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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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Probing the Cys-Tyr Cofactor Biogenesis in Cysteine Dioxygenase by the Genetic Incorporation of Fluorotyrosine

Cysteine dioxygenase (CDO) is a nonheme iron enzyme that adds two oxygen atoms from dioxygen to the sulfur atom of L -cysteine. Adjacent to the iron site of mammalian CDO, there is a post-translationally generated Cys-Tyr cofactor, whose presence substantially enhances the oxygenase activity. The formation of the Cys-Tyr cofactor in CDO is an autocatalytic process, and it is challenging to study by traditional techniques because the cross-linking reaction is a side, uncoupled, single-turnover oxidation buried among multiple turnovers of L -cysteine oxygenation. Here, we take advantage of our recent success in obtaining a purely uncross-linked human CDO due to site-specific incorporation of 3,5-difluoro- L -tyrosine (F 2 -Tyr) at the cross-linking site through the genetic code expansion strategy. Using EPR spectroscopy, we show that nitric oxide ( • NO), an oxygen surrogate, similarly binds to uncross-linked F 2 -Tyr157 CDO as in wild-type human CDO. Additionally, we determined X-ray crystal structures of uncross-linked F 2 -Tyr157 CDO and mature wild-type CDO in complex with both L -cysteine and • NO. These structural data reveal that the active site cysteine (Cys93 in the human enzyme), rather than the generally expected tyrosine (i.e., Tyr157), is well-aligned to be oxidized should the normal oxidation reaction uncouple. This structure-based understanding is further supported by a computational study with models built on the uncross-linked ternary complex structure. Together, these results strongly suggest that the first target to oxidize during the iron-assisted Cys-Tyr cofactor biogenesis is Cys93. Based on these data, a plausible reaction mechanism implementing a cysteine radical involved in the cross-link formation is proposed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Effects of detailed geometry and real fluid thermodynamics on Spray G atomization

We present recent results toward the quantification of spray characteristics at engine conditions for an eight-hole counter-bored (stepped) GDI injector-Spray G in the ECN denomination. This computational study is characterized by two novel features: the detailed description of a real injector's internal surfaces via tomographic reconstruction; and a general equation of state that represents the thermodynamic properties of homogeneous liquid-vapor mixtures. The combined level-set moment-of-fluid approach, coupled to an embedded boundary formulation for moving solid walls, makes it possible to seamlessly connect the injector's internal flow to the spray. The Large Eddy Simulation (LES) discussed here presents evidence of partial hydraulic flipping and, during the closing transient, string cavitation. Results are validated by measurements of spray density profiles and droplet size distribution.

42 ENGINEERING↗
NASA NTRS1996

The Effect of Wake Passing on Turbine Blade Film Cooling

The effect of upstream blade row wake passing on the showerhead film cooling performance of a downstream turbine blade has been investigated through a combination of experimental and computational studies. The experiments were performed in a steady-flow annular turbine cascade facility equipped with an upstream rotating row of cylindrical rods to produce a periodic wake field similar to that found in an actual turbine. Spanwise, chordwise, and temporal resolution of the blade surface temperature were achieved through the use of an array of nickel thin-film surface gauges covering one unit cell of showerhead film hole pattern. Film effectiveness and Nusselt number values were determined for a test matrix of various injectants, injectant blowing ratios, and wake Strouhal numbers. Results indicated a demonstratable reduction in film effectiveness with increasing Strouhal number, as well as the expected increase in film effectiveness with blowing ratio. An equation was developed to correlate the span-average film effectiveness data. The primary effect of wake unsteadiness was found to be correlated well by a chordwise-constant decrement of 0.094-St. Measurable spanwise film effectiveness variations were found near the showerhead region, but meaningful unsteady variations and downstream spanwise variations were not found. Nusselt numbers were less sensitive to wake and injection changes. Computations were performed using a three-dimensional turbulent Navier-Stokes code which was modified to model wake passing and film cooling. Unsteady computations were found to agree well with steady computations provided the proper time-average blowing ratio and pressure/suction surface flow split are matched. The remaining differences were isolated to be due to the enhanced mixing in the unsteady solution caused by the wake sweeping normally on the pressure surface. Steady computations were found to be in excellent agreement with experimental Nusselt numbers, but to overpredict experimental film effectiveness values. This is likely due to the inability to match actual hole exit velocity profiles and the absence of a credible turbulence model for film cooling.

