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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Extending the Publish/Subscribe Abstraction for High-Performance I/O and Data Management at Extreme Scale

The Adaptable I/O System (ADIOS) represents the culmination of substantial investment in Scientific Data Management, and it has demonstrated success for several important extreme-scale science cases. However, looking towards the exascale and beyond, we see the development of yet more stringent data management requirements that require new abstractions. Therefore, there is an opportunity to attempt to connect the traditional realms of HPC I/O optimization with the Database / Data Management community. As such, in this paper we offer some specific examples from our ongoing work in managing data structures, services, and performance at the extreme scale for scientific computing. Using the publish/subscribe model afforded by ADIOS, we demonstrate a set of services that connect data format, metadata, queries, data reduction, and high-performance delivery. The resulting publish/subscribe framework facilitates connection to on-line workflow systems to enable the dynamic capabilities that will be required for exascale science.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
NASA NTRS1972

Response of a shroud-enclosed spacecraft to combined acoustic-vacuum environments

Tests were conducted in the launch phase simulator test facility, with the Orbiting Geophysical Observatory structural model and the Nimbus-type shroud being used as test items. Data are given for the acoustic vibratory response of the spacecraft as the ambient pressure external to the shroud was reduced. The results show that at most spacecraft locations, the reduction in ambient pressure causes a significant reduction in the vibration response. There are, however, certain locations on the spacecraft and spacecraft adapter trusses where the reduction in ambient pressure has no effect. The differences in vibration responses obtained in this test can be directly related to two important factors: (1) excitation path - the path through which the external acoustic energy flows (either the mechanical path through structural members, or the air path directly from shroud to spacecraft); and (2) noise reduction of the shroud as a function of ambient pressure. As the pressure external to the shroud is reduced, the vented shroud has a corresponding decrease in internal pressure. The change in internal air density means less energy will be transmitted via the air path.

Bruck, L. R.↗
NASA NTRS1975

Strain gaged struts and data reduction techniques to maximize quality data from spacecraft flight measurements

The flight instrumentation for the Viking project was established to obtain environmental data, and maximize the data obtainable from the limited number of telemetry channels. To achieve these objectives, a set of six struts were strain gaged and calibrated as load cells to obtain a complete force-time history across an interface. The force-time history can be used with an analytical model to calculate the response of any part of the structure above the instrumented interface. Special matched filters were required to reduce the flight data and derive the phase correlated loads. Flight data results from the Viking Dynamic Simulator flown in February 1974 are described in addition to ground test results used to verify the data reduction process.

Day, F. D., III↗
DOE OSTI2022

Fuel Properties of Oxymethylene Ethers with Terminating Groups from Methyl to Butyl

Oxymethylene ethers (OMEs) have been studied as possible additives or replacements for diesel fuels. Typically, studies have considered only methyl-terminated OMEs. Recent structure-property relationship models suggest that extended-alkyl OMEs may provide improvements to many of the properties of methyl-terminated OMEs that make them less suitable as diesel fuel blendstocks. In this work, we describe the synthesis and characterization of 16 different OMEs with methyl, ethyl, propyl, butyl, isopropyl, and isobutyl terminating alkyl groups with varying oxymethylene chain length. Indicated Cetane Number, Lower Heating Value, Flash Point, Density, Viscosity, Vapor Pressure, and Oxidative Stability are tested via ASTM standard methods. Additionally, Water Solubility, Boiling Point, seal material compatibility, and sooting propensity (via the Yield Sooting Index) are measured for these fuels. For diesel compatibility, all tested OMEs except smaller methyl and ethyl OMEs, and the branched isopropyl OME, meet cetane number requirements. Further, extending the alkyl end group increases the heating value, but all OMEs, due to their oxygen content, have heating values less than diesel; despite this, all OMEs show significant reductions in soot production per unit heating value. Only the heaviest OMEs meet diesel viscosity requirements, and most are higher density than diesel. OMEs with larger alkyl groups show the highest stability under accelerated auto-oxidation conditions. Increases in alkyl group length cause order of magnitude reduction in water solubility, from hundreds of g/L for methyl terminated OMEs to hundreds of mg/L for butyl terminated OMEs. Limited seal material testing indicates that PEEK polymers are unaffected by OMEs; while extended alkyl groups may improve compatibility with FKM (Viton), other common elastomers (NBR, silicone) remain incompatible with all tested OMEs. Overall, it is found that methyl-terminated OMEs exhibit the most potential for soot reduction, but OMEs with larger propyl and butyl terminating alkyl groups show improved compatibility with existing diesel systems.

