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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Tipping points emerge from weak mutualism in metacommunities

The coexistence of obligate mutualists is often precariously close to tipping points where small environmental changes can drive catastrophic shifts in species composition. For example, microbial ecosystems can collapse by the decline of a strain that provides an essential resource on which other strains cross-feed. Here, we show that tipping points, ecosystem collapse, bistability and hysteresis arise even with very weak (non-obligate) mutualism provided the population is spatially structured. Based on numeric solutions of a metacommunity model and mean-field analyses, we demonstrate that weak mutualism lowers the minimal dispersal rate necessary to avoid stochastic extinction, while species need to overcome a mean threshold density to survive in this low dispersal rate regime. Our results allow us to make numerous predictions for mutualistic metacommunities regarding tipping points, hysteresis effects, and recovery from external perturbations, and let us draw general conclusions for ecosystems even with random, not necessarily mutualistic, interactions and systems with density-dependent dispersal rather than direct mutualistic interactions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

The Use of Microelectrodes in Molten Salt Electrochemistry

Molten salts have attracted considerable interest as essential media for advanced high-temperature technologies, including molten salt reactors, thermal energy storage, high-temperature electrolysis, and pyrochemical processing. Their ability to remain stable in liquid form at elevated temperatures, combined with favorable thermophysical properties and wide electrochemical windows, makes them highly suitable for applications involving heat transfer, energy storage, and hightemperature electrochemical processing. However, despite these advantages, molten salts present challenges due to their chemically reactive nature at high-temperatures, especially in the presence of oxidizing impurities. Salt chemistry can fluctuate through interactions with impurities over time, or fuel burnup in the case of molten salt reactors, often leading to the dissolution of metal species. This dynamic environment not only results in complex redox behavior but also promotes corrosion, which is rarely uniform and frequently manifests as localized degradation driven by structural materials’ compositional differences, electrochemical imbalances, and microstructural susceptibilities.

Kim, Changkyu [University of Wisconsin-Madison, WI↗
DOE OSTI2023

Make Selenium Reactive Again: Activating Elemental Selenium for Synthesis of Metal Selenides Ranging from Nanocrystals to Large Single Crystals

The inertness of elemental selenium is a significant obstacle in the synthesis of selenium-containing materials at low reaction temperatures. Over the years, several recipes have been developed to overcome this hurdle; however, most of the methods are associated with the use of highly toxic, expensive, and environmentally harmful reagents. As such, there is an increasing demand for the design of cheap, stable, and nontoxic reactive selenium precursors usable in the low-temperature synthesis of transition metal selenides with vast applications in nanotechnology, thermoelectrics, and superconductors. Herein, a novel synthetic route has been developed for activating elemental selenium by using a solvothermal approach. By comprehensive 77 Se NMR, Raman, and infrared spectroscopies and gas chromatography–mass spectrometry, we show that the activated Se solution contained HSe – , [Se–Se] 2– , and Se 2– ions, as well as dialkyl selenide (R 2 Se) and dialkyl diselenide (R–Se–Se–R) species in dynamic equilibrium. This also corresponded to the first observation of naked Se 2 2– in solution. The versatility of the developed Se precursor was demonstrated by the successful synthesis of (i) the polycrystalline room-temperature modification of the β-Ag 2 Se thermoelectric material; (ii) large single crystals of superconducting β-FeSe; (iii) CdSe nanocrystals with different particle sizes (3–10 nm); (iv) nanosheets of PtSe 2 ; and (v) mono- and dibenzyl selenides and diselenides at room temperature. In conclusion, The simplicity and diversity of the developed Se activation method holds promise for applied and fundamental research.

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

Insights into water extraction and aggregation mechanisms of malonamide-alkane mixtures

Structure at the nanoscale in the organic phase of liquid–liquid extraction systems is often tied to separation performance. However, the weak interactions that drive extractant assembly lead to poorly defined structures that are challenging to identify. Here, in this work, we investigate the mechanism of water extraction for a malonamide extractant commonly applied to f-element separations. We measure extractant concentration fluctuations in the organic phase with small angle X-ray scattering (SAXS) before and after contact with water at fine increments of extractant concentration, finding no qualitative changes upon water uptake that might suggest significant nanoscopic reorganization of the solution. The critical composition for maximum fluctuation intensity is consistent with small water–extractant adducts. The extractant concentration dependence of water extraction is consistent with a power law close to unity in the low concentration regime, suggesting the formation of 1 : 1 water–extractant adducts as the primary extraction mechanism at low concentration. At higher extractant concentrations, the power law slope increases slightly, which we find is consistent with activity effects modeled using Flory–Huggins theory without introduction of additional extractant–water species. Molecular dynamics simulations are consistent with these findings. The decrease in interfacial tension with increasing extractant concentration shows a narrow plateau region, but it is not correlated with any change in fluctuation or water extraction trends, further suggesting no supramolecular organization such as reverse micellization. This study suggests that water extraction in this system is particularly simple: it relies on a single mechanism at all extractant concentrations, and only slightly enhances the concentration fluctuations characteristic of the dry binary extractant/diluent mixture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1987

