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At least 559 records · Page 31

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NASA NTRS2012

The Mars Dust Cycle: Investigating the Effects of Radiatively Active Water Ice Clouds on Surface Stresses and Dust Lifting Potential with the NASA Ames Mars General Circulation Model

The dust cycle is a critically important component of Mars' current climate system. Dust is present in the atmosphere of Mars year-round but the dust loading varies with season in a generally repeatable manner. Dust has a significant influence on the thermal structure of the atmosphere and thus greatly affects atmospheric circulation. The dust cycle is the most difficult of the three climate cycles (CO2, water, and dust) to model realistically with general circulation models. Until recently, numerical modeling investigations of the dust cycle have typically not included the effects of couplings to the water cycle through cloud formation. In the Martian atmosphere, dust particles likely provide the seed nuclei for heterogeneous nucleation of water ice clouds. As ice coats atmospheric dust grains, the newly formed cloud particles exhibit different physical and radiative characteristics. Thus, the coupling between the dust and water cycles likely affects the distributions of dust, water vapor and water ice, and thus atmospheric heating and cooling and the resulting circulations. We use the NASA Ames Mars GCM to investigate the effects of radiatively active water ice clouds on surface stress and the potential for dust lifting. The model includes a state-of-the-art water ice cloud microphysics package and a radiative transfer scheme that accounts for the radiative effects of CO2 gas, dust, and water ice clouds. We focus on simulations that are radiatively forced by a prescribed dust map, and we compare simulations that do and do not include radiatively active clouds. Preliminary results suggest that the magnitude and spatial patterns of surface stress (and thus dust lifting potential) are substantial influenced by the radiative effects of water ice clouds.

Kahre, Melinda A.↗

DOE OSTI2020

Use of in Situ Synchrotron Techniques to Probe the Oxidized Surface of Molybdenum Nitride Oxygen Reduction Electrocatalysis

The development of active and stable earth-abundant catalysts for the oxygen reduction reaction (ORR) is needed for widespread, economic development of fuel cell technologies. Designing and optimizing these non-platinum group metals is challenging, however, because they are susceptible to composition and structure changes, including dissolution, oxidation, and corrosion, both in air and under reaction conditions. To identify the active surface, and thus understand the properties that affect activity, the catalyst surface must be characterized in situ. Herein, we utilize a grazing incidence electrochemical cell to investigate in situ composition and morphology changes of a molybdenum nitride (Mo-N) thin film catalyst using grazing incidence x-ray absorption spectroscopy (GI-XAS) and x-ray reflectivity (XRR). In rotating ring disk electrode measurements, we find that the activity, selectivity, stability, and capacitance of the Mo-N catalyst is dependent on the maximum potential to which it has been exposed. Specifically, the overpotential required to reach -2 mA cm-2geo decreases by over 90 mV when the maximum potential is increased from 0.3 to 0.8 V vs RHE (Figure 1). Because the Mo-N oxidizes rapidly in air, ex situ characterization methods including x-ray photoelectron spectroscopy and time-of-flight secondary ion mass spectrometry can provide only limited insight into these in situ catalyst changes. Using in situ GI-XAS measurements at applied potentials between 0.3 and 0.9 V vs RHE, however, we are able to determine that the surface of the film oxidizes and becomes more amorphous when exposed to increasingly higher potentials (Figure 1). Furthermore, the surface remains oxidized on the order of several hours when returned to "ORR relevant potentials" (< 0.6 V vs RHE), indicating that this surface-oxidized nitride is the active surface for ORR. Using in situ XRR measurements, we find that there is no change in surface roughness at potentials below 0.7 V vs RHE, but the film roughens significantly at 0.8 V vs RHE, correlating with ex situ measurements of Mo dissolution at this potential (Figure 1). We therefore conclude that the intrinsic activity of the Mo-N catalyst increases when exposed to potentials up to 0.7 V vs RHE, while above that potential activity enhancements are due to the exposure of more active sites through dissolution. The in situ electrochemical surface-sensitive x-ray characterization as used here is a promising methodology for understanding and leveraging surface dynamics to improve the performance of non-traditional catalysts.

