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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Highly Selective Photoelectroreduction of Carbon Dioxide to Ethanol over Graphene/Silicon Carbide Composites

Using sunlight to produce valuable chemicals and fuels from carbon dioxide (CO 2 ), i.e., artificial photosynthesis (AP) is a promising strategy to achieve solar energy storage and a negative carbon cycle. However, selective synthesis of C 2 compounds with a high CO 2 conversion rate remains challenging for current AP technologies. Here, we performed CO 2 photoelectroreduction over a graphene/silicon carbide (SiC) catalyst under simulated solar irradiation with ethanol (C 2 H 5 OH) selectivity of>99 % and a CO 2 conversion rate of up to 17.1 mmol g cat -1 h -1 with sustained performance. Experimental and theoretical investigations indicated an optimal interfacial layer to facilitate the transfer of photogenerated electrons from the SiC substrate to the few-layer graphene overlayer, which also favored an efficient CO 2 to C 2 H 5 OH conversion pathway.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Modeling separation of lanthanides via heterogeneous ligand binding

Individual lanthanide elements have physical/electronic/magnetic properties that make each useful for specific applications. Several of the lanthanides cations (Ln 3+ ) naturally occur together in the same ores. They are notoriously difficult to separate from each other due to their chemical similarity. Predicting the Ln 3+ differential binding energies (ΔΔE) or free energies (ΔΔG) at different binding sites, which are key figures of merit for separation applications, will help design of materials with lanthanide selectivity. We apply ab initio molecular dynamics (AIMD) simulations and density functional theory (DFT) to calculate ΔΔG for Ln 3+ coordinated to ligands in water and embedded in metal–organic frameworks (MOFs), and ΔΔE for Ln 3+ bonded to functionalized silica surfaces, thus circumventing the need for the computational costly absolute binding (free) energies ΔG and ΔE. Perturbative AIMD simulations of water-inundated simulation cells are applied to examine the selectivity of ligands towards adjacent Ln 3+ in the periodic table. Static DFT calculations with a full Ln 3+ first coordination shell, while less rigorous, show that all ligands examined with net negative charges are more selective towards the heavier lanthanides than a charge-neutral coordination shell made up of water molecules. Amine groups are predicted to be poor ligands for lanthanide-binding. Finally, we also address cooperative ion binding, i.e., using different ligands in concert to enhance lanthanide selectivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Unfolder-based single-stage AC-AC conversion system

An power converter includes an unfolder connected to a three-phase source and has an output connection with a positive terminal, a negative terminal and a neutral terminal. The unfolder creates two unipolar piece-wise sinusoidal DC voltage waveforms offset by a half of a period. A three-input converter connected to the unfolder produces a quasi-sinusoidal output voltage across output terminals. Switches of the converter selectively connect the positive, negative and neutral inputs across the output terminals. A PWM controller controls a first duty ratio and a second duty ratio for the converter based on a phase angle of the source and a modulation index generated from an error signal related to a control variable. The duty ratios are time varying with a fundamental frequency of the source. The modulation index relates to output voltage of the converter, peak voltage or current of the source and/or peak current at the output terminals.

Teeneti, Chakridhar Reddy↗
NASA NTRS1985

Nickel hydrogen bipolar battery electrode design

The preferred approach of the NASA development effort in nickel hydrogen battery design utilizes a bipolar plate stacking arrangement to obtain the required voltage-capacity configuration. In a bipolar stack, component designs must take into account not only the typical design considerations such as voltage, capacity and gas management, but also conductivity to the bipolar (i.e., intercell) plate. The nickel and hydrogen electrode development specifically relevant to bipolar cell operation is discussed. Nickel oxide electrodes, having variable type grids and in thicknesses up to .085 inch are being fabricated and characterized to provide a data base. A selection will be made based upon a system level tradeoff. Negative (hydrpogen) electrodes are being screened to select a high performance electrode which can function as a bipolar electrode. Present nickel hydrogen negative electrodes are not capable of conducting current through their cross-section. An electrode was tested which exhibits low charge and discharge polarization voltages and at the same time is conductive. Test data is presented.

