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DOE OSTI2023

Water chemistry in flume channel and hyporheic zone (i.e., porewater) associated with: “Rethinking Aerobic Respiration in the Hyporheic Zone Under Variation in Carbon and Nitrogen Stoichiometry”

Dissolved oxygen (DO), total organic carbon (TOC), total nitrogen (TN), molecular data for organic matter, and biochemical reactions for surface water and porewater (i.e., hyporheic zone) collected from a water recirculating flume located at the University of Texas, Austin. The flume contained real river water from Lower Colorado River(Austin, TX) and clean sand. Hyporheic exchange in the flume was induced through The study aims to understand relationships between aerobic metabolism of organic matter and molecular characteristics of organic matter, such as thermodynamic signature and nitrogen content, through the extent of the hyporheic zone at 10 cm- resolution, and through time. During the experiment, organic matter (dry leaves) was added to the flume and removed after 24 hours. The water samples were collected before the addition of leaves, at the time of removal of leaves, and at hour 72. The water samples were analyzed using ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) and total organic carbon (TOC) and total nitrogen (TN) analysis. Dissolved oxygen content throughout the surface water and the hyporheic zone of the flume was measured with a large planar optode. This data package is associated with the publication ’ Rethinking Aerobic Respiration in the Hyporheic Zone Under Variation in Carbon and Nitrogen Stoichiometry’ published in Environmental Science and Technology (Turețcaia et al., 2023 https://doi.org/10.1021/acs.est.3c04765). The dataset is comprised of five folders (1) Diss_O2_pic, (2) input_files (3) output_files; (4) python_code; and (5) R_code . Diss_O2_pic contains siximages of dissolved oxygen distribution in a bedform at hours 0, 24, and 72 of the experiment conducted in a large recirculation flume. Images are in separate R and G channels (i.e., RGB). The input_files contains (1) a csv file with FTICR peaks identified within each sample, (2) a csv file with molecular information pertinent to FTICR data with Gibbs free energy calculations adjusted for environmental temperature, (3) a csv file containing concentrations of non-purgeable organic carbon measured throughout the experiment , (4) a csv file containing concentrations of total nitrogen measured throughout the experiment, (5) a csv file containing total biochemical reactions (i.e., transformations) identified in the dataset, (6) a csv containing transformation profiles, and (7) a csv file containing transformations with formulas, and (8) a jpg file with schematic representation of locations for sample collection. The output_files contains (1) and xlsx file containing percent biochemical reactions containing nitrogen identified across all 39 sample, (2) a csv file of merged FTICR data and molecular information files, (3) a csv files containing average Gibbs free energy within sampling domains and at each sampling location, (4) a csv file with average concentrations of dissolved oxygen across sampling locations at hour 0, (5) a csv file with average concentrations of dissolved oxygen across sampling locations at hour 24, (6) a csv file with average concentrations of dissolved oxygen across sampling locations at hour 72, (7) a csv file with percent chemical classes identified across sampling locations at hour 0, (8) a csv file with percent chemical classes identified across sampling locations at hour 24, (9) a csv file with percent chemical classes identified across sampling locations at hour 72, and (10) a csv file containing percent nitrogen containing biochemical reactions identified across sampling locations at hours 0, 24, and 72. The python_code contains seven ipynb files which are Jupyter Notebooks used for data analysis and figures generation. The R_code contains 3 R files with R code used for data analysis and figures generation. This data package contains the processed data used in the associated manuscript. This data has not been previously published.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Growth and passivation of individual carbon nanoparticles by C2H2 addition at high temperatures: Dependence of growth rate and evolution on material and size