Heidmann, James David↗
DOE OSTI2019

Block excitonic condensate at n = 3.5 in a spin-orbit coupled t 2 g multiorbital Hubbard model

Theoretical studies recently predicted the condensation of spin-orbit excitons at momentum $q={\pi}$ in ${t}_{2g}^{4}$ spin-orbit coupled three-orbital Hubbard models at electronic density $n=4$. In parallel, experiments involving iridates with noninteger valence states for the Ir ions are starting to attract considerable attention. Using the density matrix renormalization group technique we present evidence for the existence of an excitonic condensate at $n=3.5$ in a one-dimensional Hubbard model with a degenerate ${t}_{2g}$ sector, when in the presence of spin-orbit coupling. At intermediate Hubbard $U$ and spin-orbit ${\lambda}$ couplings, we found an excitonic condensate at the unexpected momentum $q={\pi}/2$ involving ${j}_{\mathrm{eff}}=3/2,m=\pm{}1/2$, and ${j}_{\mathrm{eff}}=1/2,m=\pm{}1/2$ bands in the triplet channel, coexisting with an also unexpected block magnetic order. We also present the entire ${\lambda}$ vs $U$ phase diagram, at a fixed and robust Hund coupling. Interestingly, this new “block excitonic phase” is present even at large values of ${\lambda}$, unlike the $n=4$ excitonic phase discussed before. Our computational study helps to understand and predict the possible magnetic phases of materials with ${d}^{3.5}$ valence and robust spin-orbit coupling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Abiotic Reductive Removal and Subsequent Incorporation of Tc(IV) into Iron Oxides: A Review

The comparative review of the selected range of studies describing abiotic Tc(VII) reduction with iron oxides and oxyhydroxides, such as magnetite, hematite, goethite, and ferrihydrite, revealed co-existence of several processes upon reduction of pertechnetate anion (Tc(VII)O4-) that can be detected simultaneously: polymerization of Tc(IV) into chains of Tc(IV) oxide that might create clusters and precipitate on the surface of iron mineral as TcO2 mono or dimer complexes; surface sorption of Tc—Tc dimers; and incorporation of Tc(IV) into lattice structure of iron oxides, i.e. predominantly magnetite. The mechanism for mononuclear incorporation of Tc(IV) into magnetite is discussed, and it is demonstrated that Tc(IV) substitution of Fe(II) with consequent loss of Fe(II) for the charge mismatch is more evident, despite commonly accepted assumption of Tc(IV) for Fe(III) substitution due to similarity in atomic radii. Oxidation of Fe(II) and creation of cavity during Fe(II) loss is described by the natural process of maghematization (transfer of magnetite to its fully oxidized state, maghemite), and Tc(IV) incorporation during this process is more energetically favorable, as it was supported before through computational studies. Clarification of the Tc local environment in iron minerals via EXAFS data analysis does not produce a definitive answer, as the local environment in different iron oxides and hydroxides is very similar and may not be taken alone for the conclusive statements.