Kreider, Melissa↗

NASA NTRS1984

ECUT: Energy Conversion and Utilization Technologies program - Biocatalysis research activity

The activities of the Biocatalysis Research Activity are organized into the Biocatalysis and Molecular Modeling work elements and a supporting planning and analysis function. In the Biocatalysis work element, progress is made in developing a method for stabilizing genetically engineered traits in microorganisms, refining a technique for monitoring cells that are genetically engineered, and identifying strains of fungi for highly efficient preprocessing of biomass for optimizing the efficiency of bioreactors. In the Molecular Modeling work element, a preliminary model of the behavior of enzymes is developed. A preliminary investigation of the potential for synthesizing enzymes for use in electrochemical processes is completed. Contact with industry and universities is made to define key biocatalysis technical issues and to broaden the range of potential participants in the activity. Analyses are conducted to identify and evaluate potential concepts for future research funding.

Wilcox, R.↗

DOE OSTI2024

Distinguishing homolytic vs heterolytic bond dissociation of phenylsulfonium cations with localized active space methods

Modeling chemical reactions with quantum chemical methods is challenging when the electronic structure varies significantly throughout the reaction and when electronic excited states are involved. Multireference methods, such as complete active space self-consistent field (CASSCF), can handle these multiconfigurational situations. However, even if the size of the needed active space is affordable, in many cases, the active space does not change consistently from reactant to product, causing discontinuities in the potential energy surface. The localized active space SCF (LASSCF) is a cheaper alternative to CASSCF for strongly correlated systems with weakly correlated fragments. The method is used for the first time to study a chemical reaction, namely the bond dissociation of a mono-, di-, and triphenylsulfonium cation. LASSCF calculations generate smooth potential energy scans more easily than the corresponding, more computationally expensive CASSCF calculations while predicting similar bond dissociation energies. Furthermore, our calculations suggest a homolytic bond cleavage for di- and triphenylsulfonium and a heterolytic pathway for monophenylsulfonium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Anodic electrocatalytic conversion of carboxylic acids on thin films of RuO 2 , IrO 2 , and Pt

The electrocatalytic upgrading of carboxylic acids, abundant biomass-derived molecules, remains a challenging task. In this paper, we report an electrocatalytic decarboxylation (ECDX) approach for the conversion of carboxylic acids into paraffins, olefins, and alcohols via (non-)Kolbe electrolysis on thin films (TFs). The ECDX rate, product selectivity, and current efficiency were potential and electrode dependent. For example, the ECDX activity of RuO 2 -TF was similar to that of Pt foil, but the selectivity to Kolbe products was lower on the former. RuO 2 -TF showed about five times higher rates for the oxygen evolution reaction than Pt foil, which resulted in lower current efficiency. The ECDX and O 2 evolution activities of IrO 2 -TF were potential dependent, but this electrode was selective to non-Kolbe products with low current efficiency (<10 %). This work highlights the performance of thin films as an alternative to bulk metals as anodes for oxidative upgrading of carboxylic acids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Field-Coupled Water Splitting with Metal-Free Donor–Acceptor Covalent Organic-Framework Junctions

Advancing metal-free electrocatalysts for hydrogen and oxygen evolution reactions (HER/OER) across acidic and alkaline media requires coordinated control of intermediate binding thermodynamics, interfacial charge delivery, and near-electrode transport dynamics. Here, we design amide-linked benzene–triazine covalent organic frameworks (BTA/TzTA-Hz COFs) and integrate them with carbon nanotubes (CNTs) to form COF–CNT junctions that establish a built-in interfacial electric field. Density functional theory (DFT) and electrostatic potential maps indicate complementary active motifs, with benzene-proximal fragments associated with HER and triazine-proximal motifs associated with OER. CNT integration shifts the contact-potential difference by ≈0.20 V, while operando electrochemical impedance spectroscopy suggests partially separable high-frequency junction-charging and lower-frequency Faradaic/transport responses. A 300 mT static magnetic field lowers the HER and OER overpotentials by tens of millivolts. Under anodic bias, the effective interfacial charging capacitance increases, and Mott–Schottky analysis shows an apparent ∼0.15 V flat-band shift with an essentially unchanged slope. Together, these observations are consistent with field-perturbed interfacial charging and altered bias partitioning. Field-dependent impedance and bubble imaging are consistent with magnetohydrodynamic convection that promotes bubble detachment and near-electrode mass transport for both half-reactions, and they reveal an OER-specific high-frequency perturbation under anodic bias. Under field, the heterostructure reaches an OER onset overpotential of ∼261 mV and requires an overpotential of 366 mV at 10 mA cm –2 in alkaline electrolyte. These results illustrate how reticular-framework chemistry, junction engineering, and both built-in and applied fields can program reactivity through interfacial electrostatics and near-electrode transport in organic-framework electrocatalysts.

