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DOE OSTI2022

Improved Measurements of Galaxy Star Formation Stochasticity from the Intrinsic Scatter of Burst Indicators

Abstract Measurements of short-timescale star formation variations (i.e., “burstiness” or star formation stochasticity) are integral to our understanding of star formation feedback mechanisms and the assembly of stellar populations in galaxies. We expand upon the work of Broussard et al. by introducing a new analysis of galaxy star formation burstiness that accounts for variations in the Q sg = E B − V stars / E B − V gas distribution, a major confounding factor. We use Balmer decrements from the MOSFIRE Deep Evolution Field (MOSDEF) survey to measure Q sg , which we use to construct mock catalogs from the Santa Cruz Semi-Analytic Models and Mufasa cosmological hydrodynamical simulation based on 3D-HST, Fiber Multi-Object Spectrograph (FMOS)-COSMOS, and MOSDEF galaxies with H α detections. The results of the mock catalogs are compared against observations using the burst indicator η = log 10 ( SFR H α / SFR NUV ) , with the standard deviation of the η distribution indicating burstiness. We find decent agreement between mock and observed η distribution shapes; however, the FMOS-COSMOS and MOSDEF mocks show a systematically low median and scatter in η in comparison to the observations. This work also presents the novel approach of analytically deriving the relationship between the intrinsic scatter in η , scatter added by measurement uncertainties, and observed scatter, resulting in an intrinsic burstiness measurement of 0.06–0.16 dex.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Mixing of Condensable Constituents with H–He during the Formation and Evolution of Jupiter

Simulations of Jupiter's formation are presented that incorporate mixing of H–He with denser material entering the planet as solids. Heavy compounds and gas mix substantially when the planet becomes roughly as massive as Earth, because incoming planetesimals can fully vaporize. Supersaturation of vaporized silicates causes the excess to sink as droplets, but water remains at higher altitudes. Because the mean molecular weight decreases rapidly outward, some of the compositional inhomogeneities produced during formation can survive for billions of years. After 4.57 Gyr, our Jupiter model retains compositional gradients; proceeding outward, one finds (i) an inner heavy-element core, the outer part derived from hot supersaturated rain-out; (ii) a composition-gradient region, containing most of the heavy elements, where H–He abundance increases outward, reaching about 0.9 mass fraction at 0.3 of the radius, with silicates enhanced relative to water in the lower parts and depleted in the upper parts; (iii) a uniform-composition region (neglecting He immiscibility) that is enriched over protosolar and contains most of the planet’s mass; and (iv) an outer region where cloud formation (condensation) of heavy constituents occurs. This radial compositional profile has heavy elements more broadly distributed than predicted by classical formation models but less diluted than suggested by Juno-constrained gravity models. The compositional gradients in the region containing the bulk of the heavy elements prevent convection, in both our models and those fitting current gravity, resulting in a hot interior where much of the accretion energy remains trapped.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

Formation, Stability and Magnetism of New Gd 3 TAl 3 Ge 2 Quaternary Compounds (T = Mn, Cu)