Absolute kinetics for reactions of C2H2 with a series of ∼60 individual carbon nanoparticles (NPs) from graphite, graphene, graphene oxide, carbon black, diamond, and nano-onion feedstocks were measured for temperatures (TNP) ranging from 1200 to 1700 K. All the NPs were observed to gain mass by carbon addition under conditions that varied with feedstock but with large variations in initial growth rate. Long reaction periods were studied to allow the evolution of growth rates over time to be observed. Diamond NPs were found to passivate against C2H2 addition if heated above ∼1400 K, and the highly variable initial reactivity for carbon nano-onions was found to depend on the presence of non-onion-structure surface carbon. For graphitic and carbon black NPs, three distinct growth modes were observed, correlated with the initial NP mass (Minitial). Smallest graphitic and carbon black NPs, with masses <∼25 MDa, initially grew rapidly but also passivated quickly after adding <4% of Minitial. NPs in the 20–50 MDa range also passivated but only after multiple waves of fast growth separated by periods of low reactivity, with up to ∼11% total mass gain before passivation. The largest carbon black and graphitic NPs, with Minitial >50 MDa, grew rapidly and continuously, adding up to ∼300% of Minitial with no sign of rate slowing as long as C2H2 was present. The efficiencies for C2H2 addition and etching by O2 are strongly correlated, but the correlation changes as the NPs passivate. Growth and passivation mechanisms are discussed.

Chemistry↗

NASA NTRS2019

Secondary Ion Mass Spectroscopy

Secondary Ion mass Spectroscopy (SIMS), as the name suggests, involves characterizing metallic and other materials trough the spectroscopic analysis of secondary ions emanating from the surface of the material to be characterized by the impact of the high energy primary ions. The primary ion source including the choice of its gun, voltage and current can be selected and used depending on the purpose of the analysis. In most instruments more than one primary ion gun is lined up to the sample stage and can be activated with selected accelerating parameters (voltage and beam intensity). The impingement of primary ions on to the sample surface generates positive, negative or neutral ions, electrons, atoms and atomic clusters. Majority of these sample fragments being neutral, could not be utilized as such fragments cannot be manipulated through the use of electromagnetic or electrostatic lenses. Secondary ions that are positively or negatively charged possess large variation in velocity, charge, and mass. These ionic fragments eventually travel through a system of several lenses in very high vacuum to reach detector/counter. Relative amounts of alloying elements or impurities in an alloy can be calculated from the counts of related ions accumulated in the detector/counter.

Panda, Binayak↗

DOE OSTI2021

A weighted Shifted Boundary Method for free surface flow problems

The Shifted Boundary Method (SBM) belongs to the class of unfitted (or immersed, or embedded) finite element methods and was recently introduced for the Poisson, linear advection/diffusion, Stokes, Navier-Stokes, acoustics, and shallow-water equations. By reformulating the original boundary value problem over a surrogate (approximate) computational domain, the SBM avoids integration over cut cells and the associated problematic issues regarding numerical stability and matrix conditioning. Accuracy is maintained by modifying the original boundary conditions using Taylor expansions. Hence the name of the method, that shifts the location and values of the boundary conditions. In this article, we extend the SBM to the simulation of incompressible Navier-Stokes flows with moving free-surfaces, by appropriately weighting its variational form with the elemental volume fraction of active fluid. This approach prevents spurious pressure oscillations in time, which would otherwise be produced if the total active fluid volume were to change abruptly over a time step. In fact, the proposed weighted SBM method induces small mass (i.e., volume) conservation errors, which converge quadratically in the case of piecewise-linear finite element interpolations, as the grid is refined. Finally, we present an extensive set of two- and three-dimensional tests to demonstrate the robustness and accuracy of the method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Hot Hydrogen Exposure of U x Zr 1-x C y Nuclear Fuel: The Influence of Composition and Density

