and furnishing valuable insights for future capital projects requiring nitrifier kinetic understanding and modelling.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Future Recovered Gas Dryer Development (SRTE FY2019 PRDR SR19009)

A manifold was designed and constructed to evaluate the isotopic exchange of deuterium for hydrogen using Pt catalyzed zeolites, deuterated water, and deuterated ammonia. Using varying catalytic loadings on the 5A substrate and real-time RGA monitoring of the effluent stream, isotopic exchange was successfully demonstrated between H 2 and D 2 O or ND 3 . The catalytic isotopic exchange was further verified when compared against an uncatalyzed sample of zeolite, demonstrating little-to-no activity. Based on the experiments performed here, the removal of tritium from tritiated water and tritiated ammonia is possible for future RGD beds using a Pt catalyzed zeolite. Work is still ongoing with the planned manifold improvements and scheduled testing of other catalyzed zeolite substrates.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Outlook on Industrial Requirements for Incorporating Nuclear Energy into Industrial Processes

There is an increasing interest globally and in the U.S. in decarbonizing heavy industrial processes which have large demands for heat and power. Currently these industries primarily use fossil fuels to meet these demands and they include: oil & gas, petroleum refining, chemicals and derivative products manufacturing, iron & steel production, polymers, ammonia and fertilizers, etc. The U.S. DOE Integrated Energy Systems (IES) program seeks to identify and analyze opportunities for integrating and substituting nuclear energy to fulfil these large heat and power demands in a cost competitive and sustainable manner while reducing carbon emissions of the processes by using clean nuclear power. Presently various representatives from a subset of these industrial companies have expressed interest in evaluating the options of integrating future advanced nuclear small modular reactors with their industries. This study is a scoping study to provide an outlook of industrial energy demands and the potential nuclear energy substitution potential. Future work will analyze in a more detailed manner the potential designs for coupling advanced nuclear reactors with various industries. The industrial processes of oil refining, methanol production, pulp and paper, ammonia and chlorine-alkali are described focusing on how heat and power is used within the facilities in the context of identifying nuclear substitution opportunities. The aim is to provide reliable, competitive, and sustainable energy that is clean while reducing carbon emissions and other environmental impacts such as water withdrawals, consumption, and contamination.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Combined TDLAS and chemiluminescence imaging in a flat flame burner operated with NH3/H2 blends

Ammonia is viewed as a viable hydrogen carrier due to favorable storage and transport characteristics. While it can be re-converted to hydrogen at point-of-use via thermal catalytic cracking, direct utilization in combustion systems can result in reduced costs and improved efficiency. A major barrier to this approach is the low flammability and potential for high nitrogen oxide emissions, driven by fuel-bound nitrogen and complex kinetic pathways. While a number of kinetic mechanisms currently exist for simulating ammonia combustion, a major need continues to be direct information about species profiles in easy-to-model systems capable of isolating chemical kinetics from multi-dimensional fluid dynamic effects. This paper reports on recent species measurements made in a flat flame burner using a combined tunable-diode-laser-absorption-spectroscopy (TDLAS) and chemiluminescence imaging approach. Three flame conditions were included representative of NH3/H2 blends, partially cracked NH3 (inc. N2), and 100% NH3 with enhanced air (30% oxygen). Two NIR distributed feedback (DFB) laser diodes were used to determine H2O concentration and temperature (via ratio thermometry) at various radial and axial positions, after which an inverse Abel transform was used to infer centerline values. Companion images were collected using a Princeton Instrument PI-MAX intensified camera equipped with a 105mm UV lens and multiple filter sets targeting OH*, NH*, and NH2* emission. Results were compared to companion Cantera burner-stabilized flame simulations using various kinetic mechanisms. A recent mechanism including excited species chemistry was also included, to investigate whether excited and ground state profiles exhibit significant differences.

ammonia combustion↗
DOE OSTI2018

Investigation of Solar Cooling Cogeneration Plant

The deficiency in the energy for the space cooling is overcome by solar energy. Still the input energy is minimized by integrating both power and cooling cycle in common platform, such as working fluid, component and working parameters. The aqua-ammonia is used in both power cycle and vapor cooling cycle. The generator is common for cycles for the production of ammonia vapor. The analyses are made to find out the operational parameters for the cooling cogeneration cycle with solar as source. The analyses are done for the proposed cycle with various atmosphere temperatures. At absorber concentration of 0.42 and turbine inlet concentration of 0.90, with solar collector exit temperature of 155°C and atmosphere temperature of 30°C the generated power and cooling are 21.88 and 215.79 kW, respectively. The power and cooling output range can alter by varying turbine inlet concentration and temperature.