A study on the formation and stability of new quaternary compounds with the general chemical formula Gd 3 TAl 3 Ge 2 (T = Mn, Cu) has been undertaken by experimental investigations (SEM-EDX, DTA and XRD) and density functional theory (DFT) calculations. These compounds crystallize in the hexagonal Y 3 NiAl 3 Ge 2 -type structure (hP9, P–62m, Z = 1) (an ordered, quaternary derivative of the ternary ZrNiAl or of the binary Fe 2 P prototypes), with lattice parameters values a = 7.0239(2) Å and c = 4.2580(1) Å for Gd 3 MnAl 3 Ge 2 and a = 7.0434(1) Å and c = 4.2089(1) Å for Gd 3 CuAl 3 Ge 2 . DTA suggests a peritectic reaction for the formation of these compounds (at 1245°C for Gd 3 CuAl 3 Ge 2 ). The existence and stability of these phases has been explained on the basis of DFT calculations, and a comparison of ground state properties of the studied compounds with the earlier known Gd 3 CoAl 3 Ge 2 phase is outlined. The negative formation energies in all three cases govern the stability of compounds from theory as well, predicting Gd 3 MnAl 3 Ge 2 as the most stable phase with highest formation energy (–13.01 eV/f.u.). The total DOS are generic in nature and suggest the robust magnetism, with the Gd-f moments of ≈7 μ B . An antiparallel coupling among Gd-f and T-d states is observed for all compounds, as usually seen in rare earth (R) - transition metal (T) compounds. Preliminary magnetization measurements on Gd 3 MnAl 3 Ge 2 show two ferromagnetic/ferrimagnetic (FM/FIM) like transitions at T C1 = 142 K and T C2 = 97 K, with another anomaly seen at ≈15 K. Isothermal magnetization data show no hysteresis even at 5 K, and the magnetization does not saturate up to 50 kOe, further suggesting a possible FIM behavior.

36 MATERIALS SCIENCE↗

NASA NTRS2002

Formation metrology and control for large separated optics space telescopes

In this paper we present formation flying performance analysis initial results for a representative large space telescope composed of separated optical elements [Mett 02]. A virtual-structure construct (an equivalent rigid body) is created by unique metrology and control that combines both centralized and decentralized methods. The formation may be in orbit at GEO for super-resolution Earth observation, as in the case of Figure 1, or it may be in an Earth-trailing orbit for astrophysics, Figure 2. Extended applications are envisioned for exo-solar planet interferometric imaging by a formation of very large separated optics telescopes, Figure 3. Space telescopes, with such large apertures and f/10 to f/100 optics, are not feasible if connected by massive metering structures. Instead, the new virtual-structure paradigm of information and control connectivity between the formation elements provides the necessary spatial rigidity and alignment precision for the telescope.

formation flying virtual-structure telescopes↗

NASA NTRS2004

Guaranteed spatial initialization of distributed spacecraft formations

In a precious paper the authors developed a formation initialization (FI) algorithm for a deep space, N-spacecraft formation. It was demonstrated analytically that this FI contribution of this paper is to extend this planar guarantee to deep space formations with arbitrary initial conditions. As part of the guarantee of initialization, a bound on the time-to-initialize is obtained. The guaranteed FI algorithm is then demonstrated for a two-spacecraft formation with realistic deep space mission constraints (e.g. limited field-of-view relative sensors and attitude constraints). The two-spacecraft scenario is challenging in that it has the least relative sensor field-of-view overlap. Finally, for this scenario, the distribution of time-to-initialize is characterized through a 150,000-case Monte Carlo analysis.

initialization↗

NASA NTRS2006

Parallel Estimation and Control Architectures for Deep-Space Formation Flying Spacecraft

The formation flying of precisely controlled spacecraft in deep space can be used to implement optical instruments capable of imaging planets in other solar systems. The distance of the formation from Earth necessitates a significant level of autonomy and each spacecraft must base its actions on its estimates of the location and velocity of the other spacecraft. Precise coordination and control is the key requirement in such missions and the flow of information between spacecraft must be carefully designed. Doing this in an efficient and optimal manner requires novel techniques for the design of the on-board estimators. The use of standard Kalman filter-based designs can lead to unanticipated dynamics--which we refer to as disagreement dynamics--in the estimators' errors. We show how communication amongst the spacecraft can be designed in order to control all of the dynamics within the formation. We present several results relating the topology of the communication network to the resulting closed-loop control dynamics of the formation. The consequences for the design of the control, communication and coordination are discussed.