A new PNS code for chemical nonequilibrium flows

A new parabolized Navier-Stokes (PNS) code has been developed to compute the hypersonic laminar flow of a multicomponent, chemically reacting mixture of thermally perfect gases over two-dimensional and axisymmetric bodies. The new PNS code solves the gas dynamic and species conservation equations in a coupled manner using a noniterative, implicit, space-marching finite-difference method. The conditions for well-posedness of the space-marching method have been derived from an eigenvalue analysis of the governing equations. The code has been used to compute hypersonic laminar flow of chemically reacting air over wedges and cones. The results of these computations are in good agreement with the results of reacting boundary-layer calculations.

Prabhu, D. K.↗
NASA NTRS1988

Numerical computation of space shuttle orbiter flow field

A new parabolized Navier-Stokes (PNS) code has been developed to compute the hypersonic, viscous chemically reacting flow fields around 3-D bodies. The flow medium is assumed to be a multicomponent mixture of thermally perfect but calorically imperfect gases. The new PNS code solves the gas dynamic and species conservation equations in a coupled manner using a noniterative, implicit, approximately factored, finite difference algorithm. The space-marching method is made well-posed by special treatment of the streamwise pressure gradient term. The code has been used to compute hypersonic laminar flow of chemically reacting air over cones at angle of attack. The results of the computations are compared with the results of reacting boundary-layer computations and show excellent agreement.

Tannehill, John C.↗
NASA NTRS1988

An upwind parabolized Navier-Stokes code for chemically reacting flows

A new upwind, parabolized Navier-Stokes (PNS) code has been developed to compute the hypersonic, viscous, chemically reacting flow around two-dimensional or axisymmetric bodies. The new code is an extension of the upwind (perfect gas) PNS code of Lawrence et al. (1986). The upwind algorithm is based on Roe's flux-difference splitting scheme which has been modified to account for real gas effects. The algorithm solves the gas dynamic and species continuity equations in a 'loosely' coupled manner. The new code has been validated by computing the laminar flow (at free stream Mach number 25) of chemically reacting air over a wedge and a cone. The results of these computations are compared with the results from a centrally-differenced, fully coupled, nonequilibrium PNS code. The agreement is excellent, except in the vicinity of the shock wave where the present code exhibits superior shock capturing capabilities.

Tannehill, John C.↗
NASA NTRS1990

A three-dimensional upwind parabolized Navier-Stokes code for chemically reacting flows

A new upwind, parabolized Navier-Stokes (PNS) code has been developed to compute the three-dimensional flow of chemically reacting air around hypersonic vehicles. The code is a modification of the perfect gas, three-dimensional UPS code of Lawrence et al. (1986) which has been extended in the present study to permit the calculation of hypersonic, viscous flows in chemical nonequilibrium. The algorithm solves the PNS equations using a finite-volume, upwind TVD method based on Roe's approximate Riemann solver that has been modified to account for real gas effects. The present code solves the fluid dynamic and species continuity equations in a loosely-coupled manner. The fluid medium is assumed to be a chemically reacting mixture of thermally perfect (but calorically imperfect) gases in thermal equilibrium. Results are presented for the hypersonic laminar flow over a cone at 0- and 10-deg angles of attack and for a generic hypersonic vehicle. Calculations are performed assuming either perfect gas, equilibrium air, or finite-rate chemistry.

Buelow, Philip E.↗
NASA NTRS2021

Colorado River Basin Water Resources: Pairing Phenology Citizen Science Observations with NASA Earth Observations to Monitor Riparian Vegetation