Boglaienko, Daria↗
DOE OSTI2016

Synchrotron Microdiffraction Study of Heavy-Ion-Irradiated Uranium-Molybdenum Dispersion Fuel

There has been an ongoing effort by the Department of Energy Office of Material Management and Minimization to convert research and test reactors from high-enriched to low-enriched uranium fuels. Uranium-molybdenum alloy fuel dispersed in an aluminum matrix (UMo-Al dispersion fuel) has emerged as the leading candidate fuel for converting the remaining high-power research reactors in Europe. One of the primary barriers to using this fuel type is the deleterious reaction of UMo with Al. Depending on the operating temperature of the reactor, this interaction layer can be amorphous under irradiation and allows for the accumulation of fission gas products in large bubbles, leading to unacceptable swelling of the fuel. Therefore, detailed characterization of the phases that form within the fuel and in the interaction layer is critical to understanding, and controlling, UMo-Al dispersion fuel behavior under irradiation. Furthermore, the phase stability of the UMo fuel is of great importance, as the alpha-UMo phase has undesirable swelling compared to the metastable gamma-UMo phase. Heavy ion irradiation was used to reproduce the interaction layer that develops in-reactor. Samples of both the fuel and interaction layer formed under ion irradiation were examined using the high-energy x-ray microdiffraction technique at the Advanced Photon Source (APS) at Argonne National Laboratory to examine the microstructure of the interaction layer. The high-resolution phase information obtained in this experiment provides a valuable basis for understanding the evolution of UMo-Al dispersion fuel under irradiation and as input for computational studies to improve predictive capabilities. Phase information for in-pile fuels can currently be determined from TEM samples (limited sample volume, limiting statistics), or by extrapolation from SEMEDS analysis. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Nuclear Fuel and Pu Redox Studies from The Glenn T. Seaborg Institute at Idaho National Laboratory

The Glenn T. Seaborg Institute at Idaho National Laboratory (INL-GTSI) focuses on advancing fundamental research in the actinide sciences by providing unique opportunities to early career scientists and engineers to gain experience studying the actinide elements and their associated systems. The INL-GTSI is built from three focus areas that are based on the expertise and supporting infrastructure at INL and include solid state chemistry and physics, solution phase chemistry and physics, and forensic and isotope science. INL is the lead Laboratory for nuclear energy research and development in the U. S. and the research on nuclear fuels performed under the INL-GTSI gives good examples of solid state studies. Uranium-Molybdenum (U-Mo) alloys are leading fuel candidates for conversion of high performance research and test reactors to low-enriched fuels. During irradiation, generated fission gas accumulates into bubbles and self-organizes into a gas bubble superlattice (GBS) that effectively stores fission gases and inhibits fuel swelling. A study on the early self- organizing behavior of the GBS shows that not only grain boundaries but the interfaces between the U-Mo matrix and uranium carbide (UC) impurities are important to GBS formation.[1] In solution, understanding the complex redox behavior of plutonium in aqueous environments is critical for establishing optimized nuclear waste reprocessing solvent systems and storage tank environments. INL-GTSI researchers have produced an experimentally validated multi-scale model of the gamma radiation induced behavior of plutonium ions in concentrated aqueous HNO3 solutions.[2] Here, gamma radiation effected only minimal steady state changes in the redox distribution of the plutonium oxidation states. The redox cycling between Pu(IV) and Pu(III) is demonstrated to be mediated by the •OH/NO3• radical oxidation of Pu(III) and the H2O2/HNO3 driven reduction of Pu(IV). The INL-GTSI offers young researchers the unique chance to work directly with actinide bearing materials in a U. S. National Laboratory environment. Further topical areas of interest to the INL-GTSI include, but are not limited to, fundamental actinide properties, structure/property (electronic, magnetic, thermal) relations, actinide quantum criticality, f- electron interactions, electron correlations, computational studies, new phases, defect effects, interface interactions, isotope production and separation, forensic analytical chemistry, structure and dynamic properties of actinides in non-aqueous media, separations chemistry and kinetics for advanced nuclear fuel cycles, radiation effects, and innovative and advanced ligand design for complexation of the actinides.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2016

Direct Numerical Simulation of an Airfoil with Sand Grain Roughness on the Leading Edge