09 BIOMASS FUELS↗
NASA NTRS2006

A High-Authority/Low-Authority Control Strategy for Coupled Aircraft-Style Bays

This paper presents a numerical investigation of an active structural acoustic control strategy for coupled aircraft-style bays. While structural coupling can destabilize or limit the performance of some model-based decentralized control systems, fullycoupled centralized control strategies are impractical for typical aircraft containing several hundred bays. An alternative is to use classical rate feedback with matched, collocated transducer pairs to achieve active damping. Unfortunately, due to the conservative nature of this strategy, stability is guaranteed at the expense of achievable noise reduction. Therefore, this paper describes the development of a combined control strategy using robust active damping in addition to a high-authority controller based on linear quadratic Gaussian (LQG) theory. The combined control system is evaluated on a tensioned, two-bay model using piezoceramic actuators and ideal point velocity sensors. Transducer placement on the two-bay structure is discussed, and the advantages of a combined control strategy are presented.

Schiller, N. H.↗
NASA NTRS1977

Compliant wall surface motion and its effect on the structure of a turbulent boundary layer

The status of the continuing compliant wall drag reduction research at NASA-Langley Research Center is discussed. Preliminary surface motion calculations are reported along with compliant surface design concepts and their numerical models. A compliant drag reduction theory based on stabilizing the turbulent substructure is proposed and previous experiments have been examined relative to that theory. Results of recent low speed compliant surface experiments have been reported which include initial attempts to measure local compliant surface motion.

Ash, R. L.↗
NASA NTRS1981

Pursuit tracking and higher levels of skill development in the human pilot

A model of the human pilot is offered for pursuit tracking tasks; the model encompasses an existing model for compensatory tracking. The central hypothesis in the development of this model states that those primary structural elements in the compensatory model responsible for the pilot's equalization capabilities remain intact in the pursuit model. In this latter case, effective low-frequency inversion of the controlled-element dynamics occurs by feeding-forward derived input rate through the equalization dynamics, with low-frequency phase droop minimized. The sharp reduction in low-frequency phase lag beyond that associated with the disappearance of phase droop is seen to accompany relatively low-gain feedback of vehicle output. The results of some recent motion cue research are discussed and interpreted in terms of the compensatory-pursuit display dichotomy. Tracking with input preview is discussed in a qualitative way. In terms of the model, preview is shown to demand no fundamental changes in structure or equalization and to allow the pilot to eliminate the effective time delays that accrue in the inversion of the controlled-element dynamics. Precognitive behavior is discussed, and a model that encompasses all the levels of skill development outlined in the successive organizations of perception theory is finally proposed.

Hess, R. A.↗
DOE OSTI2018

Pore structure refinement of cement paste incorporating nanosilica: Study with dual beam scanning electron microscopy/focused ion beam (SEM/FIB)

Highlights: • The modifying effects of nanosilica on pore structure of cement-based composites are investigated. • Dual beam SEM/FIB is implemented to create the 3D pore structure model and calculate porosity and pore size distribution. • The porosity and pore diameter are found to decrease with the inclusion of nanosilica. - Abstract: Pozzolanic materials, micro- and nano-, have been found to improve the durability properties of cement-based materials by refining their pore structure. As a relatively newer material, the modifying effects of nanosilica on pore structure are still inconclusive in the literature. In this study, this was characterized by implementing dual beam SEM/FIB, which can generate 3D models of porous materials for quantitative analysis. The sample is milled by focused ion beam layer-by-layer, and each surface layer is 2D imaged via scanning electron microscopy. Three types of pores – large capillary pore, medium capillary pore and gel pore – can be observed. A 3D pore structure model is then reconstructed from 1000 of these 2D images, from which porosity and pore size distribution can be calculated. Cement pastes incorporating nanosilica and silica fume were compared. The porosity and pore diameter were found to decrease with the inclusion of nanosilica. Furthermore, reduction in capillary pores and subsequent increase in gel pores were also observed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Theoretical Investigation of the Adsorbate and Potential–Induced Stability of Cu Facets During Electrochemical CO 2 and CO Reduction

