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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Complete Genome Sequence of Human Oral Saccharibacterium “ Candidatus Nanosynbacter sp. HMT352” Strain KC1

“Cand. Nanosynbacter sp. HMT352” strain KC1 is an ectoparasitic saccharibacterium/TM7 that was co-isolated from a human saliva sample with its obligate bacterial host, Schaalia odontolytica. The genome of strain KC1 enables studies of the mechanisms and evolution of interspecies interactions and, for oral species, studies of their potential roles in health and disease.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Inferring microbial co-occurrence networks from amplicon data: a systematic evaluation

Microbes commonly organize into communities consisting of hundreds of species involved in complex interactions with each other. 16S ribosomal RNA (16S rRNA) amplicon profiling provides snapshots that reveal the phylogenies and abundance profiles of these microbial communities. These snapshots, when collected from multiple samples, can reveal the co-occurrence of microbes, providing a glimpse into the network of associations in these communities. However, the inference of networks from 16S data involves numerous steps, each requiring specific tools and parameter choices. Moreover, the extent to which these steps affect the final network is still unclear. In this study, we perform a meticulous analysis of each step of a pipeline that can convert 16S sequencing data into a network of microbial associations. Through this process, we map how different choices of algorithms and parameters affect the co-occurrence network and identify the steps that contribute substantially to the variance. We further determine the tools and parameters that generate robust co-occurrence networks and develop consensus network algorithms based on benchmarks with mock and synthetic data sets. The Microbial Co-occurrence Network Explorer, or MiCoNE (available at https://github.com/segrelab/MiCoNE) follows these default tools and parameters and can help explore the outcome of these combinations of choices on the inferred networks. We envisage that this pipeline could be used for integrating multiple data sets and generating comparative analyses and consensus networks that can guide our understanding of microbial community assembly in different biomes.

16S rRNA↗
DOE OSTI2020

Electrochemical Behavior of Copper Ion Complexed with Nanoparticle Organic Hybrid Materials

Nanoscale Organic Hybrid Materials (NOHMs) have unique properties that show potential for their use as novel electrolytes that can interact with redox active species. In this work, we probe the effects of adding poly(ethyleneimine)-based NOHMs (NOHM-I-PEI) on copper ion electrochemical reactions. As NOHM-I-PEI is added to a solution containing Cu(II), the voltammetric peak current decreases. This is likely caused by strong complex formation between the PEI nitrogen and the copper, similar to complexation observed in solutions of the polymer with copper. Upon copper addition to a NOHM-I-PEI solution, the pH decreases from 10.1, plateauing at pH = 5.3 at ~3:1 N:Cu ratio indicating that Cu(II) displaces protons. The UV–visible spectra exhibit a Cu-PEI peak, the intensity of which levels off at ~2.8 N:Cu. Acid titration of the N-moieties of the PEI reveals three inflections corresponding to N-environments in the PEI. Upon controlling the pH of the solution by buffering, the "sequestration" of Cu(II) is found to occur when there are unprotonated nitrogens present in the NOHM-I-PEI system; this phenomenon is also supported by UV-vis results. Furthermore, this work highlights the potential of and the design of NOHMs to carry charged electroactive species in solutions along with key factors to control for optimal function.

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

Cluster Expansion Analysis of Atomic Order in Li-Ion Battery Cathode Material LiCo y Ni 1-y O 2

A modified cluster-expansion treatment was developed recently to analyze atomic order in LiCo y Ni 1-y O 2 , a model cathode material for Li-ion batteries. In this treatment, referred to as a “spin-atom” cluster expansion, the occupant of a lattice site is identified by its spin state as well as its atomic species. Further, Effective Cluster Interaction (ECI) coefficients are derived from a large training data set (i.e., the set of atomic arrangements for which DFT calculations are performed) which is filtered by an anomaly detection algorithm to eliminate poorly converged DFT calculations. The cluster expansion incorporates Li-Ni (LN) exchange as well as intralayer Co-Ni (CN) exchange. Monte Carlo simulations based on the cluster expansion were applied to the Ni-rich part of the phase diagram. The simulations predict a miscibility gap between y = 0.05 and y = 0.65.