Native plant species in the Colorado River Basin are currently threatened by non-native species that are changing resource competition dynamics. Monitoring native species is essential for understanding changes in plant health throughout the year as well as how species’ distributions change inter-annually. However, current monitoring of species is limited to local efforts and cannot be efficiently conducted across more extensive regions of the basin. Project partners, including the USA National Phenology Network, United States Geological Survey, and Educating Children Outdoors, provided data and on-the-ground expertise to assist the project. NASA Earth observations, including Landsat 8 Operational Land Imager (OLI), Aqua and Terra Moderate Resolution Imaging Spectroradiometer (MODIS), and Sentinel-2 MultiSpectral Instrument (MSI) from the European Space Agency, provided remote sensing data that covers the large spatial extent of the basin. This study combined both data sources over the study period of 2013 – 2019 and explored the relationship between on-the-ground phenology observations and remotely sensed phenology signals. The team found that pairing the datasets required spatial coordinates to be accurately logged and that it was necessary to have consistent observations throughout the year by citizen scientists. The team found promising relationships between phenology observations and the two vegetation indices, normalized difference vegetation index (NDVI) and enhanced vegetation index (EVI), when study locations were in an area with a high proportion of vegetation within a satellite pixel. The results and methods outlined in this study create new opportunities to leverage remote sensing alongside citizen science data for widespread monitoring of non-native species.

Tyler Pantle↗
DOE OSTI2024

On the importance of species immiscibility in mixing-layer dynamics at supercritical pressures

The mixing dynamics of injected propellants is a key factor in determining the ignition performance and combustion-instability response of rocket engines, internal combustion engines, and gas turbines. A key source of uncertainty in the prediction of phase-exchange dynamics is the immiscibility of the injected propellants at supercritical pressure conditions, which induces liquid/vapor phase separation and surface-tension dynamics. While experimental observations indicate the presence of liquid/vapor interfacial structures, this interfacial dynamics is typically neglected in numerical analyses. To address this issue, the objective of the present study is to systematically evaluate the importance of species immiscibility on the phase-exchange dynamics of cryogenic LOX/GH2 mixing layers at typical rocket engine injection conditions. This is accomplished by comparing simulations of (i) a recently developed interface-capturing Regularized-Interface Method (RIM) formulation, and (ii) the commonly employed Diffuse-Interface Method (DIM) formulation. Analysis shows that the interfacial dynamics significantly impact the atomization and mixing of the propellants in the near-injector region, which is not captured by the DIM formulation. The findings of this study extend to other immiscible injection systems, such as LOX/kerosene and hydrocarbon-fuel/air, thereby highlighting the importance of resolving species immiscibility in simulating high-pressure combustion engines.

diffused-interface method↗
NASA NTRS2013

NIR Imaging Spectroscopy of the Inner Few Arcseconds of NGC 4151 with OSIRIS at Keck

We present H- and K-band data from the inner arcsecond of the Seyfert 1.5 galaxy NGC 4151 obtained with the adaptive optics assisted near-infrared imaging field spectrograph OSIRIS at the Keck Observatory. The angular resolution is about a few parsecs on-site and thus competes easily with optical images taken previously with the Hubble Space Telescope. We present the morphology and dynamics of most species detected but focus on the morphology and dynamics of the narrow line region (as traced by emission of [FeII]λ1.644 μm), the interplay between plasma ejected from the nucleus (as traced by 21 cm continuum radio data) and hot H2 gas and characterize the detected nuclear HeIλ2.058 μm absorption feature as a narrow absorption line (NAL) phenomenon. Emission from the narrow line region (NLR) as traced by [FeII] reveals a biconical morphology and we compare the measured dynamics in the [FeII] emission line with models proposing acceleration of gas in the NLR and simple ejection of gas into the NLR. In the inner 2.5 arcseconds the acceleration model reveals a better fit to our data than the ejection model.We also see evidence that the jet very locally enhances emission in [FeII] at certain positions in our field-of-view such that we were able to distinct the kinematics of these clouds from clouds generally accelerated in the NLR. Further, the radio jet is aligned with the bicone surface rather than the bicone axis such that we assume that the jet is not the dominant mechanism responsible for driving the kinematics of clouds in the NLR. The hot H2 gas is thermal with a temperature of about 1700 K. We observe a remarkable correlation between individual H2 clouds at systemic velocity with the 21 cm continuum radio jet. We propose that the radio jet is at least partially embedded in the galactic disk of NGC 4151 such that deviations from a linear radio structure are invoked by interactions of jet plasma with H2 clouds that are moving into the path of the jet because of rotation of the galactic disk of NGC 4151. Additionally, we observe a correlation of the jet as traced by the radio data, with gas as traced in Brγ and H2, at velocities between systemic and +/- 200 km/s at several locations along the path of the jet. The HeIλ2.058 μm line in NGC 4151 appears in emission with a blueshifted absorption component from an outflow. The emission (absorption) component has a velocity offset of 10 km/s (-280 km/s) with a Gaussian (Lorentzian) full-width (half-width) at half maximum of 160 km/s (440 km/s). The absorption component remains spatially unresolved and its kinematic measures differ from that of UV resonance absorption lines. From the amount of absorption we derive a lower limit of the HeI 2S column density of 1 × 10(exp 14) cm−2 with a covering factor along the line-of-sight of C(sub los) approximately equal to 0.1.