The activity and product selectivity of electrocatalysts for reactions like the carbon dioxide reduction reaction (CO 2 RR) are intimately dependent on the catalyst's structure and composition. While engineering catalytic surfaces can improve performance, discovering the key sets of rational design principles remains challenging due to limitations in modeling catalyst stability under operating conditions. Herein, we perform first-principles density functional calculations adopting implicit solvation methods with potential control to study the influence of adsorbates and applied potential on the stability of different facets of model Cu electrocatalysts. Using coverage dependencies extracted from microkinetic models, we describe an approach for calculating potential and adsorbate-dependent contributions to surface energies under reaction conditions, where Wulff constructions are used to understand the morphological evolution of Cu electrocatalysts under CO 2 RR conditions. Here we identify that CO*, a key reaction intermediate, exhibits higher kinetically and thermodynamically accessible coverages on (100) relative to (111) facets, which can translate into an increased relative stabilization of the (100) facet during CO 2 RR. Our results support the known tendency for increased (111) faceting of Cu nanoparticles under more reducing conditions and that the relative increase in (100) faceting observed under CO 2 RR conditions is likely attributed to differences in CO* coverage between these facets.

30 DIRECT ENERGY CONVERSION↗
NASA NTRS1999

Control Design Strategies to Enhance Long-Term Aircraft Structural Integrity

Over the operational lifetime of both military and civil aircraft, structural components are exposed to hundreds of thousands of low-stress repetitive load cycles and less frequent but higher-stress transient loads originating from maneuvering flight and atmospheric gusts. Micro-material imperfections in the structure, such as cracks and debonded laminates, expand and grow in this environment, reducing the structural integrity and shortening the life of the airframe. Extreme costs associated with refurbishment of critical load-bearing structural components in a large fleet, or altogether reinventoring the fleet with newer models, indicate alternative solutions for life extension of the airframe structure are highly desirable. Increased levels of operational safety and reliability are also important factors influencing the desirability of such solutions. One area having significant potential for impacting crack growth/fatigue damage reduction and structural life extension is flight control. To modify the airframe response dynamics arising from command inputs and gust disturbances, feedback loops are routinely applied to vehicles. A dexterous flight control system architecture senses key vehicle motions and generates critical forces/moments at multiple points distributed throughout the airframe to elicit the desired motion characteristics. In principle, these same control loops can be utilized to influence the level of exposure to harmful loads during flight on structural components. Project objectives are to investigate and/or assess the leverage control has on reducing fatigue damage and enhancing long-term structural integrity, without degrading attitude control and trajectory guidance performance levels. In particular, efforts have focused on the effects inner loop control parameters and architectures have on fatigue damage rate. To complete this research, an actively controlled flexible aircraft model and a new state space modeling procedure for crack growth have been utilized. Analysis of the analytical state space model for crack growth revealed the critical mathematical factors, and hence the physical mechanism they represent, that influenced high rates of airframe crack growth. The crack model was then exercised with simple load inputs to uncover and expose key crack growth behavior. To characterize crack growth behavior, both "short-term" laboratory specimen test type inputs and "long-term" operational flight type inputs were considered. Harmonic loading with a single overload revealed typical exponential crack growth behavior until the overload application, after which time the crack growth was retarded for a period of time depending on the overload strength. An optimum overload strength was identified which leads to maximum retardation of crack growth. Harmonic loading with a repeated overload of varying strength and frequency again revealed an optimum overload trait for maximizing growth retardation. The optimum overload strength ratio lies near the range of 2 to 3 with dependency on frequency. Experimental data was found to correlate well with the analytical predictions.

Newman, Brett A.↗
DOE OSTI2017

H/D exchange mass spectrometry and statistical coupling analysis reveal a role for allostery in a ferredoxin-dependent bifurcating transhydrogenase catalytic cycle

Recent investigations into ferredoxin-dependent transhydrogenases, a class of enzymes responsible for electron transport, have highlighted the biological importance of flavin-based electron bifurcation (FBEB). FBEB generates biomolecules with very low reduction potential by coupling the oxidation of an electron donor with intermediate potential to the reduction of high and low potential molecules. Bifurcating systems can generate biomolecules with very low reduction potentials, such as reduced ferredoxin (Fd), from species such as NADPH. Metabolic systems that use bifurcation are more efficient and confer a competitive advantage for the organisms that harbor them. Structural models are now available for two NADH-dependent ferredoxin-NADP + oxidoreductase (Nfn) complexes. These models, together with spectroscopic studies, have provided considerable insight into the catalytic process of FBEB. However, much about the mechanism and regulation of these multi-subunit proteins remains unclear. Using hydrogen/deuterium exchange mass spectrometry (HDX-MS) and statistical coupling analysis (SCA), we identified in this work specific pathways of communication within the model FBEB system, Nfn from Pyrococus furiosus , under conditions at each step of the catalytic cycle. HDX-MS revealed evidence for allosteric coupling across protein subunits upon nucleotide and ferredoxin binding. SCA uncovered a network of co-evolving residues that can provide connectivity across the complex. Together, the HDX-MS and SCA data show that protein allostery occurs across the ensemble of iron-sulfur cofactors and ligand binding sites using specific pathways that connect domains allowing them to function as dynamically coordinated units.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Identification of the Electronic and Structural Dynamics of Catalytic Centers in Single-Fe-Atom Material