distributed control↗

NASA NTRS2021

Aerosol–Ice Formation Closure: A Southern Great Plains Field Campaign

Prediction of ice formation in clouds presents one of the grand challenges in the atmospheric sciences. Immersion freezing initiated by ice-nucleating particles (INPs) is the dominant pathway of primary ice crystal formation in mixed-phase clouds, where supercooled water droplets and ice crystals coexist, with important implications for the hydrological cycle and climate. However, derivation of INP number concentrations from an ambient aerosol population in cloud-resolving and climate models remains highly uncertain. We conducted an aerosol-ice formation closure pilot study using a field-observational approach to evaluate the predictive capability of immersion freezing INPs. The closure study relies on co-located measurements of the ambient size-resolved and single-particle composition and INP number concentrations. The acquired particle data serve as input in several immersion freezing parameterizations, that are employed in cloud-resolving and climate models, for prediction of INP number concentrations. We discuss in detail one closure case study in which a front passed through the measurement site, resulting in a change of ambient particle and INP populations. We achieved closure in some circumstances within uncertainties, but we emphasize the need for freezing parameterization of potentially missing INP types and evaluation of the choice of parameterization to be employed. Overall, this closure pilot study aims to assess the level of parameter details and measurement strategies needed to achieve aerosol-ice formation closure. The closure approach is designed to accurately guide immersion freezing schemes in models, and ultimately identify the leading causes for climate model bias in INP predictions.

ice formation↗

NASA NTRS2018

Reactive Transport and Mass Balance Modeling of the Stimson Sedimentary Formation and Altered Fracture Zones Constrain Diagenetic Conditions at Gale Crater, Mars

On a planet as cold and dry as present-day Mars, evidence of multiple aqueous episodes offers an intriguing view into very different past environments. Fluvial, lacustrine, and eolian depositional environments are being investigated by the Mars Science Laboratory Curiosityin Gale crater, Mars. Geochemical and mineralogical observations of these sedimentary rocks suggest diagenetic processes affected the sediments. Here, we analyze diagenesis of the Stimson formation eolian parent material, which caused loss of olivine and formation of magnetite. Additional, later alteration in fracture zones resulted in preferential dissolution of pyroxene and precipitation of secondary amorphous silica and Ca sulfate. The ability to compare the unaltered parent material with the reacted material allows constraints to be placed on the characteristics of the altering solutions. In this work we use a combination of a mass balance approach calculating the fraction of a mobile element lost or gained, τ, with fundamental geochemical kinetics and thermodynamics in the reactive transport code CrunchFlow to examine the characteristics of multiple stages of aqueous alteration at Gale crater, Mars. Our model results indicate that early diagenesis of the Stimson sedimentary formation is consistent with leaching of an eolian deposit by a near-neutral solution, and that formation of the altered fracture zones is consistent with a very acidic, high sulfate solution containing Ca, P and Si. These results indicate a range of past aqueous conditions occurring at Gale crater, Mars, with important implications for past Martian climate and environments.

Gale crater↗

DOE OSTI2019

Basin-wide gradients in dolomite d26Mg and 87Sr/86Sr identify the structural centre of the Williston Basin as a source of magnesium for dolomitization of the Middle Devonian Winnipegosis Formation

