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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Solid-state graphene formation via a nickel carbide intermediate phase [Nickel carbide (Ni 3 C) as an intermediate phase for graphene formation]

Direct formation of graphene with controlled number of graphitic layers on dielectric surfaces is highly desired for practical applications. Despite significant progress achieved in understanding the formation of graphene on metallic surfaces through chemical vapor deposition (CVD) of hydrocarbons, very limited research is available elucidating the graphene formation process via rapid thermal processing (RTP) of solid-state amorphous carbon, through which graphene is formed directly on dielectric surfaces accompanied by autonomous nickel evaporation. It is suggested that a metastable hexagonal nickel carbide (Ni 3 C) intermediate phase plays a critical role in transforming amorphous carbon to 2D crystalline graphene and contributing to the autonomous Ni evaporation. Temperature resolved carbon and nickel evolution in the RTP process is investigated using Auger electron spectroscopic (AES) depth profiling and glancing-angle X-ray diffraction (GAXRD). Formation, migration and decomposition of the hexagonal Ni 3 C are confirmed to be responsible for the formation of graphene and the evaporation of Ni at 1100 °C. The Ni 3 C-assisted graphene formation mechanism expands the understanding of Ni-catalyzed graphene formation, and provides insightful guidance for controlled growth of graphene through the solid-state transformation process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Delayed star formation in isolated dwarf galaxies: Hubble space telescope star formation history of the Aquarius dwarf irregular

We have obtained deep images of the highly isolated (d = 1 Mpc) Aquarius dwarf irregular galaxy (DDO 210) with the Hubble Space Telescope Advanced Camera for Surveys. The resulting color-magnitude diagram (CMD) reaches more than a magnitude below the oldest main-sequence turnoff, allowing us to derive the star formation history (SFH) over the entire lifetime of the galaxy with a timing precision of ≈10% of the lookback time. Using a maximum likelihood fit to the CMD we find that only ≈10% of all star formation in Aquarius took place more than 10 Gyr ago (lookback time equivalent to redshift z ≈ 2). The star formation rate increased dramatically ≈6-8 Gyr ago (z ≈ 0.7-1.1) and then declined until the present time. The only known galaxy with a more extreme confirmed delay in star formation is Leo A, a galaxy of similar M {sub H} {sub I}/M {sub *}, dynamical mass, mean metallicity, and degree of isolation. The delayed stellar mass growth in these galaxies does not track the mean dark matter accretion rate from CDM simulations. The similarities between Leo A and Aquarius suggest that if gas is not removed from dwarf galaxies by interactions or feedback, it can linger for several gigayears without cooling in sufficient quantity to form stars efficiently. We discuss possible causes for the delay in star formation including suppression by reionization and late-time mergers. We find reasonable agreement between our measured SFHs and select cosmological simulations of isolated dwarfs. Because star formation and merger processes are both stochastic in nature, delayed star formation in various degrees is predicted to be a characteristic (but not a universal) feature of isolated small galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

FORMATION AND EVOLUTION OF NUCLEAR STAR CLUSTERS WITH IN SITU STAR FORMATION: NUCLEAR CORES AND AGE SEGREGATION

Nuclear stellar cluster (NSCs) are known to exist around massive black holes (MBHs) in galactic nuclei. Two formation scenarios were suggested for their origin: (1) buildup of NSCs from consecutive infall of stellar clusters and (2) continuous in situ star formation. Though the cluster infall scenario has been extensively studied, the in situ formation scenario has been hardly explored. Here we use Fokker-Planck (FP) calculations to study the effects of star formation on the buildup of NSCs and its implications for their long-term evolution and their resulting structure. We use the FP equation to describe the evolution of stellar populations and add appropriate source terms to account for the effects of newly formed stars. We show that continuous star formation even 1-2 pc away from the MBH can lead to the buildup of an NSC with properties similar to those of the Milky Way NSC. We find that the structure of the old stellar population in the NSC with in situ star formation could be very similar to the steady-state Bahcall-Wolf cuspy structure. However, its younger populations do not yet achieve a steady state. In particular, formed/evolved NSCs with in situ star formation contain differential age-segregated stellar populations that are not yet fully mixed. Younger stellar populations formed in the outer regions of the NSC have a cuspy structure toward the NSC outskirts, while showing a core-like distribution inward, with younger populations having larger core sizes. In principal, such a structure can give rise to an apparent core-like radial distribution of younger stars, as observed in the Galactic center.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Stacked Star Formation Rate Profiles of Bursty Galaxies Exhibit “Coherent” Star Formation

