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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Molecular Dynamics Simulation of Resin Adsorption at Kaolinite Edge Sites: Effect of Surface Deprotonation on Interfacial Structure

Low-salinity water flooding, a method of enhanced oil recovery, consists of injecting low ionic strength fluids into an oil reservoir in order to detach oil from mineral surfaces in the underlying formation. Although highly successful in practice, the approach is not completely understood at the molecular scale. Molecular dynamics simulations have been used to investigate the effect of surface protonation on the adsorption of an anionic crude oil component on clay mineral edge surfaces. A set of interatomic potentials appropriate for edge simulations has been applied to the kaolinite (010) surface in contact with an aqueous nanopore. Decahydro-2-napthoic acid in its deprotonated form (DHNA – ) was used as a representative resin component of crude oil, with monovalent and divalent counterions, to test the observed trends in low-salinity water flooding experiments. Surface models include fully protonated (neutral) and deprotonated (negative) edge sites, which require implementation of a new deprotonation scheme. The surface adsorptive properties of the kaolinite edge under neutral and deprotonated conditions have been investigated for low and high DHNA – concentrations with Na + and Ca 2+ as counterions. The tendency of DHNA – ions to coordinate with divalent (Ca 2+ ) rather than monovalent (Na + ) ions greatly influences adsorption tendencies of the anion. Additionally, the formation of net positively charged surface sites due to Ca 2+ at deprotonated sites results in increased DHNA – adsorption. Divalent cations such as Ca 2+ are able to efficiently bridge surface sites and organic anions. Replacing those cations with monovalent cations such as Na + diminishes the bridging mechanism, resulting in reduced adsorption of the organic species. As a result, a clear trend of decreased DHNA – adsorption is observed in the simulations as Ca 2+ is replaced by Na + for deprotonated surfaces, as would be expected for oil detachment from reservoir formations following a low-salinity flooding event.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Effects of surface diffusion in electrocatalytic CO 2 reduction on Cu revealed by kinetic Monte Carlo simulations

We report Kinetic Monte Carlo (KMC) methods are frequently used for mechanistic studies of thermally driven heterogeneous catalysis systems but are underused for electrocatalysis. Here, we develop a lattice KMC approach for electrocatalytic CO 2 reduction. The work is motivated by a prior experimental report that performed electroreduction of a mixed feed of 12 CO 2 and 13 CO on Cu; differences in the 13 C content of C2 products ethylene and ethanol (Δ 13 C) were interpreted as evidence of site selectivity. The lattice KMC model considers the effect of surface diffusion on this system. In the limit of infinitely fast diffusion (mean-field approximation), the key intermediates 12 CO* and 13 CO* would be well mixed on the surface and no evidence of site selectivity could have been observed. Using a simple two-site model and adapting a previously reported microkinetic model, we assess the effects of diffusion on the relative isotope fractions in the products using the estimated surface diffusion rate of CO* from literature reports. We find that the size of the active sites and the total surface adsorbate coverage can have a large influence on the values of Δ 13 C that can be observed. Δ 13 C is less sensitive to the CO* diffusion rate as long as it is within the estimated range. We further offer possible methods to estimate surface distribution of intermediates and to predict intrinsic selectivity of active sites based on experimental observations. This work illustrates the importance of considering surface diffusion in the study of electrochemical CO 2 reduction to multi-carbon products. Our approach is entirely based on a freely available open-source code, so will be readily adaptable to other electrocatalytic systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Analysis and Comparison of Surface Roughness Effects on Pressure Data from SLS Wind Tunnel Test