25 ENERGY STORAGE↗
DOE OSTI2021

Microwave Synthetic Routes for Shape-Controlled Catalyst Nanoparticles and Nanocomposites

The use of microwave irradiation for the synthesis of inorganic nanomaterials has recently become a widespread area of research that continues to expand in scope and specialization. The growing demand for nanoscale materials with composition and morphology tailored to specific applications requires the development of facile, repeatable, and scalable synthetic routes that offer a high degree of control over the reaction environment. Microwave irradiation provides unique advantages for developing such routes through its direct interaction with active reaction species, which promotes homogeneous heat distribution, increased reaction rates, greater product quality and yield, and use of mild reaction conditions. Many catalytic nanomaterials such as noble metal nanoparticles and intricate nanocomposites have very limited synthetic routes due to their extreme temperature sensitivity and difficulty achieving homogeneous growth. This work presents recent advances in the use of MW irradiation methods to produce high-quality nanoscale composites with controlled size, morphology, and architecture.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1977

Recent advances in the understanding of electrocatalysis and its relation to surface chemistry

It is pointed out that electrosorption plays a key role in electrocatalysis. Little information is available, however, concerning the chemical nature of the interactions of the adsorbed species with the electrode and even less about the adsorption sites. The role of adsorbed species and surface layers in electrocatalysis is reviewed for several electrode systems. In recent years, some general insights have been achieved into the relationship of hydrogen electrode kinetics to hydrogen adsorption. For a given mechanism the exchange current density is related to the standard free energy of adsorption of the particular type of adsorbed hydrogen upon which the kinetics depend. The oxygen electrode reactions are less well understood than the reactions for the hydrogen electrode. The pronounced irreversibility of the oxygen electrode reactions at moderate temperatures has severely complicated mechanistic studies.

Yeager, E.↗
NASA NTRS1986

A detailed numerical model of a supersonic reacting mixing layer

A current research effort is underway at the NASA Langley Research Center to achieve a detailed understanding of important phenomena present when a supersonic flow undergoes chemical reaction. A computer program has been developed to study the details of such flows. The program has been constructed to consider the multicomponent diffusion and convection of important species, the finite-rate reaction of these species, and the resulting interaction between the fluid mechanics and chemistry. Code results from the analysis of a spatially developing and reacting mixing layer are presented, and conclusions are drawn regarding the structure of the evolving layer and its associated flame.

Drummond, J. P.↗
NASA NTRS1987

Transport properties of ions

The strong long-range interactions between (among) charged species require the inclusion of higher order contributions to the transport properties (viscosity, thermal conductivity, diffusion) of ionized gases than are required for neutral gases. These higher order contributions have been rewritten so that they are given in terms of universal functions which can be tabulated. Tables which provide for the rapid calculation of some higher order contributions to the transport properties of both ions and electrons are given. Some results which are useful for calculating the higher order contributions to the transport properties of mixtures of ions are also given. These results are applied to the ionic species in air at high temperatures.

Biolsi, Louis↗
NASA NTRS1987

A numerical model for supersonic reacting mixing layers

A current research effort is underway at the NASA Langley Research Center to achieve a detailed understanding of important phenomena present when a supersonic flow undergoes a chemical reaction. A computer program has been developed to study the details of such flows. The program has been constructed to consider the multicomponent diffusion and convection of important species, the finite-rate reaction of these species, and the resulting interaction between the fluid mechanics and chemistry. Code results from the analysis of a spatially developing and reacting mixing layer are presented, and conclusions are drawn regarding the structure of the evolving layer and its associated flame.

Drummond, J. Philip↗
NASA NTRS1988

A two-dimensional numerical simulation of a supersonic, chemically reacting mixing layer

Research has been undertaken to achieve an improved understanding of physical phenomena present when a supersonic flow undergoes chemical reaction. A detailed understanding of supersonic reacting flows is necessary to successfully develop advanced propulsion systems now planned for use late in this century and beyond. In order to explore such flows, a study was begun to create appropriate physical models for describing supersonic combustion, and to develop accurate and efficient numerical techniques for solving the governing equations that result from these models. From this work, two computer programs were written to study reacting flows. Both programs were constructed to consider the multicomponent diffusion and convection of important chemical species, the finite rate reaction of these species, and the resulting interaction of the fluid mechanics and the chemistry. The first program employed a finite difference scheme for integrating the governing equations, whereas the second used a hybrid Chebyshev pseudospectral technique for improved accuracy.