Garcia-Enriquez, Lissette [Univ. of Texas at El Pa↗

NASA NTRS1972

Orbital operations study. Volume 1: Mission analysis

The final report of the orbital operations study and a summary of the 25 elements in the study inventory are presented. Fourteen interfacing activities are defined. Eleven mission models encompassing all potential interfacing element pairs and interfacing activities are included.

Steinwachs, W. L.↗

DOE OSTI2021

Rotational Dynamics of an Amphidynamic Zirconium Metal–Organic Framework Determined by Dielectric Spectroscopy

A zirconium metal–organic framework with a difluorophenylene rotator bearing a permanent electric dipole of ~3.2 D was synthesized, and its rotational motion was analyzed by temperature- and frequency-dependent broadband dielectric spectroscopy. While solid-state NMR confirms fast rotation qualitatively, the dissipation factors measured between 113 and 153 K suggested an activation energy E a = 2.6 kcal/mol, but deviations from a single Debye relaxation suggested a dynamic process that cannot be accounted for by a well-defined potential with a single activation barrier. The dynamic heterogeneity of the dipolar rotor was confirmed by analysis in terms of a Cole–Cole relaxation, which suggested a mean barrier of ~1.9 kcal/mol, with a heterogeneity that decreases as temperature increases. Based on the single-crystal structure, we propose that the kinetic heterogeneity results from a temperature-dependent potential where rotation motion is mediated by the escape of the rotator from an energy well created by a double Ph–H···F–Ph hydrogen bond.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

A Nonaqueous Redox‐Matched Flow Battery with Charge Storage in Insoluble Polymer Beads**

Abstract We describe the nonaqueous redox‐matched flow battery (RMFB), where charge is stored on redox‐active moieties covalently tethered to non‐circulating, insoluble polymer beads and charge is transferred between the electrodes and the beads via soluble mediators with redox potentials matched to the active moieties on the beads. The RMFB reported herein uses ferrocene and viologen derivatives bound to crosslinked polystyrene beads. Charge storage in the beads leads to a high (approximately 1.0–1.7 M) effective concentration of active material in the reservoirs while preventing crossover of that material. The relatively low concentration of soluble mediators (15 mM) eliminates the need for high‐solubility molecules to create high energy density batteries. Nernstian redox exchange between the beads and redox‐matched mediators was fast relative to the cycle time of the RMFB. This approach is generalizable to many different redox‐active moieties via attachment to the versatile Merrifield resin.

25 ENERGY STORAGE↗

NASA NTRS2017

Polanyi Evaluation of Adsorptive Capacities of Commercial Activated Carbons

Commercial activated carbons from Calgon (207C and OVC) and Cabot Norit (RB2 and GCA 48) were evaluated for use in spacecraft trace contaminant control filters. The Polanyi potential plots of the activated carbons were compared using to those of Barnebey-Cheney Type BD, an untreated activated carbon with similar properties as the acid-treated Barnebey-Sutcliffe Type 3032 utilized in the TCCS. Their adsorptive capacities under dry conditions were measured in a closed loop system and the sorbents were ranked for their ability to remove common VOCs found in spacecraft cabin air. This comparison suggests that these sorbents can be ranked as GCA 48 207C, OVC RB2 for the compounds evaluated.

Monje, Oscar↗

NASA NTRSDate not supplied

Conceptual Integration Studies of Localized Active Flow Control on the Wing of a Commercial Aircraft

A study of conceptual integration and performance of localized active flow control technology onto wings of short-to-medium-range project passenger airplanes is summarized. Using predicted aerodynamic performance improvement opportunities on a computational fluid dynamics reference aircraft, this paper presents the estimated performance opportunities for conceptual implementation of studied wing localized active flow control technology for low-speed (takeoff and landing) application on a Project Research Aircraft configuration. Using conceptual active flow control systems and structural integration weight penalties for studied concepts, potential relevant net performance benefits can be obtained with reliable active flow control in takeoff and landing. The conceptual integration study identifies potential localized wing active flow control application opportunities for high-lift conditions using energy sources available on modern aircraft. Material benefits are estimated for takeoff and landing configurations for selected localized wing active flow control applications. The study concluded that substantial low-speed Maximum Lift and Lift/Drag related performance improvements may be possible with localized wing high-lift active flow control systems powered by auxiliary power unit, engine bleed, or electrical compressors - with due consideration of integration and weight impacts as well as availability requirements of such systems.