Unsteady flows are becoming a more characterized field of study as advancements in technology is allowing for more high-speed, time-resolved data acquisition. It is important to understand these flows as the shock-wave boundary-layer interactions and separation they are involved with can generate extreme loads caused by high pressure and temperature on the body of a flight vehicle. It is vital to characterize these loads, as they can impede upon the structural integrity of a high-speed system. A common instrument utilized today to characterize pressure distributions caused by unsteady flows are unsteady pressure transducers. Set flush with the surface of a flight vehicle or wind tunnel model, these transducers can provide a pressure distribution, capturing the frequency of unsteady loads that could impinge upon the test article. A couple negative aspects of this instrumentation is that they are expensive, have long lead times, and a pressure distribution can only be determined in one discrete location where the transducer is installed. An optical diagnostic known as unsteady pressure-sensitive paint (uPSP) can help to satisfy these deficiencies. This is a spray paint that can be applied to a surface of a model to provide a global pressure distribution across the whole painted region.2 A complete picture of the fluid dynamic pressures occurring on the surface of a test article can be analyzed, especially in locations where it may have been impossible to install a transducer. Pressure-sensitive paint is also less expensive than traditional pressure transducers, which are, on average, about $2,000 each including the cost of installation.3 Unsteady PSP will not replace unsteady pressure transducers, but the transducers can be used to validate the PSP response to the flow and measure frequencies higher than the frequency response of the paint. One issue that can arise using these tools simultaneously, is that the surface roughness of the uPSP can affect the pressure readings of the transducers. Applying the uPSP to the surface of the model is going to affect the flow in some way as the topography of the model is now different than if it was not painted. One study with steady PSP conducted by Amer, Obara, and Liu at NASA Langley concluded that the PSP surface roughness was minimally intrusive at different test conditions with various lift, drag, etc., however, it was noted that data from some pressure transducers had decreased, likely due to the uneven application of the PSP in the localized region of the transducers.9 Sugioka et. al. tested various formulations of uPSP to study surface roughness effects on a Common Research Model (CRM) in transonic flow. The influence of uPSP on the surface of the model, depending on how it was formulated, was noted to have the possibility of relocating the shock wave present in the flow. This study was conducted to examine and compare transducer data acquired in December 2017 of a 4% scale model of the Space Launch System (SLS) performed at NASA Ames Research Center (ARC) Unitary Plan Wind Tunnel (UPWT). One goal of the test was to demonstrate to the customer the potential of the uPSP system developed at NASA ARC. The effect of uPSP on transducer signals also became an interest in this experiment and is the reason for this data analysis. The results of this study were discussed with the SLS team to help them make decisions regarding the next test on an SLS model with the PSP and Unitary Plan Wind Tunnel teams.

pressure-sensitive paint↗
NASA NTRS1951

Effect of Surface Finish on Fatigue Properties at Elevated Temperatures I : Low-carbon N-155 with Grain Size of A.S.T.M. 1

Effect of three surface finishes of roughness 4 to 5, 20 to 25, and 70 to 80 micro inches rms on fatigue properties were determined for low-carbon N-155 alloy of grain size A.S.T.M. 1 at temperatures of 80 , 1000, 1350, and 1500 F. The fatigue properties for the various finishes differed appreciably at room temperature; however, after short periods at 1000 F and for all periods investigated at temperatures above 1000 F, the specimen finishes had the same fatigue strength. It was concluded that the primary cause of the difference in room-temperature strength was due to compressive stresses set up in the surface and that at elevated temperatures these compressive stresses were relieved by annealing. Apparently, roughness alone did not significantly affect fatigue strength.

Ferguson, Robert R↗
NASA NTRS1973

Effect of surface asperity on elastohydrodynamic lubrication

The important aspects of elastohydrodynamic lubrication, with a single, one-dimensional asperity, have been found by solving numerically the coupled transient Reynolds equation and the elasticity equation. Even though the assumption of a single asperity is highly ideal, this study sheds some light on the effect of surface roughness on elastohydrodynamic lubrication. The results show that the film pressure tends to increase more than the steady state pressure, and in particular, the increase in pressure reaches a maximum as the asperity approaches the inlet of the contact region. The asperity height and the pressure increase above the steady state pressure are closely related to each other; the higher the asperity height, the larger the pressure increase. In the pure rolling case, it has been found that a local pressure peak is not developed. However, in the cases of sliding and rolling, a small, local pressure peak is developed on the pressure profile when the asperity moves into the contact region. In general, the overall film thickness profile increases with increasing asperity height, but is not significantly affected by the asperity width. Moreover, the slope of the overall film thickness profile for the transient cases is much greater than the steady state profile, which is approximately constant across the contact width. The increase in the center film thickness also depends upon the width and height of the asperity.