In a recent work based on 3200 stacked Hα maps of galaxies at z∼1, Nelson et al. find evidence for “coherent star formation”: the stacked star formation rate (SFR) profiles of galaxies above (below) the “star formation main sequence” (MS) are above (below) that of galaxies on the MS at all radii. One might interpret this result as inconsistent with highly bursty star formation and evidence that galaxies evolve smoothly along the MS rather than crossing it many times. We analyze six simulated galaxies at z∼1 from the Feedback in Realistic Environments (FIRE) project in a manner analogous to the observations to test whether the above interpretations are correct. The trends in stacked SFR profiles are qualitatively consistent with those observed. However, SFR profiles of individual galaxies are much more complex than the stacked profiles: the former can be flat or even peak at large radii because of the highly clustered nature of star formation in the simulations. Moreover, the SFR profiles of individual galaxies above (below) the MS are not systematically above (below) those of MS galaxies at all radii. We conclude that the time-averaged coherent star formation evident stacks of observed galaxies is consistent with highly bursty, clumpy star formation of individual galaxies and is not evidence that galaxies evolve smoothly along the MS.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

A reporting format for field measurements of soil respiration

Field observations of the soil-to-atmosphere CO2 flux–soil respiration, RS–are a prime example of ‘long tail’ data that historically have had neither centralized databases nor an agreed-upon reporting format. This has hindered scientific transparency, analytical reproducibility, and novel syntheses with respect to this globally-important component of the carbon cycle. Here we propose a new data and metadata reporting format for RS data, based on engagement with a wide range of researchers in the field as well as expert advisory panels. Our goal was a reporting format that would be relevant and useful for synthesis activities, and optimizing data discoverability and usability while not placing an undue burden on data contributors. We describe previous RS data collection efforts, lessons learned from related databases and data-oriented networks (e.g. FLUXNET) in earth and ecological sciences, and the process of community consultation. The proposed reporting format focuses on chamber-level data and metadata, specifying measurement conditions and, for a given measurement period defined by beginning and ending timestamps, a mean RS flux (or CO2 concentration) and associated ancillary measurements. Fundamentally, this format aims to enable findable, accessible, interoperable, and reusable data, while providing ‘future-proofing’ capabilities to support reanalyses using as yet unknown algorithms or approaches. Finally, this proposed RS reporting format is available online, and is intended to be a dynamic document, subject to further community feedback and/or change in the future.

Bond-Lamberty, Benjamin↗
DOE OSTI2020

Development of an autothermal formate-based hydrogen generator: From optimization of formate dehydrogenation conditions to thermal integration with Fuel Cells

Formate received significant attention for storing H2 in chemical bonds using the concept of H2 carriers. In this report, hydrogen generation from formate was optimized systematically by varying reaction variables. Initial mass activity with a turnover frequency of 3200 molH2 molPd–1 h–1 and 92% H2 yield were obtained in sodium formate (7 M 2.0 mL) dehydrogenation over Pd(3 wt %)/C at 80 °C. Influence of formate cations (Na, K, and NH4) on dehydrogenation was also elucidated, presenting that the fastest initial reaction kinetics was achieved with ammonium formate, whereas the highest H2 yield was obtained with potassium formate (PF) in multiple catalyst recycle tests. Finally, an on-site power generation system was integrated, where a proton exchange membrane fuel cell (PEMFC) was operated in conjunction with H2 produced from the custom developed semibatch dehydrogenation reactors. The system operation was demonstrated with continuous feeding of PF to generate H2 and power on demand without an external heat source by utilizing waste heat produced from the PEMFC in a highly efficient manner.

formate dehydrogenation, optimization of reaction ↗
DOE OSTI2016

Formation and Dehydration Enthalpy of Potassium Hexaniobate

The formation energetics of hydrous and dehydrated potassium hexaniobates are investigated using high‐temperature oxide melt solution calorimetry. The enthalpies of formation of K 4 Nb 6 O 17 and K 4 Nb 6 O 17 ·3H 2 O from oxides are (−864.42 ± 10.63) and (−899.32 ± 11.48) kJ/mol, respectively. The formation enthalpy of K 4 Nb 6 O 17 from elements is (−7289.64 ± 12.50) kJ/mol, and of K 4 Nb 6 O 17 ·3H 2 O is (−8181.94 ± 13.24) kJ/mol. The enthalpy of dehydration (Δ H dehy ) for the reaction K 4 Nb 6 O 17 ·3H 2 O (xl, 25°C) = K 4 Nb 6 O 17 (xl, 25°C) + 3H 2 O (l, 25°C) is endothermic and is 34.60 ± 7.56 kJ/mol. The Δ H dehy per mole of water, 11.53 ± 2.52 kJ/mol, indicates the water molecules in K 4 Nb 6 O 17 ·3H 2 O are not just physically adsorbed, but loosely bonded in the K 4 Nb 6 O 17 phase, presumably in specific interlayer sites. The loss of this water near 100°C on heating is consistent with the weak bonding of water.