The lack of model single-atom catalysts (SACs) and atomic-resolution operando spectroscopic techniques greatly limits our comprehension of the nature of catalysis. Herein, based on the designed model single-Fe-atom catalysts with well-controlled microenvironments, we have explored the exact structure of catalytic centers and provided insights into a spin-crossover-involved mechanism for oxygen reduction reaction (ORR) using operando Raman, X-ray absorption spectroscopies, and the developed operando 57 Fe Mössbauer spectroscopy. In combination with theoretical studies, the N-FeN 4 C 10 moiety is evidenced as a more active site for ORR. Moreover, the potential-relevant dynamic cycles of both geometric structure and electronic configuration of reactive single-Fe-atom moieties are evidenced via capturing the peroxido (*O 2 -) and hydroxyl (*OH-) intermediates under in situ ORR conditions. Overall, we anticipate that the integration of operando techniques and SACs in this work shall shed some light on the electronic-level insight into the catalytic centers and underlying reaction mechanism.

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

Pore- and micro-structural characterization of a novel structural binder based on iron carbonation

The pore- and micro-structural features of a novel binding material based on the carbonation of waste metallic iron powder are reported in this paper. The binder contains metallic iron powder as the major ingredient, followed by additives containing silica and alumina to facilitate favorable reaction product formation. Compressive strengths sufficient for a majority of concrete applications are attained. The material pore structure is investigated primarily through mercury intrusion porosimetry whereas electron microscopy is used for microstructural characterization. Reduction in the overall porosity and the average pore size with an increase in carbonation duration from 1 day to 4 days is noticed. The pore structure features are used in predictive models for gas and moisture transport (water vapor diffusivity and moisture permeability) through the porous medium which dictates its long-term durability when used in structural applications. Comparisons of the pore structure with those of a Portland cement paste are also provided. The morphology of the reaction products in the iron-based binder, and the distribution of constituent elements in the microstructure are also reported. - Highlights: • Carbonation of iron produces a dense microstructure. • Pore volume in iron carbonate lower, critical size higher than those in OPC pastes • Reaction product contains iron, carbon, silicon, aluminum and calcium. • Power-law for porosity-moisture permeability relationship was established.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Fe and Ni Dopants Facilitating Ammonia Synthesis on Mn 4 N and Mechanistic Insights from First-Principles Methods

Cyclic step-catalysis enables intermittent, atmospheric ammonia production, and can be integrated with sustainable and renewable energy sources. By employing metal (e.g., Mn) nitride, a nitrogen carrier, the rate-limiting N 2 activation step is bypassed. In this work, molecular-level pathways, describing the reduction of Mn 4 N by dissociatively adsorbed hydrogen, were investigated using periodic density functional theory (DFT). The established mechanism confirmed that Fe and Ni doped in the nitride sublayer and top layer can disturb local electronic structures and be exploited to tune the ammonia production activity. The strength of N–M (M = Mn, Fe, Ni) and H–M bonds both determine the overall reduction thermochemistry. DFT-based modeling further showed that the low concentration of Fe or Ni in the Mn 4 N sublayer facilitates N diffusion by lowering the diffusion energy barrier. Also, these heteroatom dopant species, particularly Ni, decrease the reduction endergonicity, thanks to the strong hydrogen binding with the surface Ni dopant. The Brønsted–Evans–Polanyi relationship and linear scaling relationships have been developed to reveal ammonia evolution kinetic and energetic trends for a series of idealized Fe- and Ni-doped Mn 4 N. Finally, deviations from the linear scaling relationship have been observed for certain doped systems, indicating potentially more complex behaviors of metal nitrides and intriguing promises for greater ammonia synthesis materials design opportunities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Adsorption of Mixed Micelles of Polysorbate 80 and Oleic Acid to the Air–Water Interface