Lee, K.↗
NASA NTRS1959

Effect of Surface Roughness on Characteristics of Spherical Shock Waves

Measurements of peak overpressure and Mach stem height were made at four burst heights. Data were obtained with instrumentation capable of directly observing the variation of shock wave movement with time. Good similarity of free air shock peak overpressure with larger scale data was found to exist. The net effect of surface roughness on shock peak overpressures slightly. Surface roughness delayed the Mach stem formation at the greatest charge height and lowered the growth at all burst heights. A similarity parameter was found which approximately correlates the triple point path at different burst heights.

Huber, Paul W.↗
DOE OSTI2021

Multiscale Understanding of Surface Structural Effects on High-Temperature Operational Resiliency of Layered Oxide Cathodes

The worldwide energy demand in electric vehicles and the increasing global temperature have called for development of high-energy and long-life lithium-ion batteries (LIBs) with improved high temperature operational resiliency. However, current attention has been mostly focused on cycling aging at elevated temperature, leaving considerable gaps of knowledge in the failure mechanism and practical control of abusive calendar aging and thermal runaway that are highly related to the eventual operational lifetime and safety performance of LIBs. Herein, using a combination of various in situ synchrotron X-ray and electron microscopy techniques, we report a multiscale understanding of surface structure effects involved in regulating the high temperature operational tolerance of polycrystalline Ni-rich layered cathodes. Our results collectively show that an ultraconformal poly (3,4-ethylenedioxythiophene) coating can effectively prevent LiNi 0.8 Co 0.1 Mn 0.1 O 2 cathode from undesired phase transformation and transition metal dissolution on the surface, atomic displacement and dislocations within primary particles, intergranular cracking along the grain boundaries within secondary particles, and intensive bulk oxygen release during high state-of-charge and high temperature aging. As a result, the present work highlights the essential role of surface structure controls in overcoming the multiscale degradation pathways of high-energy battery materials at extreme temperature.

25 ENERGY STORAGE↗
NASA NTRS1984

Vortex-generating coolant-flow-passage design for increased film-cooling effectiveness and surface coverage

The thermal film-cooling footprints observed by infrared imagery for three coolant-passage configurations embedded in adiabatic-test plates are discussed. The configurations included a standard round-hole cross section and two orientations of a vortex-generating flow passage. Both orientations showed up to factors of four increases in both film-cooling effectiveness and surface coverage over that obtained with the round coolant passage. The crossflow data covered a range of tunnel velocities from 15.5 to 45 m/sec with blowing rates from 0.20 to 2.05. A photographic streakline flow visualization technique supported the concept of the counterrotating apability of the flow passage design and gave visual credence to its role in inhibiting flow separation.

Papell, S. S.↗
DOE OSTI2018

Trinal Nature of the Excitation of Bulk Plasmons by a Fast Charged Particle at Grazing Incidence on the Interface between Vacuum and a Metal with Strong Spatial Dispersion

The excitation and propagation of bulk and surface (surface waves of transition radiation of plasmons at frequencies above the plasma frequency) plasma waves by incident electrons moving both in vacuum toward the surface of a metal and inside the metal whose boundary elastically and spectacularly reflects internal nonequilibrium electrons have been analyzed. In contrast to work [B. N. Libenson, J. Exp. Theor. Phys. 113, 553 (2011)], attention in this work is focused on the influence of surface effects on bulk-plasmon excitation by incident electrons. The probabilities and spectra of single characteristic energy loss of an intermediate- energy electron (50–500 eV) moving at an angle to the surface of the medium in three regions: in vacuum, in the medium, and again in vacuum after the electron leaves the medium are calculated. The kinetic approximation is used for the dielectric function, where the entire range of the plasmon spectrum is taken into account correctly for the problem under consideration. In the indicated energy range of incident electrons, surface effects, on the one hand, significantly reduces the probability of excitation of bulk plasma waves in the medium with strong spatial dispersion, in particular, as compared to the results obtained in [B.N. Libenson, J. Exp. Theor. Phys. 113, 553 (2011)], where surface effects were disregarded and the probability of bulkplasmon excitation by a 200-eV electron incident and emitted perpendicularly to the boundary is about one third of that in the unbounded medium. On the other hand, at grazing incidence from vacuum, the probability of transition radiation of bulk plasmons increases significantly and can lead to a change in the character of the angular dependence of the intensity of bulk plasma energy loss. Thus, the main result of this work is that a decrease in the glancing angle of the fast electron with respect to the vacuum–metal interface is accompanied both by an increase in the contribution from the transition mechanism to the probability of bulk-plasmon excitation in the vacuum region and by a decrease in the contribution from Cherenkov and bremsstrahlung mechanisms of excitation in the medium. The probability of bulk-plasmon excitation in the vacuum region exceeds the probability of excitation at the further motion of the electron in metallic aluminum at angles of incidence larger than 65°, 70°, and 75° at the energies E = 200, 350, and 500 eV, respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1980