K-band data↗
NASA NTRS1987

Application of a flux-split algorithm to chemically relaxing, hypervelocity blunt-body flows

Viscous, nonequilibrium, hypervelocity flow fields over two axisymmetric configurations are numerically simulated using a factored, implicit, flux-split algorithm. The governing gas-dynamic and species-continuity equations for laminar flow are presented. The gas-dynamics/nonequilibrium-chemistry coupling procedure is developed as part of the solution procedure and is described in detail. Numerical solutions are presented for hypervelocity flows over a hemisphere and over an axisymmetric aeroassisted orbital transfer vehicle using three different chemistry models. The gas models considered are those for an ideal gas, for a frozen gas, and for chemically relaxing air consisting of five species. The calculated results are compared with existing numerical solutions in the literature along the stagnation line of the hemisphere. The effects of free-stream Reynolds number on the nonequilibrium flow field are discussed.

Balakrishnan, A.↗
NASA NTRS2021

Streaming Instability with Multiple Dust Species – II. Turbulence and Dust–Gas Dynamics at Non-Linear Saturation

The streaming instability is a fundamental process that can drive dust–gas dynamics and ultimately planetesimal formation inprotoplanetary discs. As a linear instability, it has been shown that its growth with a distribution of dust sizes can be classifiedinto two distinct regimes, fast- and slow-growth, depending on the dust-size distribution and the total dust-to-gas density ratio. Using numerical simulations of an unstratified disc, we bring three cases in different regimes into non-linear saturation. Wefind that the saturation states of the two fast-growth cases are similar to its single-species counterparts. The one with maximumdimensionless stopping timeτs,max=0.1 and=2 drives turbulent vertical dust–gas vortices, while the other withτs,max=2and=0.2 leads to radial traffic jams and filamentary structures of dust particles. The dust density distribution for the former isflat in low densities, while the one for the latter has a low-end cut-off. By contrast, the one slow-growth case results in a virtuallyquiescent state. Moreover, we find that in the fast-growth regime, significant dust segregation by size occurs, with large particlesmoving towards dense regions while small particles remain in the diffuse regions, and the mean radial drift of each dust speciesis appreciably altered from the (initial) drag-force equilibrium. The former effect may skew the spectral index derived frommultiwavelength observations and change the initial size distribution of a pebble cloud for planetesimal formation. The latteralong with turbulent diffusion may influence the radial transport and mixing of solid materials in young protoplanetary discs.

Chao-chin Yang↗
DOE OSTI2023

Scavenging dynamics on Guam and implications for invasive species management

Deployment of mouse carcasses laced with acetaminophen has become a common management tool to control invasive brown tree snakes (Boiga irregularis; BTS) on Guam. Additionally, anticoagulant rodenticides may be used to control invasive rats (Rattus spp.) if their populations increase due to predator release in the wake of BTS eradication. However, there has been little research examining how scavengers on Guam could be incidentally exposed to toxicants by scavenging carcasses of animals that die from these population control strategies. Furthermore, there is a limited understanding of how the proliferation of invasive species on Guam has influenced the composition of the scavenger community. We investigated these topics by examining scavenger consumption of mouse, rat, and BTS carcasses on Guam in both a coastal and upland site during the wet (May–Aug 2016) and dry season (Jan–Apr 2017). We documented carcass consumption by 9 species, which scavenged 48% of carcasses. Interactions between season, habitat, and carcass type influenced probability of scavenging, and appeared to be driven by consumption by the two main scavenger species, BTS and cane toads (Rhinella marina), both of which are invasive on Guam. Baiting programs should consider the potential for toxin exposure to land crabs (Coenobita spp., Birgus latro), native species that scavenged at every combination of carcass type, habitat, and season. Altogether, 60% of scavenging events were attributed to species considered pests that are recent introductions to Guam. Invasive species on Guam are the primary scavengers of small vertebrate carrion, suggesting a substantial role in trophic dynamics that extends beyond predation.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1990

Analysis of observations of the middle atmosphere from satellites

Satellite data are being used to investigate problems in middle atmosphere chemistry and dynamics. Efforts have been focused primarily on studies to determine the quality of observed distributions of trace species and derived dynamical quantities. Those data have been used as diagnostics for model-derived constituent profiles and fields and for improving our understanding of some of the fundamental processes occurring in the middle atmosphere. Temperatures and derived winds from Nimbus 7 Limb Infrared Monitoring of the Stratosphere (LIMS) data were compared with long-time series of rawinsonde data at Invercargill, New Zealand, and Berlin, West Germany, and the results are excellent for both quantities. It was also demonstrated that more highly-derived dynamical quantities can be obtained reliably from those LIMS fields. Furthermore, both the diabatic and residual-mean circulations derived using LIMS data agree qualitatively with changes in the distribution of trace species determined independently with the Nimbus 7 SAMS and LIMS experiments. Subsequently, an examination of LIMS data at mid to high latitudes of the Southern Hemisphere has revealed a synoptic-scale, upper stratospheric instability during late autumn that is associated with the development of the stratospheric polar jet. Investigation of this phenomenon continues with Stratospheric Sounding Unit (SSU) data sets.