Puglisi, V. J.↗
NASA NTRS2012

Generating Ground Reference Data for a Global Impervious Surface Survey

We are developing an approach for generating ground reference data in support of a project to produce a 30m impervious cover data set of the entire Earth for the years 2000 and 2010 based on the Landsat Global Land Survey (GLS) data set. Since sufficient ground reference data for training and validation is not available from ground surveys, we are developing an interactive tool, called HSegLearn, to facilitate the photo-interpretation of 1 to 2 m spatial resolution imagery data, which we will use to generate the needed ground reference data at 30m. Through the submission of selected region objects and positive or negative examples of impervious surfaces, HSegLearn enables an analyst to automatically select groups of spectrally similar objects from a hierarchical set of image segmentations produced by the HSeg image segmentation program at an appropriate level of segmentation detail, and label these region objects as either impervious or nonimpervious.

Image Processing↗
DOE OSTI2024

Osteocalcin binds to a GPRC6A Venus fly trap allosteric site to positively modulate GPRC6A signaling

GPRC6A, a member of the Family C G-protein coupled receptors, regulates energy metabolism and sex hormone production and is activated by diverse ligands, including cations, L-amino acids, the osteocalcin (Ocn) peptide and the steroid hormone testosterone. We sought a structural framework for the ability of multiple distinct classes of ligands to active GPRC6A. We created a structural model of GPRC6A using Alphafold2. Using this model we explored a putative orthosteric ligand binding site in the bilobed Venus fly trap (VFT) domain of GPRC6A and two positive allosteric modulator (PAM) sites, one in the VFT and the other in the 7 transmembrane (7TM) domain. We provide evidence that Ocn peptides act as a PAM for GPRC6A by binding to a site in the VFT that is distinct from the orthosteric site for calcium and L-amino acids. In agreement with this prediction, alternatively spliced GPRC6A isoforms 2 and 3, which lack regions of the VFT, and mutations in the computationally predicted Ocn binding site, K352E and H355P, prevent Ocn activation of GPRC6A. These observations explain how dissimilar ligands activate GPRC6A and set the stage to develop novel molecules to activate and inhibit this previously poorly understood receptor.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1998

Control of Oscillatory Thermocapillary Convection in Microgravity

This project focused on the generation and suppression of oscillatory thermocapillary convection in a thin liquid layer. The bulk of the research was experimental in nature, some theoretical work was also done. ne first phase of this research generated, for the first time, the hydrothermal-wave instability predicted by Smith and Davis in 1983. In addition, the behavior of the fluid layer under a number of conditions was investigated and catalogued. A transition map for the instability of buoyancy-thermocapillary convection was prepared which presented results in terms of apparatus-dependent and apparatus-independent parameters, for ease of comparison with theoretical results. The second phase of this research demonstrated the suppression of these hydrothermal waves through an active, feed-forward control strategy employing a CO2 laser to selectively heat lines of negative disturbance temperature on the free surface of the liquid layer. An initial attempt at this control was only partially successful, employing a thermocouple inserted slightly below the free surface of the liquid to generate the control scheme. Subsequent efforts, however, were completely successful in suppressing oscillations in a portion of the layer by utilizing data from an infrared image of the free surface to compute hydrothermal-wave phase speeds and, using these, to tailor the control scheme to each passing wave.

Skarda, Ray↗
NASA NTRS2000

The Effect of Radiation on Selected Photographic Film

We conducted this film test to evaluate several manufacturers' photographic films for their ability to acquire imagery on the International Space Station. We selected 25 motion picture, photographic slide, and negative films from three different film manufacturers. We based this selection on the fact that their films ranked highest in other similar film tests, and on their general acceptance by the international community. This test differed from previous tests because the entire evaluation process leading up to the final selection was based on information derived after the original flight film was scanned to a digital file. Previously conducted tests were evaluated entirely based on 8 x 10s that were produced from the film either directly or through the internegative process. This new evaluation procedure provided accurate quantitative data on granularity and contrast from the digital data. This test did not try to define which film was best visually. This is too often based on personal preference. However, the test results did group the films by good, marginal, and unacceptable. We developed, and included in this report, a template containing quantitative, graphical, and visual information for each film. These templates should be sufficient for comparing the different films tested and subsequently selecting a film or films to be used for experiments and general documentation on the International Space Station.