As part of a computational study of acoustic radiation due to the passage of turbulent boundary layer eddies over the trailing edge of an airfoil, the Lattice-Boltzmann method is used to perform direct numerical simulations of compressible, low Mach number flow past an NACA 0012 airfoil at zero degrees angle of attack. The chord Reynolds number of approximately 0.657 million models one of the test conditions from a previous experiment by Brooks, Pope, and Marcolini at NASA Langley Research Center. A unique feature of these simulations involves direct modeling of the sand grain roughness on the leading edge, which was used in the abovementioned experiment to trip the boundary layer to fully turbulent flow. This report documents the findings of preliminary, proof-of-concept simulations based on a narrow spanwise domain and a limited time interval. The inclusion of fully-resolved leading edge roughness in this simulation leads to significantly earlier transition than that in the absence of any roughness. The simulation data is used in conjunction with both the Ffowcs Williams-Hawkings acoustic analogy and a semi-analytical model by Roger and Moreau to predict the farfield noise. The encouraging agreement between the computed noise spectrum and that measured in the experiment indicates the potential payoff from a full-fledged numerical investigation based on the current approach. Analysis of the computed data is used to identify the required improvements to the preliminary simulations described herein.

Ribeiro, Andre F. P.↗
DOE OSTI2017

Exploration of Turbulent Atomization Mechanisms for Diesel Spray Simulations

The atomization and initial spray formation processes in direct injection engines are not well understood due to the experimental and computational challenges associated with resolving these processes. Although different physical mechanisms, such as aerodynamic-induced instabilities and nozzle-generated turbulence and cavitation, have been proposed in the literature to describe these processes, direct validation of the theoretical basis of these models under engine-relevant conditions has not been possible to date. Recent developments in droplet sizing measurement techniques offer a new opportunity to evaluate droplet size distributions formed in the central and peripheral regions of the spray. There is therefore a need to understand how these measurements might be utilized to validate unobservable physics in the near nozzle-region. To address this need, we conduct a computational study using 3D CFD simulations in CONVERGE to explore the relationship between the selected primary atomization model and droplet sizes formed in the central and peripheral regions of the spray. Two existing primary atomization models from the literature are studied to characterize the influence of competing aerodynamics and turbulence mechanisms on the spray formation process. We develop and implement a new hybrid primary atomization model to evaluate the influence of the assumed turbulent scaling on the predicted spray structure. Local sensitivity analysis is performed over a wide range of ambient densities, injection pressures and nozzle diameters to compare the response of predicted droplet sizes in different regions of the spray to changes in injection and ambient conditions. Comparison of the predicted spray structure among the three spray models and against available measurements helps identify a set of experimental conditions and measurements that are needed to inform the development of improved atomization and spray breakup models.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRSDate not supplied

Aerothermodynamic Measurements in Hypersonic Non-Equilibrium Flows

High enthalpy arc-jets are unique facilities particularly suited for simulating complex flows in the aerospace field, such as the aerothermodynamics of a re-entry vehicle. Arc-jets are often used to evaluate important design factors such as heat shield materials and vehicle design. Characterization of these facilities is important, as studies often match specific in-flight environments during experiments. Due to the complex environment produced by an arc-jet, with effects such as thermodynamic and chemical non-equilibrium occurring in the flow, characterization experiments are significantly more difficult than in traditional blow-down wind tunnels. The current work aims to characterize an arc-jet facility in terms of flow temperature, velocity and unsteadiness, in a spatially-resolved analysis. To achieve this goal, a non-intrusive imaging technique called “planar laser-induced fluorescence” was performed in the NASA Langley Hypersonic Materials Environ-mental Test System arc-jet facility. The experimental data was analyzed to produce the quantitative measurements in multiple regions of the flow around a blunt body sample. A quasi-1D low fidelity solver was created to numerically simulate the flow to investigate non-equilibrium effects occur-ring outside the imaging region in the arc-jet nozzle. Unsteadiness in the test section was minimized by analyzing a subset of data assessing the gas injection location. Radial velocity, rotational temperature and translational temperature measurements are provided that can be used to validate future high-fidelity computational studies. The temperature measurements revealed rotational non-equilibrium potentially occurring in the flow. This work provides a methodology for characterizing arc-jet facilities, identifying and correcting sources of systematic error, and estimating the uncertainty associated with the quantitative measurements.