Drummond, J. Philip↗
NASA NTRS1992

Dynamics of phase separation of binary fluids

The results of molecular-dynamics studies of surface-tension-dominated spinodal decomposition of initially well-mixed binary fluids in the absence and presence of gravity are presented. The growth exponent for the domain size and the decay exponent of the potential energy of interaction between the two species with time are found to be 0.6 +/- 0.1, inconsistent with scaling arguments based on dimensional analysis.

Ma, Wen-Jong↗
NASA NTRS1992

Quenched carbonaceous composite - Fluorescence spectrum compared to the extended red emission observed in reflection nebulae

The photoluminescence (fluorescence) of a film of the laboratory-synthesized quenched carbonaceous composite (filmy QCC) is shown to have a single broad emission feature with a peak wavelength that varies from 670 to 725 nm, and coincides with that of the extended red emission observed in reflection nebulae. The rapid decay of the filmy QCC red fluorescence in air and of the stable blue fluorescence of the filmy QCC dissolved in liquid Freon suggests that the red fluorescence originates from the interaction of active chemical species and aromatic components in the filmy QCC. A material similar in nature to that of the filmy QCC may be a major component of interstellar dust.

Sakata, Akira↗
NASA NTRS1991

Mixing and mixing enhancement in supersonic reacting flowfields

Propulsion systems planned for use late in this century and beyond will require appropriate physical models for describing supersonic combustion and numerical techniques for solving the model governing equations. A computer program to study these flows is reported which considers the multicomponent diffusion and convection of important chemical species, the finite-rate reaction of these species, and the resulting interaction of the field mechanics and the chemistry. The application of the program to a spatially developing and reacting mixing layer, which serves an an excellent physical model for the mixing and reaction processes that take place in a scramjet combustor, is reported. Several techniques to enhance the fuel-air mixing and growth of that layer and improve its overall combustion efficiency are considered.

Drummond, J. P.↗
NASA NTRS1994

Quasi-biennial oscillations of ozone and diabatic circulation in the equatorial stratosphere

The quasi-biennial oscillation (QBO) in ozone in the equatorial stratosphere is obtained by analyzing the Stratospheric Aerosol and Gas Experiment (SAGE) data from 1984 to 1989. The phase of the ozone QBO in the lower stratosphere is found to precede the zonal wind QBO by several months as opposed to the theoretically expected in-phase relationship between the two. A mechanistic model is developed to explore possible reasons for this disagreement. The model is capable of simulating the actual time evolution of the ozone QBO by introducing the observed zonal wind profile as input. The modeled results confirm the conventional view that the ozone QBO is generated by the vertical ozone advection that is driven to maintain the temperature structure against radiative damping. However, a series of experiments emphasizes the importance of the feedback of the ozone QBO to the diabatic heating through the absorption of solar radiation. Due to this effect, the phase of the ozone QBO shifts up to a quarter cycle ahead and approaches that of the temperature QBO. Because of this inphase relationship, the feedback of the ozone QBO to the diabatic heating acts to compensate for the radiative damping of the temperature structure, thus reducing the magnitude of the induced diabatic circulation. Because the reduction of the magnitude of the vertical motion facilitates downward transport of easterly momentum by the mean flow, this feedback process can help to resolve the insufficiency of the easterly momentum in driving the dynamical QBO in general circulation models (GCMs). It should be emphasized that more sophisticated models that allow for full interaction between the chemical species and radiative and dynamical processes should be developed to improve our understanding of both dynamical and ozone QBOs.

Hasebe, Fumio↗
NASA NTRS1999

Feature Profile Evolution of SiO2 Trenches In Fluorocarbon Plasmas

Etching of silicon microstructures for semiconductor manufacturing in chlorine plasmas has been well characterized. The etching proceeds in a two-part process, where the chlorine neutrals passivate the Si surface and then the ions etch away SiClx. However, etching in more complicated gas mixtures and materials, such as etching of SiO2 in Ar/C4F8, requires knowledge of the ion and neutral distribution functions as a function of angle and velocity, in addition to modeling the gas surface reactions. In order to address these needs, we have developed and integrated a suite of models to simulate the etching process from the plasma reactor level to the feature profile evolution level. This arrangement allows for a better understanding, control, and prediction of the influence of equipment level process parameters on feature profile evolution. We are currently using the HPEM (Hybrid Plasma Equipment Model) and PCMCM (Plasma Chemistry Monte Carlo Model) to generate plasma properties and ion and neutral distribution functions for argon/fluorocarbon discharges in a GEC Reference Cell. These quantities are then input to the feature scale model, Simulation of Profile Evolution by Level Sets (SPELS). A surface chemistry model is used to determine the interaction of the incoming species with the substrate material and simulate the evolution of the trench profile. The impact of change of gas pressure and inductive power on the relative flux of CFx and F to the wafer, the etch and polymerization rates, and feature profiles will be examined. Comparisons to experimental profiles will also be presented.