14 SOLAR ENERGY↗
DOE OSTI2023

Fine-scale evaluation of two standard 16S rRNA gene amplicon primer pairs for analysis of total prokaryotes and archaeal nitrifiers in differently managed soils

The advance of high-throughput molecular biology tools allows in-depth profiling of microbial communities in soils, which possess a high diversity of prokaryotic microorganisms. Amplicon-based sequencing of 16S rRNA genes is the most common approach to studying the richness and composition of soil prokaryotes. To reliably detect different taxonomic lineages of microorganisms in a single soil sample, an adequate pipeline including DNA isolation, primer selection, PCR amplification, library preparation, DNA sequencing, and bioinformatic post-processing is required. Besides DNA sequencing quality and depth, the selection of PCR primers and PCR amplification reactions arguably have the largest influence on the results. This study tested the performance and potential bias of two primer pairs, i.e., 515F (Parada)-806R (Apprill) and 515F (Parada)-926R (Quince) in the standard pipelines of 16S rRNA gene Illumina amplicon sequencing protocol developed by the Earth Microbiome Project (EMP), against shotgun metagenome-based 16S rRNA gene reads. The evaluation was conducted using five differently managed soils. We observed a higher richness of soil total prokaryotes by using reverse primer 806R compared to 926R, contradicting to in silico evaluation results. Both primer pairs revealed various degrees of taxon-specific bias compared to metagenome-derived 16S rRNA gene reads. Nonetheless, we found consistent patterns of microbial community variation associated with different land uses, irrespective of primers used. Total microbial communities, as well as ammonia oxidizing archaea (AOA), the predominant ammonia oxidizers in these soils, shifted along with increased soil pH due to agricultural management. In the unmanaged low pH plot abundance of AOA was dominated by the acid-tolerant NS-Gamma clade, whereas limed agricultural plots were dominated by neutral-alkaliphilic NS-Delta/NS-Alpha clades. This study stresses how primer selection influences community composition and highlights the importance of primer selection for comparative and integrative studies, and that conclusions must be drawn with caution if data from different sequencing pipelines are to be compared.

16S rRNA gene amplicon Illumina sequencing↗
DOE OSTI2020

High Synteny and Sequence Identity between Genomes of Nitrosococcus oceani Strains Isolated from Different Oceanic Gyres Reveals Genome Economization and Autochthonous Clonal Evolution

The ammonia-oxidizing obligate aerobic chemolithoautotrophic gammaproteobacterium, Nitrosococcus oceani, is omnipresent in the world’s oceans and as such important to the global nitrogen cycle. We generated and compared high quality draft genome sequences of N. oceani strains isolated from the Northeast (AFC27) and Southeast (AFC132) Pacific Ocean and the coastal waters near Barbados at the interface between the Caribbean Sea and the North Atlantic Ocean (C-27) with the recently published Draft Genome Sequence of N. oceani Strain NS58 (West Pacific Ocean) and the complete genome sequence of N. oceani C-107, the type strain (ATCC 19707) isolated from the open North Atlantic, with the goal to identify indicators for the evolutionary origin of the species. The genomes of strains C–107, NS58, C-27, and AFC27 were highly conserved in content and synteny, and these four genomes contained one nearly sequence-identical plasmid. The genome of strain AFC132 revealed the presence of genetic inventory unknown from other marine ammonia-oxidizing bacteria such as genes encoding NiFe-hydrogenase and a non-ribosomal peptide synthetase (NRPS)-like siderophore biosynthesis module. Comparative genome analysis in context with the literature suggests that AFC132 represents a metabolically more diverse ancestral lineage to the other strains with C-107 and NS58 potentially being the youngest. The results suggest that the N. oceani species evolved by genome economization characterized by the loss of genes encoding catabolic diversity while acquiring a higher redundancy in inventory dedicated to nitrogen catabolism, both of which could have been facilitated by their rich complements of CRISPR/Cas and Restriction Modification systems.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Jupiter in the Ultraviolet: Acetylene and Ethane Abundances in the Stratosphere of Jupiter from Cassini Observations between 0.15 and 0.19 μm

At wavelengths between 0.15 and 0.19 μm, the far-ultraviolet spectrum of Jupiter is dominated by the scattered solar spectrum, attenuated by molecular absorptions primarily by acetylene and ethane, and to a lesser extent ammonia and phosphine. We describe the development of our radiative transfer code that enables the retrieval of abundances of these molecular species from ultraviolet reflectance spectra. As a proof-of-concept we present an analysis of Cassini Ultraviolet Imaging Spectrograph (UVIS) observations of the disk of Jupiter during the 2000/2001 flyby. The ultraviolet-retrieved acetylene abundances in the upper stratosphere are lower than those predicted by models based solely on infrared thermal emission from the mid-stratosphere observed by the Composite Infrared Spectrometer (CIRS), requiring an adjustment to the vertical profiles above 1 mbar. We produce a vertical acetylene abundance profile that is compatible with both CIRS and UVIS, with reduced abundances at pressures <1 mbar: the 0.1 mbar abundances are 1.21 ± 0.07 ppm for acetylene and 20.8 ± 5.1 ppm for ethane. Finally, we perform a sensitivity study for the JUICE ultraviolet spectrograph, which has extended wavelength coverage out to 0.21 μm, enabling the retrieval of ammonia and phosphine abundances, in addition to acetylene and ethane.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