Dolomitized carbonates in the Williston Basin are common below the Middle Devonian Prairie Evaporite Formation, indicating a plausible role for brine-reflux as the source of Mg for dolomitization. However, the Lower Member Winnipegosis Formation, which directly underlies the evaporite sequence, exhibits dolomite 87Sr/86Sr ratios that are higher than expected for Middle Devonian seawater, instead suggesting that the dolomitizing fluids ascended from the deep basin where present-day formation waters are known to be more radiogenic. This interpretation is supported in this study by Mg isotope data showing a basin-scale gradient of increasing d26Mg values from the deep center (–2.03‰) to the edge (–1.34‰) of the Williston Basin along the lower Member Winnipegosis bed. Dolomite favors light isotopes of Mg when it forms, thus driving dolomitizing solutions, and the produced dolomite, towards heavier isotopic compositions in the direction of fluid flow. However, dolomite is also Mg-deficient when it forms, and its initial Mg isotope composition is susceptible to alteration by fluid-rock interactions occurring later in the depositional history of the deposit. We argue that the Mg isotope gradient in the Lower Member Winnipegosis was created by an ascending flow of isotopically light Mg-bearing fluid that differentially altered an earlier formed brine-reflux dolomite, with more alteration occurring deeper in the basin and less towards to edges. Alteration of pre-existing dolomite by an Mg isotope exchange mechanism requires large supplies of Mg. This fact, and the direction of fluid flow point to the underlying crystalline basement as an important Mg source for dolomitization in the Williston Basin. We speculate that ultramafic rocks supplied the Mg when they were hydrothermally altered during an anomalous heating event that affected the Williston Basin in the Late Devonian / Early Carboniferous. Seismic pumping drove these fluids upwards through fracture networks in the crust, and eventually into the deep center of the Williston Basin along vertically-oriented down-to-the-basement faults, pressuring deep aquifers like the Winnipegosis, which resulted in fluids migrating up the stratigraphic dip of the beds towards the edges of the basin. Plotting and contouring the dolomite d26Mg data on a map of the Williston Basin reveals the pathways taken by the migrating fluids. One prominent pathway extending outwards from the center of the basin towards the northeast bears a strong resemblance to petroleum migration fairways deduced for the underlying Late Ordovician Red River Formation. This study demonstrates that Mg isotopic mapping of large dolomite bodies is a useful tool for deciphering fluid flow histories in sedimentary basins and may assist in locating migrated petroleum and Mississippi Valley Type ore deposits.

Magnesium Isotopes, Strontium Isotopes, Dolomitiza↗

DOE OSTI2023

Formate as an Energy Source to Allow Sugar Fermentation with No Net CO2 Generation: Integration of Electrochemistry with Fermentation

This poster summarizes at a high-level the scope of various groups' work on Formate as an Energy Source to Allow Sugar Fermentation with No Net CO2 Generation: Integration of Electrochemistry with Fermentation. The goals of this research are to develop and demonstrate an integrated process that electrochemically generates formate from CO2 and use the formate as an energy source for the fermentation of sugars to fatty acid methyl esters (FAME) without net CO2 generation wherein formate provides reducing equivalents for sugar fermentation and a chemical looping reactor system takes advantage of intermittent low-cost electricity from wind and solar resources.

BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗

DOE OSTI2017

A dual-chamber method for quantifying the effects of atmospheric perturbations on secondary organic aerosol formation from biomass burning emissions: Investigation of Biomass Burning SOA

Biomass burning (BB) is a major source of atmospheric pollutants. Field and laboratory studies indicate that secondary organic aerosol (SOA) formation from BB emissions is highly variable. We investigated sources of this variability using a novel dual-smog-chamber method that directly compares the SOA formation from the same BB emissions under two different atmospheric conditions. During each experiment, we filled two identical Teflon smog chambers simultaneously with BB emissions from the same fire. We then perturbed the smoke with UV lights, UV lights plus nitrous acid (HONO), or dark ozone in one or both chambers. These perturbations caused SOA formation in nearly every experiment with an average organic aerosol (OA) mass enhancement ratio of 1.78 ± 0.91 (mean ± 1σ). However, the effects of the perturbations were highly variable ranging with OA mass enhancement ratios ranging from 0.7 (30% loss of OA mass) to 4.4 across the set of perturbation experiments. There was no apparent relationship between OA enhancement and perturbation type, fuel type, and modified combustion efficiency. To better isolate the effects of different perturbations, we report dual-chamber enhancement (DUCE), which is the quantity of the effects of a perturbation relative to a reference condition. DUCE values were also highly variable, even for the same perturbation and fuel type. Gas measurements indicate substantial burn-to-burn variability in the magnitude and composition of SOA precursor emissions, even in repeated burns of the same fuel under nominally identical conditions. Therefore, the effects of different atmospheric perturbations on SOA formation from BB emissions appear to be less important than burn-to-burn variability.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2018