Refractory carbide nuclear fuel has been one of the most promising fuel candidates for space nuclear propulsion due to its high melting point, temperature stability, and compatibility in a hot hydrogen environment. In this study, U x Zr 1-x C y fuel was produced by means of a carbothermic reduction process in different UC compositions including 5,10, 20, and 30 at.% UC in the fuel compound. The powder feedstock was consolidated via direct current sintering with densities up to 97% of the theoretical density. The samples with different U x Zr 1-x C y compositions were exposed to hot hydrogen at 2600 K for a cumulative time of 300 min. The samples were characterized by SEM, XRD, density, and measured for mass losses. The high-density samples displayed improved performance in hot hydrogen by minimizing porous sites and reducing areas of direct contact with hydrogen gas, leading to reduced mass losses. Variations in sample density proved to induce large changes in mass loss rates, increasing them up to 90%. The compositions with higher UC content reported the largest mass losses in the study. The loss of uranium occurred primarily at the surfaces exposed to the hot hydrogen where changes in the lattice constant confirmed losses exceeding 50% of the initial UC content in higher compositions, specifically to U 0.3 Zr 0.7 C y . XRD analyses revealed the presence of UH 3 in U 0.3 Zr 0.7 C y suggesting that metallic uranium formed inside the sample as a product of carbon losses. High-density U x Zr x-1 C y fuel with UC concentrations at or below 20 at.% UC exhibited stability and negligible density changes in a high temperature hydrogen environment.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS2004

Flight control actuation system

A flight control actuation system comprises a controller, electromechanical actuator and a pneumatic actuator. During normal operation, only the electromechanical actuator is needed to operate a flight control surface. When the electromechanical actuator load level exceeds 40 amps positive, the controller activates the pneumatic actuator to offset electromechanical actuator loads to assist the manipulation of flight control surfaces. The assistance from the pneumatic load assist actuator enables the use of an electromechanical actuator that is smaller in size and mass, requires less power, needs less cooling processes, achieves high output forces and adapts to electrical current variations. The flight control actuation system is adapted for aircraft, spacecraft, missiles, and other flight vehicles, especially flight vehicles that are large in size and travel at high velocities.

Wingett, Paul T.↗

NASA NTRS2006

Flight control actuation system

Wingett, Paul T.↗

DOE OSTI2025

Global Simulations of Phase State and Equilibration Time Scales of Secondary Organic Aerosols with GEOS-Chem

The phase state of secondary organic aerosols (SOA) can range from liquid through amorphous semisolid to glassy solid, which is important to consider as it influences various multiphase processes including SOA formation and partitioning, multiphase chemistry, and cloud activation. In this study, we simulate the glass transition temperature and viscosity of SOA over the globe using the global chemical transport model, GEOS-Chem. The simulated spatial distributions show that SOA at the surface exist as liquid over equatorial regions and oceans, semisolid in the midlatitude continental regions, and glassy solid over lands with low relative humidity. The predicted SOA viscosities are mostly consistent with the available measurements. In the free troposphere, SOA particles are mostly predicted to be semisolid at 850 hPa and glassy solid at 500 hPa, except over tropical regions including Amazonia, where SOA are predicted to be low viscous. Phase state also exhibits seasonal variation with a higher frequency of semisolid and solid particles in winter compared to warmer seasons. We calculate equilibration time scales of SOA partitioning (τ eq ) and effective mass accommodation coefficient (α eff ), indicating that τ eq is shorter than the chemical time step of GEOS-Chem of 20 min and αeff is close to unity for most locations at the surface level, supporting the application of equilibrium SOA partitioning. However, τ eq is prolonged and α eff is lowered over drylands and most regions in the upper troposphere, suggesting that kinetically limited growth would need to be considered for these regions in future large-scale model studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

The mechanism for acetate formation in electrochemical CO (2) reduction on Cu: selectivity with potential, pH, and nanostructuring