Slater, Richard↗
NASA NTRS2004

Flat Lens Focusing Demonstrated With Left-Handed Metamaterial

Left-handed metamaterials (LHM's) are a new media engineered to possess an effective negative index of refraction over a selected frequency range. This characteristic enables LHM's to exhibit physical properties never before observed. In particular, a negative index of refraction should cause electromagnetic radiation to refract or bend at a negative angle when entering an LHM, as shown in the figure above on the left. The figure on the right shows that this property could be used to bring radiation to a focus with a flat LHM lens. The advantage of a flat lens in comparison to a conventional curved lens is that the focal length could be varied simply by adjusting the distance between the lens and the electromagnetic wave source. In this in-house work, researchers at the NASA Glenn Research Center developed a computational model for LHM's with the three-dimensional electromagnetic commercial code Microwave Studio, constructed an LHM flat lens, and used it to experimentally demonstrate the reversed refraction and flat lens focusing of microwave radiation.

Wilson, Jeffrey D.↗
DOE OSTI2021

A Deep Learning Modeling Framework to Capture Mixing Patterns in Reactive-Transport Systems

Prediction and control of chemical mixing are vital for many scientific areas such as subsurface reactive transport, climate modeling, combustion, epidemiology, and pharmacology. Due to the complex nature of mixing in heterogeneous and anisotropic media, the mathematical models related to this phenomenon are not analytically tractable. Numerical simulations often provide a viable route to predict chemical mixing accurately. However, contemporary modeling approaches for mixing cannot utilize available spatial-temporal data to improve the accuracy of the future prediction and can be compute-intensive, especially when the spatial domain is large and for long-term temporal predictions. To address this knowledge gap, in this work we will present in this paper a deep learning (DL) modeling framework applied to predict the progress of chemical mixing under fast bimolecular reactions. This framework uses convolutional neural networks (CNN) for capturing spatial patterns and long short-term memory (LSTM) networks for forecasting temporal variations in mixing. By careful design of the framework—placement of non-negative constraint on the weights of the CNN and the selection of activation function, the framework ensures non-negativity of the chemical species at all spatial points and for all times. Our DL-based framework is fast, accurate, and requires minimal data for training. The time needed to obtain a forecast using the model is a fraction (≈ O(-6)) of the time needed to obtain the result using a high-fidelity simulation. To achieve an error of 10% (measured using the infinity norm) for capturing local-scale mixing features such as interfacial mixing, only 24% to 32% of the sequence data for model training is required. To achieve the same level of accuracy for capturing global-scale mixing features, the sequence data required for model training is 64% to 70% of the total spatial-temporal data. Hence, the proposed approach—a fast and accurate way to forecast long-time spatial-temporal mixing patterns in heterogeneous and anisotropic media—will be a valuable tool for modeling reactive-transport in a wide range of applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Polyamide-Based Ion Exchange Membranes: Cation-Selective Transport through Water Purification Membranes

Ion-selective membranes are necessary components of many electrochemical systems including fuel cells, electrolyzers, redox flow batteries, and electrodialyzers. Perfluorinated sulfonated membranes (PFSMs) dominate these applications due to their excellent combination of fast ion transport, stability, and processability. However, perfluorinated cation exchange membranes (CEMs) are expensive, and their production process involves chemistry that generates toxic perfluorinated chemicals. The development of affordable, nonfluorinated membranes with a competitive combination of high ion selectivity, transport, and stability could help enable the widespread use of the technologies listed above while hastening the development of emerging electrochemical systems, including aqueous alkaline CO 2 sorbent regeneration. To this end, we pursue the use of thin-film composite polyamide (PA-TFCs) membranes–those that typically find application in reverse osmosis and nanofiltration desalination–as cation-selective exchange membranes. Given their negative surface charge under neutral-to-alkaline conditions, PA-TFCs can serve as effective CEMs in these pH regimes. We prepared a series of PA-TFCs from traditional monomers (trimesoyl chloride and piperazine) and compared their thicknesses, charge densities, water transport properties, ion transport properties, and long-term stability in a high pH environment to traditional CEMs (Nafion and FKE) and commercial nanofiltration and reverse osmosis membranes. We find that some of the best-performing PA-TFC membranes have similar resistances and Na + transference numbers compared to Nafion 117 in Na 2 SO 4 and NaHCO 3 -containing solutions. This proof-of-principle study suggests that further optimization of PA-TFCs could enable cost-effective ion exchange membrane alternatives to PFSMs.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Modular droplet injector for sample conservation providing new structural insight for the conformational heterogeneity in the disease-associated NQO1 enzyme