laser induced fluorescence↗
DOE OSTI2025

Reticular Materials and AI-Driven Computer Simulations for Seawater Mining of Valuable Metals (Final Technical Report)

This Final Technical Report describes our exploratory efforts that combine reticular materials synthesis (hydrolytically robust metal–organic frameworks, MOFs) with AI‑enabled molecular simulations to develop mechanistic, quantitative design rules for recovering lithium and other alkali-metal ions from highly dilute, competitive aqueous resources (e.g., seawater). The central outcome is a joint experimental–computational study of ion uptake in MOF‑808 (Chemical Science, 2025) that quantifies both thermodynamics and kinetics of Li + , Na + , and K + uptake and identifies how pore size, pore hydration state, dehydration penalties, and pore-window transport barriers govern selectivity. Guided by these insights, we synthesized and tested functionalized MOF‑808 and multivariate MOFs incorporating ion-recognition motifs (including carboxylates and crown-ether linkers) and evaluated uptake in synthetic seawater, highlighting framework topology and pore chemistry as levers for improved Li + /Na + discrimination. We also developed transferable simulation models, enhanced-sampling protocols, and automated workflows that enable systematic screening of porous sorbents.

42 ENGINEERING↗
DOE OSTI2021

Enhanced resistance to decay of imprinted nanopatterns in thin films by bare nanoparticles compared to polymer-grafted nanoparticles

We extend a previous study on the influence of nanoparticles on the decay of nanoimprinted polymer film patterns to compare the effects of “bare” silica (SiO 2 ) nanoparticles and SiO 2 nanoparticles with grafted polymer layers having the same chemical composition as the polymer matrix. This method involves nanoimprinting substrate-supported polymer films using a pattern replicated from a digital versatile disc (DVD), and then annealing the patterned polymer nanocomposite films at elevated temperatures to follow the decay of the topographic surface pattern with time by atomic force microscopy imaging after quenching. We quantified the relaxation of the pattern height (“slumping”) and determined the relaxation time τ for this pattern decay process as a function of nanoparticle filler type and concentration to determine how nanoparticle additives influence relative film stability. Attractive interactions between the bare nanoparticles and the polymer matrix significantly enhance the thermal resilience of the nanopatterns to decay, compared to those of the particle brushes, wherein the particle core interactions are screened from the matrix via the brush layer. A novel aspect of this method is that it readily lends itself to in situ film relaxation measurements in a manufacturing context. We observe that the relaxation time of the pattern relaxation exhibits entropy–enthalpy compensation in the free energy parameters governing the pattern relaxation process as a function of temperature, irrespective of the NP system used, consistent with our previous experimental and computational studies.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Neural correlates of sparse coding and dimensionality reduction

Supported by recent computational studies, there is increasing evidence that a wide range of neuronal responses can be understood as an emergent property of nonnegative sparse coding (NSC), an efficient population coding scheme based on dimensionality reduction and sparsity constraints. We review evidence that NSC might be employed by sensory areas to efficiently encode external stimulus spaces, by some associative areas to conjunctively represent multiple behaviorally relevant variables, and possibly by the basal ganglia to coordinate movement. In addition, NSC might provide a useful theoretical framework under which to understand the often complex and nonintuitive response properties of neurons in other brain areas. Although NSC might not apply to all brain areas (for example, motor or executive function areas) the success of NSC-based models, especially in sensory areas, warrants further investigation for neural correlates in other regions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Characterization of NiFe oxyhydroxide electrocatalysts by integrated electronic structure calculations and spectroelectrochemistry