Island Formation Resulting From Radially Symmetric Flow Expansion

Island formation and distributary channel branching are important processes in prograding river deltas. In this study, we develop and test a new theory predicting the distance to islands and channel bifurcations based on fluid mass conservation and radially symmetric transport conditions. We analyze channelization and island formation using nine new and five existing delta experiments as well as four field deltas. The new experiments were designed to produce islands from initial deposition of a mouth bar. Before island formation, each bar evolved into a radially symmetric deposit with unchannelized flow over its top previously described as a topographic flow expansion. This morphology was stable to topographic perturbations, and its distal limit prograded basinward while maintaining a characteristic flow depth. Island formation and channel branching occurred on top of this deposit. We hypothesize that this distance (Ψ) is set by the location where boundary shear stress applied by expanding, radially averaged flow falls below the threshold of sediment motion. The model predicts that the distance to the first island scales with water discharge, scales inversely with flow depth, and scales with the inverse square root of median grain diameter. Finally, from experiment to field scales, distances to island locations are predicted within a factor of two.

58 GEOSCIENCES↗

DOE OSTI2021

Texture Formation in Polycrystalline Thin Films of All‐Inorganic Lead Halide Perovskite

Abstract Controlling grain orientations within polycrystalline all‐inorganic halide perovskite solar cells can help increase conversion efficiencies toward their thermodynamic limits; however, the forces governing texture formation are ambiguous. Using synchrotron X‐ray diffraction, mesostructure formation within polycrystalline CsPbI 2.85 Br 0.15 powders as they cool from a high‐temperature cubic perovskite (α‐phase) is reported. Tetragonal distortions (β‐phase) trigger preferential crystallographic alignment within polycrystalline ensembles, a feature that is suggested here to be coordinated across multiple neighboring grains via interfacial forces that select for certain lattice distortions over others. External anisotropy is then imposed on polycrystalline thin films of orthorhombic (γ‐phase) CsPbI 3‐ x Br x perovskite via substrate clamping, revealing two fundamental uniaxial texture formations; i) I‐rich films possess orthorhombic‐like texture (<100> out‐of‐plane; <010> and <001> in‐plane), while ii) Br‐rich films form tetragonal‐like texture (<110> out‐of‐plane; <110> and <001> in‐plane). In contrast to relatively uninfluential factors like the choice of substrate, film thickness, and annealing temperature, Br incorporation modifies the γ‐CsPbI 3− x Br x crystal structure by reducing the orthorhombic lattice distortion (making it more tetragonal‐like) and governs the formation of the different, energetically favored textures within polycrystalline thin films.

Steele, Julian A.↗

DOE OSTI2022

Multiple Roles of Alkanethiolate‐Ligands in Direct Formation of H 2 O 2 over Pd Nanoparticles

Abstract Coadsorbed organic species including thiolates can promote direct synthesis of hydrogen peroxide from H 2 and O 2 over Pd particles. Here, density functional theory based kinetic modeling, augmented with activity measurements and vibrational spectroscopy are used to provide atomistic understanding of direct H 2 O 2 formation over alkylthiolate(RS) Pd. We find that the RS species are oxidized during reaction conditions yielding RSO 2 as the effective ligand. The RSO 2 ligand shows superior ability for proton transfer to the intermediate surface species OOH, which accelerates the formation of H 2 O 2 . The ligands promote the selectivity also by blocking sites for unselective water formation and by modifying the electronic structure of Pd. The work rationalizes observations of enhanced selectivity of direct H 2 O 2 formation over ligand‐funtionalized Pd nanoparticles and shows that engineering of organic surface modifiers can be used to promote desired hydrogen transfer routes.