Droplet injection strategies are a promising tool to reduce the large amount of sample consumed in serial femtosecond crystallography (SFX) measurements at X-ray free electron lasers (XFELs) with continuous injection approaches. Here, we demonstrate a new modular microfluidic droplet injector (MDI) design that was successfully applied to deliver microcrystals of the human NAD(P)H:quinone oxidoreductase 1 (NQO1) and phycocyanin. We investigated droplet generation conditions through electrical stimulation for both protein samples and implemented hardware and software components for optimized crystal injection at the Macromolecular Femtosecond Crystallography (MFX) instrument at the Stanford Linac Coherent Light Source (LCLS). Under optimized droplet injection conditions, we demonstrate that up to 4-fold sample consumption savings can be achieved with the droplet injector. In addition, we collected a full data set with droplet injection for NQO1 protein crystals with a resolution up to 2.7 Å, leading to the first room-temperature structure of NQO1 at an XFEL. NQO1 is a flavoenzyme associated with cancer, Alzheimer's and Parkinson's disease, making it an attractive target for drug discovery. Further, our results reveal for the first time that residues Tyr128 and Phe232, which play key roles in the function of the protein, show an unexpected conformational heterogeneity at room temperature within the crystals. These results suggest that different substates exist in the conformational ensemble of NQO1 with functional and mechanistic implications for the enzyme's negative cooperativity through a conformational selection mechanism. Our study thus demonstrates that microfluidic droplet injection constitutes a robust sample-conserving injection method for SFX studies on protein crystals that are difficult to obtain in amounts necessary for continuous injection, including the large sample quantities required for time-resolved mix-and-inject studies.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1997

Rendering Three-Dimensional Solar Coronal Structures

An X-ray or EUV image of the corona or chromosphere is a 2D representation of an extended 3D complex for which a general inversion process is impossible. A specific model must be incorporated in order to understand the full 3D structure. We approach this problem by modeling a set of optically-thin 3D plasma flux tubes which we render these as synthetic images. The resulting images allow the interpretation of the X-ray/EUV observations to obtain information on (1) the 3D structure of X-ray images, i.e., the geometric structure of the flux tubes, and on (2) the internal structure using specific plasma characteristics, i.e., the physical structure of the flux tubes. The data-analysis technique uses magnetograms to characterize photospheric magnetic fields and extrapolation techniques to form the field lines. Using a new set of software tools, we have generated 3D flux tube structures around these field lines and integrated the plasma emission along the line of sight to obtain a rendered image. A set of individual flux-tube images is selected by a non-negative least-squares technique to Provide a match with an observed X-ray image. The scheme minimizes the squares of the differences between the synthesized image and the observed image with a non-negative constraint on the coefficients of the brightness of the individual flux-tube loops. The derived images are used to determine the specific photospheric foot points and physical data, i.e., scaling laws for densities and loop lengths. The development has led to Computer efficient integration and display software that is compatible for comparison with observations (e.g., Yohkoh SXT data, NIXT, or EIT). This analysis is important in determining directly the magnetic field configuration, which provides the structure of coronal loops, and indirectly the electric currents or waves, which provide the energy for the heating of the plasma. We have used very simple assumptions (i.e., potential magnetic fields and isothermal corona) to provide an initial test of the techniques before complex models are introduced. We have separated the physical and geometric contributions of the emission for a set of flux tubes and concentrated, in this initial study, on the geometric contributions by making approximations to the physical contributions. The initial results are consistent with the scaling laws derived from Yohkoh SXT data.

Gary, G. Allen↗
NASA NTRS2017

Molecular Analyzer for Complex Refractory Organic-Rich Surfaces (MACROS)

The Molecular Analyzer for Complex Refractory Organic-rich Surfaces, MACROS, is a novel instrument package being developed at NASA Goddard Space Flight Center. MACROS enables the in situ characterization of a sample's composition by coupling two powerful techniques into one compact instrument package: (1) laser desorption/ionization time-of-flight mass spectrometry (LDMS) for broad detection of inorganic mineral composition and non-volatile organics, and (2) liquid-phase extraction methods to gently isolate the soluble organic and inorganic fraction of a planetary powder for enrichment and detailed analysis by liquid chromatographic separation coupled to LDMS. The LDMS is capable of positive and negative ion detection, precision mass selection, and fragment analysis. Two modes are included for LDMS: single laser LDMS as the broad survey mode and two step laser mass spectrometry (L2MS). The liquid-phase extraction will be done in a newly designed extraction module (EM) prototype, providing selectivity in the analysis of a complex sample. For the sample collection, a diamond drill front end will be used to collect rock/icy powder. With all these components and capabilities together, MACROS offers a versatile analytical instrument for a mission targeting an icy moon, carbonaceous asteroid, or comet, to fully characterize the surface composition and advance our understanding of the chemical inventory present on that body.