Sahu, Sulata K.↗
DOE OSTI2014

Schottky contact formation on polar and non-polar AlN

The interfaces of m- and c-plane AlN with metals of different work functions and electro-negativities were characterized and the Schottky barrier heights were measured. The Schottky barrier height was determined by measuring the valence band maximum (VBM) with respect to the Fermi level at the surface (interface) before (after) metallization. VBM determination included accurate modeling and curve fitting of density of states at the valence band edge with the XPS data. The experimental behavior of the barrier heights could not be explained by the Schottky-Mott model and was modeled using InterFace-Induced Gap States (IFIGS). A slope parameter (S{sub X}) was used to incorporate the density of surface states and is a measure of Fermi level pinning. The experimental barriers followed theoretical predictions with a barrier height at the surface Fermi level (Charge neutrality level (CNL)) of ∼2.1 eV (∼2.7 eV) on m-plane (c-plane) and S{sub X} ∼ 0.36 eV/Miedema unit. Slope parameter much lower than 0.86 implied a surface/interface states dominated behavior with significant Fermi level pinning and the measured barrier heights were close to the CNL. Titanium and zirconium provided the lowest barriers (1.6 eV) with gold providing the highest (2.3 eV) among the metals analyzed on m-plane. It was consistently found that barrier heights decreased from metal polar to non-polar surfaces, in general, due to an increasing CNL. The data indicated that charged IFIGS compensate spontaneous polarization charge. These barrier height and slope parameter measurements provided essential information for designing Schottky diodes and other contact-based devices on AlN.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Using Ducted Fuel Injection to Attenuate Soot Formation in a Mixing-Controlled Compression Ignition Engine

Ducted fuel injection (DFI) has been introduced as a strategy to enhance the fuel/charge gas mixing within the combustion chamber of a direct-injection mixing-controlled compression ignition engine. The concept involves injecting each fuel spray through a small tube within the combustion chamber to facilitate the creation of a leaner mixture in the autoignition zone, relative to a conventional free-spray configuration (i.e., a fuel spray that is not surrounded by a duct). While previous experiments demonstrated that DFI lowers both soot incandescence and soot mass in a constant-volume combustion vessel with a single-component normal-alkane fuel (n-dodecane), here we provide the first evidence that the technology provides similar benefits in an engine application using a commercial diesel fuel containing ~30 wt% aromatics. The present study investigates the effects on engine-out emissions and efficiency with a two-orifice injector tip for charge gas mixtures containing 16 and 21 mol% oxygen. The result is that DFI is confirmed to be effective at curtailing engine-out soot emissions. It also breaks the tradeoff between emissions of soot and nitrogen oxides (NOx) by simultaneously attenuating soot and NO x with increasing dilution.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1993

Model for the formation of silicon carbide from the pyrolysis of dichlorodimethylsilane in hydrogen. I - Silicon formation from chlorosilanes. II - Silicon carbide formation from silicon and methane

In the first part of this work, a model is developed for the deposition of silicon from the reduction of silicon tetrachloride with hydrogen in a tubular reactor at 700-1100 C, at atmospheric pressure. The model is based on gas chromatography of the volatile products of the reaction, followed by gravimetric analysis of total Si deposition on the tube. In the second part of this work, a model is developed for the case of SiC deposition from the pyrolysis of dichlorodimethylsilane in hydrogen under the same reactor conditions. The rate constants derived from a nonlinear regression analysis are reported.