Nanostructured Cu catalysts have increased the selectivities and geometric activities for high value C–C coupled (C 2 ) products (ethylene, ethanol, and acetate) in the electrochemical CO (2) reduction reaction (CO (2) RR). The selectivity among the high-value C 2 products is also altered, where for instance the yield of acetate increases with alkalinity and is dependent on the catalyst morphology. The reaction mechanisms behind the selectivity towards acetate vs. other C 2 products remain controversial. In this work, we elucidate the reaction mechanism for acetate formation by using ab initio simulations, a coupled kinetic-transport model, and loading dependent experiments. We find that trends in acetate selectivity can be rationalized from variations in electrolyte pH and the local mass transport properties of the catalyst and not from changes in Cu's intrinsic activity. The selectivity mechanism originates from the transport of ketene, a stable (closed shell) intermediate, away from the catalyst surface into solution where it reacts to form acetate. While this type of mechanism has not yet been discussed in the CO (2) RR, variants of it may explain similar selectivity fluctuations observed for other stable intermediates like CO and acetaldehyde. Our proposed mechanism suggests that acetate selectivity increases with increasing pH, decreasing catalyst roughness and significantly varies with the applied potential.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1974

Lunar gravity via the Apollo 15 and 16 subsatellites

Dense Doppler tracking coverage of the Apollo 15 and 16 subsatellites over ten and eighteen day periods when periapsis altitudes were 15-50 km has provided detailed gravity mapping of the lunar frontside. Many new gravity features are revealed, including one that does not correlate with any visible topographic structure. All unfilled craters sampled are negative anomalies. The mascons consistently produce gravity heights that load the surface with about 800 kg/sq cm excess mass. The Orientale region is represented with a solution grid of 177 point masses that clearly show the ringed structure. The eastern limb is also displayed with a solution grid of point masses. The gravity variations over the central portion of the frontface are shown as line-of-sight acceleration contours in milligals.

Sjogren, W. L.↗

NASA NTRS1999

Interannual and Decadal Variability of Summer Rainfall over South America

Using the CPC (Climate Prediction Center) Merged Analysis of Precipitation product along with the Goddard Earth Observing System reanalysis and the Climate Analysis Center sea surface temperature (SST) data, we conduct a diagnostic study of the interannual and decadal scale variability of summer rainfall over South America. Results show three leading modes of rainfall variation identified with interannual, decadal, and long-term trend variability. Together, these modes explain more than half the total variance. The first mode is highly correlated with El Nino/southern oscillation (ENSO), showing severe drought over Northeast Brazil and copious rainfall over the Ecuador coast and the area of Uruguay-Southern Brazil in El Nino years. This pattern is attributed to the large scale zonal shift of the Walker circulation and local Hadley cell anomaly induced by positive (negative) SST anomaly over the eastern (western) equatorial Pacific. In El Nino years, two convective belts indicated by upper tropospheric velocity potential trough and mid-tropospheric rising motion, which are somewhat symmetric about the equator, extend toward the northeast and the southeast into the tropical North and South Atlantic respectively. Sandwiched between the ascent is a region of descending motion over Northeast Brazil. The southern branch of the anomalous Hadley cell is dynamically linked to the increase of rainfall over Uruguay-Southern Brazil. The regional response of anomalous circulation shows a stronger South American summer monsoon and an enhanced (weakened) subtropical high over the South Atlantic (South Pacific) Ocean. The decadal variation displays a meridional shift of the Intertropical Convergence Zone (ITCZ), which is tie to the anomalous cross-equatorial SST gradient over the Atlantic and the eastern Pacific. In conjunction with this mode is a large scale mass swing between the polar regions and midlatitudes in both hemispheres. Over the South Atlantic and the South Pacific, the changes of the strength of the subtropical high and the associated surface wind are dynamically consistent with the distribution of local SST anomalies, suggesting the importance of the atmospheric forcing in the decadal time scale. The decadal mode also presents a weak summer monsoon in its positive phase, which reduces the moisture supply from the equatorial Atlantic and the Amazon Basin and results in negative rainfall anomalies over the central Andes and Gran Chaco. The long-term trend shows decrease of rainfall from the northwest coast to the southeast subtropical region and a southward shift of Atlantic ITCZ that leads to increased rainfall over northern and eastern Brazil. Our result shows a close link of this mode to the observed SST warming trend over the subtropical South Atlantic and a remote connection to the interdecadal SST variation over the extratropical North Atlantic found in previous studies.