Getty, Stephanie A.↗
NASA NTRS2018

Exoplanet Biosignatures: Understanding Oxygen as a Biosignature in the Context of Its Environment

Here we review how environmental context can be used to interpret whether O 2 is a biosignature in extrasolar planetary observations. This paper builds on the overview of current biosignature research discussed in Schwieterman et al. (2017), and provides an in-depth, interdisciplinary example of biosignature identification and observation that serves as a basis for the development of the general framework for biosignature assessment described in Catling et al., (2017). O 2 is a potentially strong biosignature that was originally thought to be an unambiguous indicator for life at high-abundance. In exploring O 2 as a biosignature, we describe the coevolution of life with the early Earth's environment, and how the interplay of sources and sinks in the planetary environment may have resulted in suppression of O 2 release into the atmosphere for several billion years, a false negative for biologically generated O 2 . False positives may also be possible, with recent research showing potential mechanisms in exoplanet environments that may generate relatively high abundances of atmospheric O 2 without a biosphere being present. These studies suggest that planetary characteristics that may enhance false negatives should be considered when selecting targets for biosignature searches. Similarly our ability to interpret O 2 observed in an exoplanetary atmosphere is also crucially dependent on environmental context to rule out false positive mechanisms. We describe future photometric, spectroscopic and time-dependent observations of O 2 and the planetary environment that could increase our confidence that any observed O 2 is a biosignature, and help discriminate it from potential false positives. The rich, interdisciplinary study of O 2 illustrates how a synthesis of our understanding of life's evolution and the early Earth, scientific computer modeling of star-planet interactions and predictive observations can enhance our understanding of biosignatures and guide and inform the development of next-generation planet detection and characterization missions. By observing and understanding O 2 in its planetary context we can increase our confidence in the remote detection of life, and provide a model for biosignature development for other proposed biosignatures.

Victoria S Meadows↗
NASA NTRS1977

Prediction of large negative shaded-side spacecraft potentials

A calculation by Knott, for the floating potential of a spherically symmetric synchronous-altitude satellite in eclipse, was adapted to provide simple calculations of upper bounds on negative potentials which may be achieved by electrically isolated shaded surfaces on spacecraft in sunlight. Large (approximately 60 percent) increases in predicted negative shaded-side potentials are obtained. To investigate effective potential barrier or angular momentum selection effects due to the presence of less negative sunlit-side or adjacent surface potentials, these expressions were replaced by the ion random current, which is a lower bound for convex surfaces when such effects become very severe. Further large increases in predicted negative potentials were obtained, amounting to a doubling in some cases.

Prokopenko, S. M. L.↗
DOE OSTI2022

Carbon-negative production of acetone and isopropanol by gas fermentation at industrial pilot scale

Many industrial chemicals that are produced from fossil resources could be manufactured more sustainably through fermentation. In this work, we describe the development of a carbon-negative fermentation route to producing the industrially important chemicals acetone and isopropanol from abundant, low-cost waste gas feedstocks, such as industrial emissions and syngas. Using a combinatorial pathway library approach, we first mined a historical industrial strain collection for superior enzymes that we used to engineer the autotrophic acetogen Clostridium autoethanogenum. Next, we used omics analysis, kinetic modeling and cell-free prototyping to optimize flux. Finally, we scaled-up our optimized strains for continuous production at rates of up to ~3 g/L/h and ~90% selectivity. Life cycle analysis confirmed a negative carbon footprint for the products. Unlike traditional production processes, which result in release of greenhouse gases, our process fixes carbon. These results show that engineered acetogens enable sustainable, high-efficiency, high-selectivity chemicals production. We expect that our approach can be readily adapted to a wide range of commodity chemicals.

59 BASIC BIOLOGICAL SCIENCES↗