Cagliostro, Domenick E.↗
DOE OSTI2016

The effect of oxygen enrichment on soot formation and thermal radiation in turbulent, non-premixed methane flames

Non-premixed oxy-fuel combustion of natural gas is used in industrial applications where high-intensity heat is required, such as glass manufacturing and metal forging and shaping. In these applications, the high flame temperatures achieved by oxy-fuel combustion increase radiative heat transfer to the surfaces of interest and soot formation within the flame is desired for further augmentation of radiation. However, the high cost of cryogenic air separation has limited the penetration of oxy-fuel combustion technologies. New approaches to air separation are being developed that may reduce oxygen production costs, but only for intermediate levels of oxygen enrichment of air. To determine the influence of oxygen enrichment on soot formation and radiation, we developed a non-premixed coannular burner in which oxygen concentrations and oxidizer flow rates can be independently varied, to distinguish the effects of turbulent mixing intensity from oxygen enrichment on soot formation and flame radiation. Local radiation intensities, soot concentrations, and soot temperatures have been measured using a thin-film thermopile, planar laser-induced incandescence (LII), and two-color imaging pyrometry, respectively. The measurements show that soot formation increases as the oxygen concentration decreases from 100% to 50%, helping to moderate a decrease in overall flame radiation. An increase in turbulence intensity has a marked effect on flame height, soot formation and thermal radiation, leading to decreases in all of these. The soot temperature decreases with a decrease in the oxygen concentration and increases with an increase in turbulent mixing intensity. Altogether, the results suggest that properly designed oxygen-enriched burners that enhance soot formation for intermediate levels of oxygen purity may be able to achieve thermal radiation intensities as high as 85% of traditional oxy-fuel burners utilizing high-purity oxygen.

03 NATURAL GAS↗
DOE OSTI2016

CO2 Reduction Catalyzed by Nitrogenase: Pathways to Formate, Carbon Monoxide, and Methane

The reduction of N2 to NH3 by Mo-dependent nitrogenase at its active-site metal cluster FeMo-cofactor utilizes reductive elimination (re) of Fe-bound hydrides with obligatory loss of H2 to activate the enzyme for binding/reduction of N2. Earlier work showed that wild type nitrogenase and a nitrogenase with amino acid substitutions in the MoFe protein near FeMo-cofactor can catalytically reduce CO2 by 2 or 8 electrons/protons to carbon monoxide (CO) and methane (CH4) at low rates. Here, it is demonstrated that nitrogenase preferentially reduces CO2 by 2 electrons/protons to formate (HCOO-) at rates >10 times higher than rates of CO2 reduction to CO and CH4. The failure of H2 to inhibit CO2 reduction rules out a re mechanism in this case. Quantum mechanical (QM) calculations on the activated FeMo-cofactor with a bound hydride (E2(2H) state) favor a direct reaction of CO2 with the hydride (‘direct hydride transfer’ reaction pathway), with facile hydride transfer to CO2 yielding formate. In contrast, a significant barrier is observed for reaction of Fe-bound CO2 with the hydride (‘associative’ reaction pathway), which leads to CO and CH4. Remarkably, in the direct hydride transfer pathway, the Fe-H behaves as a hydridic hydrogen, whereas in the associative pathway it acts as a protic hydrogen. MoFe proteins with amino acid substitutions near FeMo-cofactor (a-70Val?Ala, a -195His?Gln) are found to significantly alter the distribution of products between formate and CO/CH4. This work is based upon work supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences (LCS and DRD), the Division of Chemical Sciences, Geosciences, and Bio-Sciences (SR) and the NIH (GM 111097; BMH).

Khadka, Nimesh↗
DOE OSTI2020

Efficient Nighttime Biogenic SOA Formation in a Polluted Residual Layer

Abstract Organic nitrates formed from nighttime reaction between anthropogenic nitrate radicals (NO3) and biogenic volatile organic compounds (BVOCs) are potentially an important but highly uncertain source of secondary organic aerosol (SOA). Here we report on the enhanced nighttime biogenic SOA formation observed in a polluted residual layer over Sacramento, California, the morning of 15 June 2010 during the Carbonaceous Aerosols and Radiative Effects Study (CARES). Trajectory analysis showed that the residual layer air, containing trace amounts of isoprene and monoterpenes left over after nighttime oxidation, was influenced by the San Francisco Bay Area emissions the previous evening. The residual layer aerosol was also enriched in nitrate, with about 64% of it estimated to be in the form of organic nitrates. The nitrate:organic mass ratio of the SOA was about 0.47±0.044, which corresponds to the range typically found in isoprene mononitrates. Assuming the SOA was composed of organic mononitrates, its nominal molecular weight was estimated at 186±11 g mol-1, consistent with the highly functionalized isoprene hydroxynitrates that have been observed in the particle phase in the southeast United States. Overall, our findings show that the efficiency of nighttime biogenic SOA formation, expressed as the change in organic aerosol mass relative to carbon monoxide (?OA/?CO), was about 100 µg m-3 ppmv, which falls in the range 77-157 µg m-3 ppmv previously estimated for enhanced daytime SOA formation from mixed anthropogenic and biogenic emissions during CARES.

Zaveri, Rahul A.↗