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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Design of Aspirated Compressor Blades Using Three-dimensional Inverse Method

A three-dimensional viscous inverse method is extended to allow blading design with full interaction between the prescribed pressure-loading distribution and a specified transpiration scheme. Transpiration on blade surfaces and endwalls is implemented as inflow/outflow boundary conditions, and the basic modifications to the method are outlined. This paper focuses on a discussion concerning an application of the method to the design and analysis of a supersonic rotor with aspiration. Results show that an optimum combination of pressure-loading tailoring with surface aspiration can lead to a minimization of the amount of sucked flow required for a net performance improvement at design and off-design operations.

Dang, T. Q.↗
NASA NTRS1989

Modeling of surface roughness effects on glaze ice accretion

The cause and effects of roughness on accreting glaze ice surfaces were studied with microvideo observations. Distinct zones of surface water behavior were observed, including a smooth wet zone in the stagnation region with a uniform water film, a rough zone where surface tension effects caused coalescence of surface water into stationary beads, and a zone where roughness elements grow into horn shapes. In addition, a zone where surface water ran back as rivulets and a dry zone where rime feathers formed were observed. The locations and behaviors of these zones are discussed. A simple multizone modification to the glaze ice accretion model is proposed to include spatial variability in surface roughness. Two test cases using the multizone model showed significant improvements for the prediction of glaze ice shapes.

Hansman, R. John, Jr.↗
NASA NTRS1984

Ensemble formulation of surface fluxes and improvement in evapotranspiration and cloud parameterizations in a GCM

The influence of some modifications to the parameters of the current general circulation model (GCM) is investigated. The aim of the modifications was to eliminate strong occasional bursts of oscillations in planetary boundary layer (PBL) fluxes. Smoothly varying bulk aerodynamic friction and heat transport coefficients were found by ensemble averaging of the PBL fluxes in the current GCM. A comparison was performed of the simulations of the modified model and the unmodified model. The comparison showed that the surface fluxes and cloudiness in the modified model simulations were much more accurate. The planetary albedo in the model was also realistic. Weaknesses persisted in the models positioning of the Inter-tropical convergence zone (ICTZ) and in the temperature estimates for polar regions. A second simulation of the model following reparametrization of the cloud data showed improved results and these are described in detail.

Sud, Y. C.↗
DOE OSTI2020

Hydration and reaction mechanisms on sodium silicate glass surfaces from molecular dynamics simulations with reactive force fields

Recent development of reactive force fields have enabled molecular dynamics simulations of interactions between silicate glasses and water at the atomistic scale. While multicomponent silicate glasses encompass a wide variety of compositions and properties, one common structural feature in these glasses is the combination of the network structure that is made up of silica tetrahedra linked through corner sharing interspersed with network modifiers like alkali and alkaline-earth ions that break up the Si–O–Si linkages by forming nonbridging oxygen. In reactions with water, ion exchange between alkali ions in the glass and proton or hydronium in the solution, as well as hydrolysis reaction of the Si–O–Si linkages and subsequent silanol formation, is observed and well documented. Furthermore, we have used a set of recently developed reactive force field to investigate the reactions between water and the surfaces of silica and sodium silicate glasses of different compositions for reactions up to 8 nanoseconds. Our results indicate sodium leaching into water and diffusion of water molecules up to 25 Å into the glass surface. We examined the structural and compositional changes inside the glass and around the diffused ions and use these to explain the rates of silanol formation at the surface. We also observed proton transport in the glass which has an indirect influence on the silanol formation rates. While the surface of the glass was rough to start with, it undergoes further modification into a hydrated gel-like structure in the glass for up to 5 Å in the higher alkali containing glasses. It was found that the leached sodium ions remain close to the interface and that fragments of silicate network from the surface is capable of dislodging from the bulk glass and enter the aqueous solution. These simulations thus provide insights into the formation and structure of an alteration layers commonly observed in multicomponent silicate glasses corroded in aqueous solutions.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Edge-Enhanced Oxygen Evolution Reactivity at Ultrathin, Au-Supported Fe 2 O 3 Electrocatalysts