Zhou, Jiayu↗

NASA NTRS1976

Atomic oxygen-metal surface studies as applied to mass spectrometer measurements of upper planetary atmospheres

The problem of atomic oxygen loss in mass spectrometer ion sources can be reduced to an understanding of the possible surface interactions between oxygen atoms and the metal surface of the ion source. Results are presented for an experimental study in which an atomic oxygen beam apparatus and a mass spectrometer were used to measure the oxygen atom reflection, recombination, general surface reaction, and occlusion probabilities on six different engineering surfaces as a function of atomic oxygen exposure. The materials studied are gold, Nichrome V, aluminum, titanium, silver, and platinum. The variation in measured reflection probability seems to occur with metals that form oxides, Nichrome V being stable in terms of reflection stability. Recombination is observed an all surfaces except aluminum and platinum. Variation in the complete set of measurements in a single experiment is the result of varying surface conditions.

Sjolander, G. W.↗

NASA NTRS1992

The lunar environment and its effect on optical astronomy

The Moon's geologic environment features: (1) gravity field one-sixth that of Earth; (2) sidereal rotation period of 27.3 days; (3) surface with greater curvature than Earth's surface (a chord along a 10 km baseline would have a bulge of 7.2 m); (4) seismically and tidally stable platform on which to make astronomical observations (most moonquakes have magnitudes of 1 to 2 on the Richter scale, within the earth's seismic noise, resulting in ground motions only 1 nm); (5) tenuous atmosphere (the total mass at night is only 10(exp 4) kg) that has an optical depth of 10(exp -6) and does not cause wind induced stresses and vibrations on structures; (6) large diurnal temperature variation (100 to 385 K in equatorial regions), which telescopes must be designed to withstand; (7) weak magnetic field, ranging from 3 to 330 x 10(exp -9) T, compared to 3 x 10(exp -5) T on Earth at the equator; (8) surface exposed to radiation, the most dangerous of which are high energy (1 to 100 Mev) particles resulting from solar flares; (9) high flux of micrometeorites which are not slowed down from their cosmic velocities because of the lack of air (data indicate that microcraters greater than 10 microns across will form at the rate of 3000/sq m/yr); (10) regolith 2 to 30 m thick which blankets the entire lunar surface (this layer is fine-grained (average grain sizes range from 40 to 268 microns), has a low density (800 to 1000 kg/cu m in the upper few mm, rising to 1500 to 1800 kg/cu m at depths of 10 to 20 cm), is porous (35 to 45 pct), cohesive (0.1 to 1.0 kN/sq m), and has a low thermal diffusivity (0.7 to 1.0 x 110-8 sq m/sec); about 29 pct of the regolith is less than 20 micron in size (this dust could pose a hazard to optical telescopes); (11) rubbly upper several hundred meters in which intact bedrock is uncommon, especially in the lunar highlands; and (12) craters with diameter-to-depth ratios of 5 if fresh and less than km across (larger and eroded craters have diameter-to-depth ratios greater than 5).

Taylor, G. Jeffrey↗

NASA NTRS1977

Determination of the critical loads of shells by nondestructive methods

Two methods for determining the location of and load level to produce instability of compressed cylindrical shells are presented. The first relates the variation in the wall normal stiffness as a function of applied compressive force to the critical load. It uses the distribution of stiffness over the surface of the shell as a guide to buckle location. The second method associates the local dynamic mass with instability behavior. The test data presented show that either method will give excellent prediction capability from low-load-level data for shells of orthodox form. Neither method appears to apply to spirally stiffened shells. This is thought to be due to the fact that there is a substantial difference between the buckle pattern under axial compression and the imperfection shape induced by the normal displacement which is used to ascertain the wall stiffness and the dynamic mass.

Horton, W. H.↗

NASA NTRS1990

Preliminary design of a large tetrahedral truss/hexagonal panel aerobrake structural system

This paper introduces an aerobrake structural concept consisting of two primary components: (1) a lightweight erectable tetrahedral support truss, and (2) a heatshield composed of individual sandwich hexagonal panels which, when attached to the truss, function as a continuous aerobraking surface. A general preliminary analysis procedure to design the aerobrake components is developed, and values of the aerobrake design parameters which minimize the mass and packaging volume for a 120-foot-diameter aerobrake are determined. Sensitivity of the aerobrake design to variations in design parameters is also assessed.