Hwang, Helen↗
NASA NTRS2010

Iron Homeostasis in Yellowstone National Park Hot Spring Microbial Communities

It has been postulated that life may have originated on Earth, and possibly on Mars, in association with hydrothermal activity and high concentrations of ferrous iron. However, it is not clear how an iron-rich thermal hydrosphere could be hospitable to microbes, since reduced iron appears to stimulate oxidative stress in all domains of life and particularly in oxygenic phototrophs. Therefore, the study of microbial diversity in iron-depositing hot springs (IDHS) and the mechanisms of iron homeostasis and suppression of oxidative stress may help elucidate how Precambrian organisms could withstand the extremely high concentrations of reactive oxygen species (ROS) produced by interaction between environmental Fe(2+) and O2. Proteins and clusters of orthologous groups (COGs) involved in the maintenance of Fe homeostasis found in cyanobacteria (CB) inhabiting environments with high and low [Fe] were main target of this analysis. Preliminary results of the analysis suggest that the Chocolate Pots (CP) microbial community is heavily dominated by phototrophs from the cyanobacteria (CB), Chloroflexi and Chlorobi phyla, while the Mushroom Spring (MS) effluent channel harbors a more diverse community in which Chloroflexi are the dominant phototrophs. It is speculated that CB inhabiting IDHS have an increased tolerance to both high concentrations of Fe(2+) and ROS produced in the Fenton reaction. This hypothesis was explored via a comparative analysis of the diversity of proteins and COGs involved in Fe and redox homeostasis in the CP and MS microbiomes.

Brown, I.↗
NASA NTRS2016

A Physics-Based Approach to Hypersonic Nonequilibrium Chemistry

NASA has undertaken a concerted effort to generate a complete model for the chemical reactions and other collisional processes that take place in the bow shock layer and wake of spacecraft entering the atmospheres of Earth and Mars. This new model is based on first-principles physics calculations: interaction potentials between colliding species obtained from accurate quantum mechanics calculations and reaction rate coefficients and cross sections based on classical mechanics simulations of heavy particle collisions.This presentation will give an introduction to the underlying theory and computational methods used in this work and describe the range of chemical and physical processes that take place in the close vicinity of spacecraft during atmospheric entry. I will also present some of our recent results for reactions involving nitrogen, carbon monoxide and CO2.

Jaffe, Richard↗
NASA NTRS2021

Conjugate Photoelectron Energy Spectra Derived From Coincident FUV and Radio Measurements

We present a method for estimating incident photoelectrons' energy spectra as a function of altitude by combining global scale far-ultraviolet (FUV) and radio-occultation (RO) measurements. This characterization provides timely insights important for accurate interpretation of ionospheric parameters inferred from the recently launched Ionospheric Connection Explorer (ICON) observations. Quantification of photoelectron impact is enabled by the fact that conjugate photoelectrons (CPEs) directly affect FUV airglow emissions but not RO measurements. We demonstrate a technique for estimation of photoelectron fluxes and their spectra by combining coincident ICON and COSMIC2 measurements and show that a significant fraction of ICON-FUV measurements is affected by CPEs during the winter solstice. A comparison of estimated photoelectron fluxes with measured photoelectron spectra is used to gain further insights into the estimation method and reveals consistent values within 10–60 eV. Plain Language Summary The impact of solar radiation on the atmosphere produces highly energetic electrons, which travel freely along the magnetic Earth's field lines from one hemisphere to the other. When these electrons flow from the sunlit side into the nightside hemisphere, they interact with the neutral species and produce noticeable effects in the ionosphere such as an increase in electron temperature and enhancement of airglow emissions. This study presents a method to quantify the amount of precipitating electrons and their energy on a global scale using two recent satellite missions, ICON and COSMIC2. Our results demonstrate that coincident far-ultraviolet (ICON) and radio-occultation (COSMIC2) measurements from space are valuable resources to study precipitating electrons in the ionosphere and their impact on inferring ionospheric plasma parameters.

J M Urco↗