NiFe oxyhydroxide materials are highly active electrocatalysts for the oxygen evolution reaction (OER), an important process for carbon-neutral energy storage. Recent spectroscopic and computational studies increasingly support iron as the site of catalytic activity but differ with respect to the relevant iron redox state. A combination of hybrid periodic density functional theory calculations and spectroelectrochemical experiments elucidate the electronic structure and redox thermodynamics of Ni-only and mixed NiFe oxyhydroxide thin-film electrocatalysts. The UV/visible light absorbance of the Ni-only catalyst depends on the applied potential as metal ions in the film are oxidized before the onset of OER activity. In contrast, absorbance changes are negligible in a 25% Fe-doped catalyst up to the onset of OER activity. First-principles calculations of proton-coupled redox potentials and magnetizations reveal that the Ni-only system features oxidation of Ni2+ to Ni3+, followed by oxidation to a mixed Ni3+/4+ state at a potential coincident with the onset of OER activity. Calculations on the 25% Fedoped system show the catalyst is redox inert before the onset of catalysis, which coincides with the formation of Fe4+ and mixed Ni oxidation states. The calculations indicate that introduction of Fe dopants changes the character of the conduction band minimum from Ni-oxide in the Ni-only to predominantly Fe-oxide in the NiFe electrocatalyst. These findings provide a unified experimental and theoretical description of the electrochemical and optical properties of Ni and NiFe oxyhydroxide electrocatalysts and serve as an important benchmark for computational characterization of mixedmetal oxidation states in heterogeneous catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2017

Off-Design Performance of a Streamline-Traced, External-Compression Supersonic Inlet

A computational study was performed to explore the aerodynamic performance of a streamline-traced, external-compression inlet designed for Mach 1.664 at off-design conditions of freestream Mach number, angle-of-attack, and angle-of-sideslip. Serious degradation of the inlet performance occurred for negative angles-of-attack and angles-of-sideslip greater than 3 degrees. At low subsonic speeds, the swept leading edges of the inlet created a pair of vortices that propagated to the engine face. Increasing the bluntness of the cowl lip showed no real improvement in the inlet performance at the low speeds, but did improve the inlet performance at the design conditions. Reducing the inlet flow rate improved the inlet performance, but at the likely expense of reduced thrust of the propulsion system. Deforming the cowl lip for low-speed operation of the inlet increased the inlet capture area and improved the inlet performance.

distortion↗
DOE OSTI2017

Molecular mechanics of Staphylococcus aureus adhesin, CNA, and the inhibition of bacterial adhesion by stretching collagen

Bacterial adhesion to collagen, the most abundant protein in humans, is a critical step in the initiation and persistence of numerous bacterial infections. In this study, we explore the collagen binding mechanism of the multi-modular cell wall anchored collagen adhesin (CNA) in Staphylococcus aureus and examine how applied mechanical forces can modulate adhesion ability. The common structural-functional elements and domain organization of CNA are present across over 50 genera of bacteria. Through the use of molecular dynamics models and normal mode analysis, we shed light on the CNA’s structural and conformational dynamics and its interactions with collagen that lead to collagen binding. Our results suggest that the linker region, CNA 165-173 , acts as a hinge exhibiting bending, extensional, and torsional modes of structural flexibility and its residues are key in the interaction of the CNA-collagen complex. Steered molecular dynamics simulations were conducted with umbrella sampling. During the course of these simulations, the ‘locking’ latch from the CNA N2 domain was dissociated from its groove in the CNA N1 domain, implying the importance of the latch for effective ligand binding. Finally, we observed that the binding efficiency of the CNA N1-N2 domains to collagen decreases greatly with increasing tensile force application to the collagen peptides. Thus, CNA and similar adhesins might preferentially bind to sites in which collagen fibers are cleaved, such as in wounded, injured, or inflamed tissues, or in which the collagenous tissue is less mature. As alternative techniques for control of bacterial infection are in-demand due to the rise of bacterial antibiotic resistance, results from our computational studies with respect to the mechanoregulation of the collagen binding site may inspire new therapeutics and engineering solutions by mechanically preventing colonization and/or further pathogenesis.