Transition metal oxides have gained attention as promising oxygen evolution reaction (OER) electrocatalysts in alkaline electrolytes, but heterogeneities in typical catalyst samples often obscure key structure–property relationships that are essential for developing higher performance materials. Here, we have combined ultrahigh vacuum surface science techniques, electrochemical measurements, and density functional theory (DFT) to quantify structure-dependent OER activity in a series of well-defined electrocatalysts. We describe a direct correlation between the population of Fe edge-site atoms and the OER activity of ultrathin Fe 2 O 3 nanostructures (~0.5 nm apparent height) grown on Au(111) substrates. Hydroxylated Fe atoms residing at edge-sites along the catalyst/support interface were spectroscopically identified as key reaction centers, and these Fe edge-site atoms were estimated to produce OER turnover frequencies approximately 150 times higher than that of Fe atoms on the catalyst surface at an applied potential of 1.8 V vs the reversible hydrogen electrode. Impressively, ultrathin Fe 2 O 3 /Au nanostructures with a high density of catalytically active Fe edge-site atoms outperformed an ultrathin IrOx/Au catalyst at moderate overpotentials. DFT calculations revealed more favorable OER at edge sites along the Fe 2 O 3 /Au interface, with lower predicted overpotentials due to beneficial modification of intermediate binding. Our results demonstrate how a combination of surface science, electrochemistry, and computational modeling can be used to identify key structure–property relationships in a well-defined electrocatalytic system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Modification of Richtmyer–Meshkov instabilities via layered explosive charge design

In this numerical study, we investigate the effects of layered high explosive (HE) charge design on Richtmyer–Meshkov instability (RMI) in metal plates with sinusoidal surface features. The detonation wave from the HE induces a shock in the metal target that subsequently interacts with the surface features; this results in vortex formation and ultimately RMI. Here, we seek to modify RMI by altering the detonation wave characteristics. The modification is investigated in a twofold manner: first, by varying the initial design of the unconfined surface of the target and second, by varying the charge design and composition. Within a limited scope of this design space, a wide variety of behaviors related to RMI growth are observed. Mechanistic actions, including exaggerated front curvature, behind these modifications are proposed. Charge designs, which modify RMI the most for a select target design, are then presented.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2022

Surface stress tensor and junction conditions on a rotating null horizon

The general form of the surface stress tensor of an infinitesimally thin shell located on a rotating null horizon is derived, when different interior and exterior geometries are joined there. Even though the induced metric on the surface must be the same approached from either side, the first derivatives of the metric need not be. Such discontinuities lead to a Dirac δ-distribution in the Einstein tensor localized on the horizon. For a general stationary axisymmetric geometry the surface stress tensor can be expressed in terms of two geometric invariants that characterize the surface, namely the discontinuities [κ] and [J] of the surface gravity κ and angular momentum density J. The Komar energy and angular momentum are given in coordinates adapted to the Killing symmetries, and the surface contributions to each determined in terms of [κ] and [J] . Guided by these, a simple modification of the original Israel junction conditions is verified directly from the Einstein tensor density to give the correct finite result for the surface stress, when the normal n to the surface is allowed to tend continuously to a null vector. The relation to Israel’s original junction conditions, which fail on null surfaces, is given. The modified junction conditions are suitable to the matching of a rotating “black hole” exterior to any interior geometry joined at the Kerr null horizon surface, even when the surface normal is itself discontinuous and the Barrabès-Israel formalism is also inapplicable. This joining on a rotating null horizon is purely of the matter shell type and does not contain a propagating gravitational shock wave.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Support modification by phosphonic acid ligands controls ethylene hydroformylation on single-atom rhodium sites

To investigate the ability of surface-bound ligands to control activity toward ethylene hydroformylation, we modified site-isolated Rh 1 /TiO 2 with a series of substituted benzyl phosphonic acids. We found that modification of the support by phosphonic acids reduced break-in times for hydroformylation by 4× and increased absolute hydroformylation activity by up to 18× compared to unmodified catalyst at 150 °C. All functionalized catalysts improved hydroformylation activity by at least 9× and improved selectivity by between 7× and 60× relative to the unmodified catalyst. Carbon monoxide probe–molecule spectroscopy indicated that the enhancements in activity among modified samples were due to changes in the local environment of the active Rh site. Specifically, the bite angle of adsorbed carbon monoxide, as determined from infrared spectra, correlated with hydroformylation activity. These findings demonstrate that Rh 1 active sites are highly sensitive to modification of the support with organic ligands.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2020

Modification of Caloris ejecta blocks by long-lived mass-wasting: A volatile-driven process?