drag reduction↗

NASA NTRS1985

Method for measuring surface activity of silicon nitride powder

Amorphous, alpha-, and beta-Si3N4 powders were activated by vibration ball milling in purified MeOH, and the surface activity of ground powders was determined by the temperature programmed desorption (TPD) method using NH3 gas. The concentration of active sites with a potential energy equivalent to the peak temperature in the spectrum increased was markedly by ball milling the amorphous Si3N4. The alpha- and beta-Si3N4 also had active sites produced by ball milling. The concentration of active site increased with increased ball milling time. A method for measuring surface activity of ceramic raw materials by TPD is proposed.

Kanno, Y.↗

DOE OSTI2023

Unraveling the Cooperative Activity of Hydrophilicity, Conductivity, and Interfacial Active Sites in Alginate‐CNT‐Cuo Self‐Standing Electrodes with Benchmark‐Close Activity for Alkaline Water Splitting

Designing electrocatalysts that excel in hydrogen and oxygen electrochemistry is crucial for sustainable hydrogen generation through electrochemical water splitting. This study presents a novel tricomponent catalyst composed of an alginate hydrogel (AL) infused with single-walled carbon nanotubes (CNTs) and copper oxide (CuO) nanoparticles. The catalyst exhibits benchmark-close bifunctional activity toward hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) under alkaline conditions. The aerophobic nature of the AL-gel facilitates superior bubble release from the electrode, while the inclusion of CNTs mitigates charge transfer resistance. Moreover, heterojunctions of CuO and CNTs create unique interfacial active sites, culminating in high electrocatalytic water-splitting activity. The structural rigidity of the composite permits its use as self-standing electrodes (SSE) without using substrates or binders, enabling a direct evaluation of its activity. The composite electrode demonstrates exceptional electrocatalytic HER activity in an alkaline solution, with onset potentials of 93 mV and moderate OER activity with an onset of 155 mV. Furthermore, a water electrolysis cell featuring the bifunctional SSE exhibits an open circuit voltage of 1.85 V at 100 mA.cm −2 , and only 8% efficiency loss after 100 h marking this a significant stride in developing self-standing nonprecious electrocatalysts with impressive catalytic performance.

36 MATERIALS SCIENCE↗

NASA NTRS1979

On single-degree-of-freedom flutter induced by activated controls

It is shown that activation of the trailing-edge control of an airfoil leads to single-degree-of-freedom type instabilities which span over a very wide region of reduced frequencies k, including high values of k (unlike the nonactivated system). These instabilities are shown to be sensitive to changes in pitching axis location, control deflection phase angle, and values of the reduced frequency. These sensitivities of the single-degree-of-freedom system cause the activated airfoil to be potentially sensitive to changes in flight conditions, and may be the source of the many difficulties encountered in suppressing classical multi-degree-of-freedom flutter by means of active controls. The results presented herein relate to zero Mach number and to a 20% trailing-edge control surface.

Nissim, E.↗

NASA NTRS1999

Interpreting Broad Double-Peaked Emission Lines in Active Galactic Nuclei

The principal objectives of this project were to probe the inner regions of active galactic nuclei and to test general relativity in the strong-field limit. The approach takes advantage of broad atomic line emission observed from material deep in the potential well of an active galactic nucleus which contains key information as to the physics of the system. Line profiles in a wide range of wavebands from optical to X-ray have provided compelling evidence of the existence of a relativistic accretion disk around a supermassive black hole in a number of galaxies. The simplest model posits a geometrically thin disk in Keplerian orbit, with general relativistic effects in evidence. This model is the point of departure for the proposed work. We developed a high-performance numerical code to calculate photon trajectories in a Schwarzschild or Kerr metric and implemented it on parallel supercomputers. This code includes a general purpose ray tracer that calculates line profiles, light curves, and other observable quantities for a wide variety of emitter configurations. The versatility comes from the fact that the ray tracing algorithm does not depend on any symmetries regarding emitter locations. The speed comes from parallel implementation which enables us to sample hitherto unattainable volumes of disk model parameter space. During the period 1 March 1997 through 28 February 1998, two papers, supported in whole or in part by this grant, were published in refereed journals. They are reproduced in their entirety in the next two sections of this report.