Dorsey, John T.↗

NASA NTRS1994

Satellite Laser Ranging operations

Satellite Laser Ranging (SLR) is currently providing precision orbit determination for measurements of: 1) Ocean surface topography from satellite borne radar altimetry, 2) Spatial and temporal variations of the gravity field, 3) Earth and ocean tides, 4) Plate tectonic and regional deformation, 5) Post-glacial uplift and subsidence, 6) Variations in the Earth's center-of-mass, and 7) Variations in Earth rotation. SLR also supports specialized programs in time transfer and classical geodetic positioning, and will soon provide precision ranging to support experiments in relativity.

Pearlman, Michael R.↗

NASA NTRS2005

Closed Loop Active Flow Separation Detection and Control in a Multistage Compressor

Active closed loop flow control was successfully demonstrated on a full annulus of stator vanes in a low speed axial compressor. Two independent methods of detecting separated flow conditions on the vane suction surface were developed. The first technique detects changes in static pressure along the vane suction surface, while the second method monitors variation in the potential field of the downstream rotor. Both methods may feasibly be used in future engines employing embedded flow control technology. In response to the detection of separated conditions, injection along the suction surface of each vane was used. Injected mass flow on the suction surface of stator vanes is known to reduce separation and the resulting limitation on static pressure rise due to lowered diffusion in the vane passage. A control algorithm was developed which provided a proportional response of the injected mass flow to the degree of separation, thereby minimizing the performance penalty on the compressor system.

Bright, Michelle M.↗

DOE OSTI2022

The MASSIVE Survey. XVI. The Stellar Initial Mass Function in the Center of MASSIVE Early-type Galaxies

The stellar initial mass function (IMF) is a fundamental property in the measurement of stellar masses and galaxy star formation histories. In this work, we focus on the most massive galaxies in the nearby universe $\mathrm{log}({M}_{\star }/\,{M}_{\odot })\gt 11.2$. We obtain high-quality Magellan/LDSS-3 long-slit spectroscopy with a wide wavelength coverage of 0.4–1.01 μm for 41 early-type galaxies (ETGs) in the MASSIVE survey and derive high signal-to-noise spectra within an aperture of R e /8. Using detailed stellar synthesis models, we constrain the elemental abundances and stellar IMF of each galaxy through full spectral modeling. All the ETGs in our sample have an IMF that is steeper than a Milky Way (Kroupa) IMF. The best-fit IMF mismatch parameter, α IMF = (M/L)/(M/L) MW , ranges from 1.1 to 3.1, with an average of $\langle$α IMF $\rangle$ = 1.84, suggesting that on average, the IMF is more bottom heavy than Salpeter. Comparing the estimated stellar masses with the dynamical masses, we find that most galaxies have stellar masses that are smaller than their dynamical masses within the 1σ uncertainty. We complement our sample with lower-mass galaxies from the literature and confirm that $\mathrm{log}({\alpha }_{\mathrm{IMF}})$ is positively correlated with $\mathrm{log}(\sigma )$, $\mathrm{log}({M}_{\star })$, and $\mathrm{log}({M}_{\mathrm{dyn}})$. From the combined sample, we show that the IMF in the centers of more massive ETGs is more bottom heavy. In addition, we find that $\mathrm{log}({\alpha }_{\mathrm{IMF}})$ is positively correlated with both [Mg/Fe] and the estimated total metallicity [Z/H]. We find suggestive evidence that the effective stellar surface density Σ Kroupa might be responsible for the variation of α IMF . We conclude that σ, [Mg/Fe], and [Z/H] are the primary drivers of the global stellar IMF variation.

79 ASTRONOMY AND ASTROPHYSICS↗