A Condensation–coalescence Cloud Model for Exoplanetary Atmospheres: Formulation and Test Applications to Terrestrial and Jovian Clouds

A number of transiting exoplanets have featureless transmission spectra that might suggest the presence of clouds at high altitudes. A realistic cloud model is necessary to understand the atmospheric conditions under which such high-altitude clouds can form. In this study, we present a new cloud model that takes into account the microphysics of both condensation and coalescence. Our model provides the vertical profiles of the size and density of cloud and rain particles in an updraft for a given set of physical parameters, including the updraft velocity and the number density of cloud condensation nuclei (CCNs). We test our model by comparing with observations of trade-wind cumuli on Earth and ammonia ice clouds in Jupiter. For trade-wind cumuli, the model including both condensation and coalescence gives predictions that are consistent with observations, while the model including only condensation overestimates the mass density of cloud droplets by up to an order of magnitude. For Jovian ammonia clouds, the condensation–coalescence model simultaneously reproduces the effective particle radius, cloud optical thickness, and cloud geometric thickness inferred from Voyager observations if the updraft velocity and CCN number density are taken to be consistent with the results of moist convection simulations and Galileo probe measurements, respectively. These results suggest that the coalescence of condensate particles is important not only in terrestrial water clouds but also in Jovian ice clouds. Our model will be useful to understand how the dynamics, compositions, and nucleation processes in exoplanetary atmospheres affect the vertical extent and optical thickness of exoplanetary clouds via cloud microphysics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Formation of Methylamine and Ethylamine in Extraterrestrial Ices and Their Role as Fundamental Building Blocks of Proteinogenic α -amino Acids

The –CH–NH{sub 2} moiety represents the fundamental building block of all proteinogenic amino acids, with the cyclic amino acid proline being a special case (–CH–NH– in proline). Exploiting a chemical retrosynthesis, we reveal that methylamine (CH{sub 3}NH{sub 2}) and/or ethylamine (CH{sub 3}CH{sub 2}NH{sub 2}) are essential precursors in the formation of each proteinogenic amino acid. In the present study we elucidate the abiotic formation of methylamine and ethylamine from ammonia (NH{sub 3}) and methane (CH{sub 4}) ices exposed to secondary electrons generated by energetic cosmic radiation in cometary and interstellar model ices. Our experiments show that methylamine and ethylamine are crucial reaction products in irradiated ices composed of ammonia and methane. Using isotopic substitution studies we further obtain valuable information on the specific reaction pathways toward methylamine. The very recent identification of methylamine and ethylamine together with glycine in the coma of 67P/Churyumov–Gerasimenko underlines their potential to the extraterrestrial formation of amino acids.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Uniform Atmospheric Retrieval Analysis of Ultracool Dwarfs. II. Properties of 11 T dwarfs

Brown dwarf spectra are rich in information revealing of the chemical and physical processes operating in their atmospheres. We apply a recently developed atmospheric retrieval tool to an ensemble of late-T dwarf (600–800 K) near-infrared (1–2.5 μ m) spectra. With these spectra we are able to directly constrain the molecular abundances for the first time of H{sub 2}O, CH{sub 4}, CO, CO{sub 2}, NH{sub 3}, H{sub 2}S, and Na+K, surface gravity, effective temperature, thermal structure, photometric radius, and cloud optical depths. We find that ammonia, water, methane, and the alkali metals are present and that their abundances are well constrained in all 11 objects. We find no significant trend in the water, methane, or ammonia abundances with temperature, but find a very strong (>25 σ ) decreasing trend in the alkali metal abundances with decreasing effective temperature, indicative of alkali rainout. As expected from previous work, we also find little evidence for optically thick clouds. With the methane and water abundances, we derive the intrinsic atmospheric metallicity and carbon-to-oxygen ratios. We find in our sample that metallicities are typically subsolar (−0.4 < [ M /H] < 0.1 dex) and carbon-to-oxygen ratios are somewhat supersolar (0.4 < C/O < 1.2), different than expectations from the local stellar population. We also find that the retrieved vertical thermal profiles are consistent with radiative equilibrium over the photospheric regions. Finally, we find that our retrieved effective temperatures are lower than previous inferences for some objects and that some of our radii are larger than expectations from evolutionary models, possibly indicative of unresolved binaries. This investigation and method represent a new and powerful paradigm for using spectra to determine the fundamental chemical and physical processes governing cool brown dwarf atmospheres.

79 ASTRONOMY AND ASTROPHYSICS↗