Chen, Lin↗

DOE OSTI2016

Coke formation in a zeolite crystal during the methanol-to-hydrocarbons reaction as studied with atom probe tomography

Understanding the formation of carbon deposits in zeolites is vital to developing new, superior materials for various applications, including oil and gas conversion processes. Herein, atom probe tomography (APT) has been used to spatially resolve the 3D compositional changes at the sub-nm length scale in a single zeolite ZSM-5 crystal, which has been partially deactivated by the methanol-to-hydrocarbons reaction using 13 C-labeled methanol. The results reveal the formation of coke in agglomerates that span length scales from tens of nanometers to atomic clusters with a median size of 30–60 13 C atoms. These clusters correlate with local increases in Brønsted acid site density, demonstrating that the formation of the first deactivating coke precursor molecules occurs in nanoscopic regions enriched in aluminum. Here, this nanoscale correlation underscores the importance of carefully engineering materials to suppress detrimental coke formation.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Multiple Roles of Alkanethiolate‐Ligands in Direct Formation of H 2 O 2 over Pd Nanoparticles

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Enhancing capillary trapping effectiveness through proper time scheduling of injection of supercritical CO 2 in heterogeneous formations

The impact of geologic heterogeneity on capillary trapping of supercritical CO 2 (scCO 2 ) has been recognized and appraised through laboratory experimentation and modeling. However, how different injection strategies can be optimized to improve capillary trapping has not received adequate attention. Here, we present a study based on stochastic analysis to show the impact of injection scheduling on capillary trapping of scCO 2 in heterogeneous geological formations. Improvement of trapping efficiency consists of maximizing the trapped volume within a predefined secure zone of the storage formation with the goal of avoiding plume intersection with potential leakage pathways. Using knowledge acquired from physical experiments in intermediate-scale tanks with controlled heterogeneity, we conduct numerical simulations following a stochastic approach to extend the observed outcomes to a series of equally probable permeability scenarios. Our simulations involve the same combination of surrogate fluids that are used in the experiments to mimic viscosity and density contrasts between scCO 2 and brine. To account for uncertainty of formation heterogeneity, several permeability fields with three different variances and two horizontal correlation lengths are generated. The same volume of scCO 2 is emplaced using four different modes of injection scheduling. Results suggest that injection strategies aimed at enhancing capillary trapping of scCO 2 and increasing the probability of constraining the plume within a secure zone are strictly related to the specific heterogeneity of the reservoir. Finally, this preliminary theoretical finding suggests the potential for maximizing secure capillary trapping through the proper selection of injection schedule to fit the formation heterogeneity.

58 GEOSCIENCES↗

DOE OSTI2018

Enhanced biofilm formation aids adaptation to extreme warming and environmental instability in the diatom Thalassiosira pseudonana and its associated bacteria

Abstract Recent studies have highlighted the capacity of marine diatoms at the foundation of ocean food webs and biogeochemical cycles to respond to environmental change. These responses are a combination of physiological acclimation and evolutionary responses. The latter occur rapidly within a few hundred generations (translating to a scale of months to years), due to the large standing genetic variation and short generation times of diatom populations. Studies are usually carried out on diatom species in their planktonic state, but this may constitute a stark oversimplification: diatoms readily form biofilms in the water column of shallow coastal areas, where biofilm formation affects carbon export, and in the benthos, where biofilms contribute significantly to sediment stability. Here, I have carried out a 400‐generation selection experiment, where I evolved the diatom Thalassiosira pseudonana and its associated bacteria. Bacteria and diatom were cultured in their planktonic form, and under strong selection for rapid biofilm formation in temperature and nutrient regimes differing in their severity and stability. I find that biofilm formation is enhanced under mild warming and rapid thermal fluctuations but not under extreme warming regardless of nutrient availability. Evolutionary responses are slower in biofilms under benign conditions but speed up under extreme and fluctuating conditions. Taxonomic composition of the associated bacteria is driven by the temperature selection regime in biofilms but not in planktonic samples. I also show that T. pseudonana , when selected for biofilm formation, presents predictable and sequential morphologies that are not usually observed in planktonic T. pseudonana.

Schaum, C. ‐E.↗