The Caloris basin is the largest well-preserved impact basin on Mercury. As such, Caloris ejecta afford us an opportunity to study material from Mercury's deep interior with remote sensing. We have made observations of the geomorphology, colour, distribution, and flank slopes of the circum-Caloris knobs. Our observations suggest that these circum-Caloris knobs are modified ejecta blocks from the Caloris impact. High-resolution MESSENGER images show that knobs are conical and relatively uncratered compared with the surrounding plains, which implies the knobs have undergone resurfacing. We have observed material that has sloughed off knobs superposing impact craters that demonstrably postdate the Caloris impact, which requires some knob modification to have been more recent. We have observed hollows, depressions in Mercury's surface generally believed to have been caused by volatile-loss, on and closely associated with several knobs, which indicates that many knobs contain volatile material and that knob modification could extend into Mercury's recent past. Our measurements show that knob flanks typically have slopes of ∼21°, which is steep for a mound of unconsolidated material that was originally emplaced ∼3.8 Ga. The conical shape of knobs, their steep slopes, the dearth of superposed craters on knobs, and knob superposition relationships with other landforms suggest that Caloris ejecta blocks of arbitrary original shape were modified into their present shapes by long-lived mass-wasting. Mass-wasting must have dominated over impact gardening, which would have produced domal morphologies only. We suggest that mass-wasting was probably driven by volatile-loss, in a manner analogous to terrestrial landforms called ‘molards’. If the circum-Caloris knobs are analogous to molards, then they represent a landform and a process hitherto undocumented on Mercury, with implications for the volatile content of the planet's interior. These knobs therefore are prime targets for BepiColombo, which could search for fresh failures and volatile exposures in the knobs.

Mercury; Caloris basin; impact ejecta; volatiles; ↗
NASA NTRS1976

Effect of geometry modifications on effectiveness of slot injection in hypersonic flow

The study presents wind-tunnel measurements of surface static pressures, equilibrium temperatures, and skin friction downstream of tangential slot injection into a thick turbulent hypersonic boundary layer from two modified slot configurations. The data are compared with results obtained for baseline configurations reported by Cary and Hefner (1970, 1972) to determine whether simple modifications to the slot configuration can produce improved cooling effectiveness and skin friction reduction. The baseline slot configurations are simply modified by thickening the slot lip and by elevating the location of the slot exit above the flat plate. Although the results indicate that simple modifications of the baseline slot configurations can enhance the skin friction reductions obtained with tangential slot injection, slot base drag estimates show that neither of the modifications will lessen the impact of the systems penalties for collecting, ducting, and injecting the slot air.

Hefner, J. N.↗
NASA NTRS1990

Investigation of surface water behavior during glaze ice accretion

A series of experimental investigations that focused on isolating the primary factors that control the behavior of unfrozen surface water during glaze ice accretion were conducted. Detailed microvideo observations were made of glaze ice accretions on 2.54 cm diam cylinders in a closed-loop refrigerated wind tunnel. Distinct zones of surface water behavior were observed; a smooth wet zone in the stagnation region with a uniform water film, a rough zone where surface tension effects caused coalescence of surface water into stationary beads, and a zone where surface water ran back as rivulets. The location of the transition from the smooth to the rough zone was found to migrate towards the stagnation point with time. Comparative tests were conducted to study the effect of the substrate thermal and roughness properties on ice accretion. The importance of surface water behavior was evaluated by the addition of a surface tension reducing agent to the icing tunnel water supply, which significantly altered the accreted glaze ice shape. Measurements were made to determine the contact angle behavior of water droplets on ice. A simple multizone modification to current glaze ice accretion models was proposed to include the observed surface roughness behavior.

Hansman, R. John, Jr.↗
DOE OSTI2023

DNA-caged nanoparticles via electrostatic self-assembly

DNA-modified nanoparticles enable DNA sensing and therapeutics in nanomedicine and are also crucial for nanoparticle self-assembly with DNA-based materials. However, methods to conjugate DNA to nanoparticle surfaces are limited, inefficient, and lack control. Inspired by DNA tile nanotechnology, we demonstrate a new approach to nanoparticle modification based on electrostatic attraction between negatively charged DNA tiles and positively charged nanoparticles. This approach does not disrupt nanoparticle surfaces and leverages the programmability of DNA nanotechnology to control DNA presentation. We demonstrated this approach using a variety of nanoparticles, including polymeric micelles, polystyrene beads, gold nanoparticles, and superparamagnetic iron oxide nanoparticles with sizes ranging from 5–20 nm in diameter. DNA cage formation was confirmed through transmission electron microscopy (TEM), neutralization of zeta potential, and a series of fluorescence experiments. DNA cages present “handle” sequences that can be used for reversible target attachment or self-assembly. Handle functionality was verified in solution, at the solid–liquid interface, and inside fixed cells, corresponding to applications in biosensing, DNA microarrays, and erasable immunocytochemistry. Finally, these experiments demonstrate the versatility of the electrostatic DNA caging approach and provide a new pathway to nanoparticle modification with DNA that will empower further applications of these materials in medicine and materials science.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Elimination of MHD current sheets by modifications to the plasma wall in a fixed boundary model