Remsberg, Ellis E.↗
DOE OSTI2025

Active Sites in the Dealuminated Beta Zeolite-Supported Cobalt Catalyst for Non-Oxidative Ethane Dehydrogenation

Dispersed metal species in siliceous zeolites have been actively studied for non-oxidative dehydrogenation of ethane (NDE). Fundamental insights into the dynamics of metal species in zeolites under reaction conditions have rarely been explored. Herein, we report an atomic level understanding of the dynamics and activity of cobalt (Co) sites in dealuminated Beta zeolite (DeAl-BEA) for NDE during induction and reaction conditions with extensive characterization techniques such as diffuse reflectance UV–vis, solid state nuclear magnetic resonance and X-ray photoelectron, X-ray diffraction along with in situ Fourier transform infrared and X-ray absorption spectroscopy. For a catalyst with 0.5 mass % Co loading, tetrahedral Co 2+ mononuclear sites, di-coordinated to the zeolite framework and with two silanol groups in vicinity (i.e., (≡SiO) 2 Co(HO–Si≡) 2 ), form upon exposure to hydrogen during induction and persist through the NDE reaction. Increasing the Co loading to 3.0 mass % yielded Co sites with similar electronic and coordination structures but slightly elongated Co–O bonds. Upon cooling to room temperature, the Co sites persisted in the same coordination environment, though the disappearance of a feature in the Co K-edge near-edge region revealed changes in the active site’s electronic structure coinciding with modest shifts in bond lengths. The electronic structure and activity of (≡SiO) 2 Co(HO–Si≡) 2 sites were studied comparatively to a few other hypothetical Co 2+ coordination structures, using electronic structure calculations and microkinetic simulations. The simulations showed that NDE is controlled by β-hydride elimination following C–H bond activation and that Co-sites possessing flexibility because of neighboring silanol defects are more active. Interestingly, dinuclear Co–O–Co sites (i.e., (≡SiO)Co(HO–Si≡) 2 –O–(HO–Si≡) 2 Co(≡SiO)) were more active than the mononuclear (≡SiO) 2 Co(HO–Si≡) 2 sites because of favorable hydrogen bonding with the vicinal silanol groups. In conclusion, the present study bridges the gap between the knowledge acquired by ex-situ characterizations and the active sites under the reaction conditions in alkane dehydrogenation chemistry.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Numerical simulations of the seasonal/latitudinal variations of atomic oxygen and nitric oxide in the lower thermosphere and mesosphere

A 2-Dimensional zonally-averaged thermospheric model and the global University College London (UCL) thermospheric model have been used to investigate the seasonal, solar activity and geomagnetic variation of atomic oxygen and nitric oxide. The 2-dimensional model includes detailed oxygen and nitrogen chemistry, with appropriate completion of the energy equation, by adding the thermal infrared cooling by O and NO. This solution includes solar and auroral production of odd nitrogen compounds and metastable species. This model has been used for three investigations; firstly, to study the interactions between atmospheric dynamics and minor species transport and density; secondly, to examine the seasonal variations of atomic oxygen and nitric oxide within the upper mesosphere and thermosphere and their response to solar and geomagnetic activity variations; thirdly, to study the factor of 7 to 8 peak nitric oxide density increase as solar F sub 10.7 cm flux increases from 70 to 240 reported from the Solar Mesospheric Explorer. Auroral production of NO is shown to be the dominant source at high latitudes, generating peak NO densities a factor of 10 greater than typical number densities at low latitudes. At low latitudes, the predicted variation of the peak NO density, near 110 km, with the solar F sub 10.7 cm flux is rather smaller than is observed. This is most likely due to an overestimate of the soft X-ray flux at low solar activity, for times of extremely low support number, as occurred in June 1986. As observed on pressure levels, the variation of O density is small. The global circulation during solstice and periods of elevated geomagnetic activity causes depletion of O in regions of upwelling, and enhancements in regions of downwelling.

Rees, D.↗