The solubilization of long chain amphiphiles with limited solubility into mixed micelles composed of highly soluble surfactants plays a crucial role in modulating the stability and functionality of formulations in pharmaceutical and food systems. Subsequently, the mixed micelles adsorb from solution to the air−water surface, defining the transport mechanism of the insoluble amphiphiles to the interface. We use X-ray reflectivity to measure the composition and provide insight into the structure of these mixed monolayers, and, alongside interfacial tension measurements, we provide an understanding of how the bulk composition determines the surface composition and the dynamics of tension reduction. We use a model system consisting of an insoluble fatty acid, oleic acid (OA), and a soluble micelle-forming surfactant, polysorbate 80 (PS80). PS80 forms spherical micelles, and, above the critical micelle concentration (cmc), OA is readily solubilized inside the micelles. We show that the adsorption of PS80/OA mixed micelles to the air−water interface rapidly reduces the tension and lowers the equilibrium tension in proportion to the OA concentration. X-ray reflectivity data, fit using Parratt-slab models, quantitively demonstrates that the monolayers become enriched with OA, and we show how the OA intercalates into the PS80 monolayers.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Elastic wave suppression through additively manufactured petal lattice metamaterials

Lattice-core sandwich structure metamaterials are lightweight alternatives to monolithic materials that can present better mechanical, thermal, and energy dampening performance. Manufacturing lattice metamaterials to follow curved surfaces can pose a challenge, as the lattices rely on their geometric orientation to the substrate for their mechanical properties. This work rationally designed a lattice structure where the surface is broken up into “petals” connected to the underlying lattice, which localizes the petals’ impact response. This design opens a pathway for implementation of lattice-core sandwich structures onto complex surface geometries. These petal structures were evaluated for their energy absorption efficiency experimentally by utilizing pressure waves generated with nanosecond lasers and computationally via finite element modeling. The lattice structures exhibited a two-orders-of-magnitude decrease in transmitted pressure compared to their constituent steel at equivalent mass. Furthermore, localizing energy absorption into petal structures provided a 44% reduction in peak load compared to a continuous “single-petal” design.

Sarracino, Alex↗
NASA NTRS1991

A multiobjective approach to integrated control, structure and optical design

The underlying mathematical formulation and issues associated with integrated control, structure, and optical design are discussed. Topics addressed include the development of cost functionals, optimization in the vector objective setting, and computational aspects of the optimization problem with special emphasis on model reduction strategies. Results on simple design problems are presented.

Milman, M.↗
NASA NTRS1995

Preliminary large-eddy simulations of flow around a NACA 4412 airfoil using unstructured grids

Large-eddy simulation (LES) has matured to the point where application to complex flows is desirable. The extension to higher Reynolds numbers leads to an impractical number of grid points with existing structured-grid methods. Furthermore, most real world flows are rather difficult to represent geometrically with structured grids. Unstructured-grid methods offer a release from both of these constraints. However, just as it took many years for structured-grid methods to be well understood and reliable tools for LES, unstructured-grid methods must be carefully studied before we can expect them to attain their full potential. In the past two years, important building blocks have been put into place making possible a careful study of LES on unstructured grids. The first building block was an efficient mesh generator which allowed the placement of points according to smooth variation of physical length scales. This variation of length scales is in all three directions independently, which allows a large reduction in points when compared to structured-grid methods, which can only vary length scales in one direction at a time. The second building block was the development of a dynamic model appropriate for unstructured grids. The principle obstacle was the development of an unstructured-grid filtering operator. In the past year, some of the new filters developed by Jansen have been implemented into a highly parallelized finite element code based on the Galerkin/least-squares finite element method. We have chosen the NACA 4412 airfoil at maximum lift as the first simulation for a variety of reasons. First, it is a problem of significant interest since it would be the first LES of an aircraft component. Second, this flow has been the subject of three experimental studies. The third reason for considering this flow is the variety of flow features which provide an important test of the dynamic model. Only the dynamic model can be expected to perform satisfactorily in this variety of situations: from the laminar regions where it must not modify the flow at all to the turbulent boundary layers and wake where it must represent a wide variety of subgrid-scale structures. The flow configuration we have chosen is that of Wadcock (1987) at Reynolds number based on chord Re(sub c) = u(sub infinity)c/v = 1.64 x 10(exp 6), Mach number M = 0.2, and 12 deg angle of attack.

Jansen, Kenneth↗