Science & Technology - Other Topics↗
DOE OSTI2024

Streaming Matching and Edge Cover in Practice

Graph algorithms with polynomial space and time requirements often become infeasible for massive graphs with billions of edges or more. State-of-the-art approaches therefore employ approximate serial, parallel, and distributed algorithms to tackle these challenges. However, such approaches require storing the entire graph in memory and thus need access to costly computing resources such as clusters and supercomputers. In this paper, we present practical streaming approaches for solving massive graph problems using limited memory for two prototypical graph problems: maximum weighted matching and minimum weighted edge cover. For matching, we conduct a thorough computational study on two of the semi-streaming algorithms including a recent breakthrough result that achieves a $1/(2+\varepsilon)$-approximation of the weight while using $O( n \log W /\epsilon)$ memory (here $n$ is the number of vertices and $W$ is the maximum edge weight), designed by Paz and Schwartzman [SODA, 2017]. Empirically, we show that the semi-streaming algorithms produce matchings whose weight is close to the best $1/2$-approximate offline algorithm while requiring less time and an order-of-magnitude less memory. For minimum weighted edge cover, we develop three novel semi-streaming algorithms. Two of these algorithms require a single pass through the input graph, require $O(n \log n)$ memory, and provide a 2-approximation guarantee on the objective. We also leverage a relationship between approximate maximum weighted matching and approximate minimum weighted edge cover to develop a two-pass $3/2+\epsilon$-approximate algorithm with the memory requirement of Paz and Schwartzman's semi-streaming matching algorithm. These streaming approaches are compared against the state-of-the-art 3/2-approximate offline algorithm. The semi-streaming matching and the novel edge cover algorithms proposed in this paper can process graphs with several billions of edges in under 30 minutes using 6 GB of memory, which is at least an order of magnitude improvement from the offline (non-streaming) algorithms. For the largest graph, the best alternative offline parallel approximation algorithm (GPA+ROMA) could not finish in three hours even while employing hundreds of processors and 1 TB of memory. We also demonstrate an application of the semi-streaming algorithm by computing a matching using linearly bounded memory on item intersection graphs derived from three machine learning datasets, whereas the existing offline algorithms could not complete on one of these datasets since their memory requirements exceeded 1TB.

Ferdous, S M.↗
DOE OSTI2015

Effect of azimuthal flow fluctuations on flow and flame dynamics of axisymmetric swirling flames

We report recent studies have clearly shown the important role of swirl fluctuations (or, more precisely, fluctuations in axial vorticity) in the response of premixed flames to flow oscillations. An important implication of this mechanism is that the axial location of the swirler plays a key role in the phase between the acoustic flow excitation source and the resulting axial vorticity fluctuation at the flame. Similar to the previously well recognized role of azimuthal vorticity fluctuations, these swirl fluctuations are vortical and convect at the mean flow velocity, unlike the acoustic flow fluctuations. However, there is a fundamental difference between axial and azimuthal vorticity disturbances in terms of the flow oscillations they induce on the flame. Specifically, azimuthal vorticity disturbances excite radial and axial flow disturbances, while axial vorticity oscillations, in general induce both radial and azimuthal flow fluctuations, but in the axisymmetric case, they only directly excite azimuthal flow fluctuations. The axial vorticity fluctuations do, however, indirectly excite axial and radial velocity fluctuations when the axial vortex tube is tilted off-axis, such as at locations of area expansion. This difference is significant because axisymmetric flames are disturbed only by the velocity component normal to it, which stem from axial and radial velocity components only. This implies that axisymmetric mean flames are not directly affected by azimuthal flow fluctuations, since they are tangential to it. Thus, it is the extent to which the axial vorticity is tilted and rotated that controls the strength of the flow oscillations normal to the flame and, in turn, lead to heat release oscillations. This coupling process is not easily amenable to analytical calculations and, as such, we report here a computational study of the role of these different flow fluctuations on the flame response in an axisymmetric framework. In conclusion, the results indicate that the swirl fluctuations can act as significant source of flame heat release disturbances, due to azimuthal and radial vortex tubes tilting in mixing passage boundary layers and at the expansion into the combustor.

42 ENGINEERING↗