Models of magnetohydrodynamic (MHD) equilibia that for computational convenience assume the existence of a system of nested magnetic flux surfaces tend to exhibit singular current sheets. These sheets are located on resonant flux surfaces that are associated with rational values of the rotational transform. We study the possibility of eliminating these singularities by suitable modifications of the plasma boundary, which we prescribe in a fixed boundary setting. We find that relatively straightforward iterative procedures can be used to eliminate weak current sheets that are generated at resonant flux surfaces by the nonlinear interactions of resonating wall harmonics. These types of procedures may prove useful in the design of fusion devices with configurations that enjoy improved stability and transport properties.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1976

Effect of design factors on surface temperature and wear in disk brakes

The temperatures, friction, wear and contact conditions that occur in high energy disk brakes are studied. Surface and near surface temperatures were monitored at various locations in a caliper disk brake during drag type testing, with friction coefficient and wear rates also being determined. The recorded transient temperature distributions in the friction pads and infrared photographs of the rotor disk surface both showed that contact at the friction surface was not uniform, with contact areas constantly shifting due to nonuniform thermal expansion and wear. The effect of external cooling and of design modifications on friction, wear and temperatures was also investigated. It was found that significant decreases in surface temperature and in wear rate can be achieved without a reduction in friction either by slotting the contacting face of the brake pad or by modifying the design of the pad support to improve pad compliance. Both design changes result in more uniform contact conditions on the friction surface.

Santini, J. J.↗
DOE OSTI2019

Exact Potential Energy Surface for Molecules in Cavities

We find and analyze the exact time-dependent potential energy surface driving the proton motion for a model of cavity-induced suppression of proton-coupled electron transfer. We show how, in contrast to the polaritonic surfaces, its features directly correlate to the proton dynamics and we discuss cavity modifications of its structure responsible for the suppression. Furthermore, the results highlight the interplay between nonadiabatic effects from coupling to photons and coupling to electrons and suggest caution is needed when applying traditional dynamics methods based on polaritonic surfaces.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1977

Crater evolutionary tracks

The technique proposed in the present paper for studying planetary surface processes is based on the measurement of crater rim height, h, depth, d, and diameter, D. The h/d and d/D ratios provide a quantitative description of crater morphology as well as a quantitative method for assessing the relative importance of competing crater modification processes (since h, d, and D change as a crater is degraded by surface processes, and h/d and d/D change with time). Different classes of processes produce distinctive evolutionary tracks on an h/d versus d/D diagram. Tracks for three general classes of crater modification (processes adding material to the crater; processes redistributing the material within the crater vicinity; and processes removing the material from the crater vicinity) are calculated, and h/d and d/D ratios for craters on the earth, moon, and Mars are compared.

Schubert, G.↗
DOE OSTI2026

Pressurized Gas-Driven Elemental Redistribution Enables Ultrastable PtNi Catalysts for Heavy-Duty Vehicles

Gas-driven element redistribution, characterized by the preferential enrichment of one element at the surface relative to the bulk, is frequently observed in multicomponent alloys. Using L1 0 -ordered PtNi as a model system, we reveal that gas pressure plays a critical role in governing adsorption-driven surface composition during annealing in reducing gases: low pressure favors Pt surface segregation, while high pressure facilitates Ni surface enrichment. In this study, we developed a high-pressure nitriding (HPN) strategy that modulates the surface structure and composition of PtNi catalysts. The resulting HPN-PtNi exhibits enhanced performance and durability in membrane electrode assemblies for heavy-duty fuel cell applications, maintaining a high current density of 1.19 A cm −2 at 0.7 V after 90,000 voltage cycles. Through a combination of experimental and theoretical analyses, we reveal that the HPN process forms additional stabilizing Ni−N bonds and induces elemental redistribution with Ni surface enrichment and a Ni-deficient Pt subsurface. These modifications alter the atomic coordination environment of the ordered PtNi phase. This work presents a generalizable strategy to design robust and high-performing Pt-based catalysts by controlling gas-pressure-driven elemental redistribution and dopant incorporation.

30 DIRECT ENERGY CONVERSION↗
NASA NTRS1977

Effect of surface roughness on the microwave brightness temperature of soils

The effect of surface roughness on the brightness temperature of a moist terrain was studied through the modification of Fresnel reflection coefficient and using the radiative transfer equation. Model calculations are in good qualitative agreement with the observed dependence of the brightness temperature on the moisture content in the surface layer.

Choudhury, B. J.↗