Halpern, Jules↗

NASA NTRS2017

Trace Contaminant Control for the International Space Station's Node 1- Analysis, Design, and Verification

Trace chemical contaminant generation inside crewed spacecraft cabins is a technical and medical problem that must be continuously evaluated. Although passive control through materials selection and active control by adsorption and catalytic oxidation devices is employed during normal operations of a spacecraft, contaminant buildup can still become a problem. Buildup is particularly troublesome during the stages between the final closure of a spacecraft during ground processing and the time that a crewmember enters for the first time during the mission. Typically, the elapsed time between preflight closure and first entry on orbit for spacecraft such as Spacelab modules was 30 days. During that time, the active contamination control systems are not activated and contaminants can potentially build up to levels which exceed the spacecraft maximum allowable concentrations (SMACs) specified by NASA toxicology experts. To prevent excessively high contamination levels at crew entry, the Spacelab active contamination control system was operated for 53 hours just before launch.

Perry, J. L.↗

NASA NTRS2022

Gulf of Mexico Health and Air Quality: Using NASA Earth Observations to Identify Potential Methane Sources for Improved Monitoring of Offshore Oil & Gas Activity in the Gulf of Mexico

The extraction, production, and transportation of oil and gas is a leading contributor to anthropogenic methane emissions via activities such as flaring and venting. The Bureau of Ocean and Energy Management (BOEM) has air quality jurisdiction offshore in the Gulf of Mexico and drafts regulations for criteria pollutants, while the Bureau of Safety and Environmental Enforcement (BSEE) enforces these regulations. Additionally, the non-profit organization SkyTruth monitors natural resources, including methane. BOEM, BSEE, and SkyTruth have partnered with NASA DEVELOP to use Earth observations to identify potential offshore methane sources in the Gulf of Mexico and to validate reported flaring activity. This information will allow BOEM and BSEE to make informed regulations regarding air pollution. Here, we cross-referenced BOEM infrastructure data with Suomi National Polar-orbiting Partnership (NPP) Visible Infrared Radiometer Suite (VIIRS) Nightfire data to validate operator-reported flaring. Sentinel-5p TROPOspheric Monitoring Instrument (TROPOMI) pollutant concentrations were used to validate VIIRS-detected flaring outside of the Gulf of Mexico where operator-reported data is unavailable. Using these methods, we identified the locations of offshore oil and gas infrastructure with known episodic flaring and venting in 2017 in the Gulf of Mexico, as well as offshore of South America and West Africa in 2021. Drawing upon retrieval methods used to detect onshore methane emissions, we proposed an analogous method utilizing sunglint to illuminate methane plumes over the ocean using Sentinel-2 Multispectral Imager (MSI) imagery. We detected two potential methane plumes – one at the Constitution complex in the Gulf of Mexico in July 2017 and one off the Coast of Lagos, West Africa, in July 2021.

Kate Howell↗

DOE OSTI2021

Active motion of multiphase oil droplets: emergent dynamics of squirmers with evolving internal structure

Synthetic soft matter systems, when driven beyond equilibrium by active processes, offer the potential to achieve dynamical states and functions of a complexity found in living matter. Emulsions offer the basis of a simple yet versatile system for identification of the physicochemical principles underlying active soft matter, but how multiple internal phases within emulsion droplets (e.g., Janus morphologies) organize to impact emergent dynamics is not understood. Here, we create multiphase oil droplets with ultralow interfacial tensions but distinct viscosities, and drive them into motion in aqueous micellar solutions. Preferential solubilization of select components of the oil both drives the droplet motion and yields a progression of internal phase morphological states with distinct symmetries. In this work, we find the active droplets to exhibit five dynamical states during morphogenesis. By quantifying microscopic flow fields, we show that it is possible to map the diverse droplet behaviors to squirmer models of spherical microswimmers in Stokes flow, thus showing that multiphase droplets offer the basis of a versatile platform with which to study and engineer the hydrodynamics of microswimmers.

36 MATERIALS SCIENCE↗