Studies of H2O on beta-AgI surfaces - An effective pair potential model

The adsorption of a water molecule on surfaces of beta-AgI, the hexagonal crystal believed to be primarily responsible for the ice-nucleating properties of AgI, is studied on the basis of an effective pair potential model. The water molecule is represented by a rigid point charge ST-2 model and the AgI substrate by an array of point atoms, and maximal binding energy surfaces and optimal H2O configurations are generated for the water molecule adsorbed on the rigid and unrelaxed basal and prism faces. Modeling of H2O adsorption above a two-layer ledge, an iodine vacancy and an H2O molecule trapped in the vacancy indicates that H2O adsorption is favored at interstitial sites where no substrate atoms lie directly below. The prism face is found to attract the water molecule more strongly and provide larger energy barriers to surface diffusion than basal face sites, with the ideal basal faces providing hexagonal patterns of adsorption sites for the H2O with preferred dipole moments aligned.

Hale, B. N.↗
NASA NTRS2005

Dust Devils on Mars: Effects of Surface Roughness on Particle Threshold

Dust devils have been proposed as effective mechanisms for lofting large quantities of dust into the martian atmosphere. Previous work showed that vortices lift dust more easily than simple boundary layer winds. The aim of this study is to determine experimentally the effects of non-erodable roughness elements on vortex particle threshold through laboratory simulations of natural surfaces. Additional information is included in the original extended abstract.

Neakrase, Lynn D.↗
DOE OSTI2015

Evaluation of the surface roughness effect on suspended particle deposition near unpaved roads

The downwind transport and deposition of suspended dust raised by a vehicle driving on unpaved roads was studied for four differently vegetated surfaces in the USA states of Kansas and Washington, and one barren surface in Nevada. A 10 m high tower adjacent to the source (z10 m downwind) and an array of multi-channel optical particle counters at three positions downwind of the source measured the flux of particles and the particle size distribution in the advecting dust plumes in the horizontal and vertical directions. Aerodynamic parameters such as friction velocity (u*) and surface roughness length (z0) were calculated from wind speed measurements made on the tower. Particle number concentration, PM10 mass exhibited an exponential decay along the direction of transport. Coarse particles accounted for z95% of the PM10 mass, at least to a downwind distance of 200 m from the source. PM10 removed by deposition was found to increase with increasing particle size and increasing surface roughness under similar moderate wind speed conditions. The surface of dense, long grass (1.2 m high and complete surface cover) had the greatest reduction of PM10 among the five surfaces tested due to deposition induced by turbulence effects created by the rougher surface and by enhanced particle impaction/ interception effects to the grass blades.

Zhu, Dongzi↗
DOE OSTI2015

The exchange-correlation effects on surface plasmon oscillations in semi-bounded quantum plasma

We studied the surface plasmon waves in a quantum plasma half-space by considering the effects of exchange and correlation for the electrons. We used a quantum hydrodynamic approach, including the full set of Maxwell equations and considering two new quantities (measuring the exchange and correlation effects) in addition to the Fermi electron temperature and the quantum Bohm potential, to derive the dispersion relation for the surface plasmon waves. It was found that the exchange-correlation effects significantly modified the behavior of surface plasmon waves. We showed that the frequency of surface plasmon wave was down-shifted by the exchange-correlation effects. On the other hand, the quantum effects (including of the exchange-correlation effects and the quantum Bohm potential) was seen to cause an increase in the phase speed of surface plasmon waves. Our results can help to understand the propagation properties of surface waves in intense laser produced solid density plasmas and metallic plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1987

Solid sulfur in vacuum: Sublimation effects on surface microtexture, color and spectral reflectance, and applications to planetary surfaces

A form of sulfur that is white at room temperature and very fluffy in texture has been found in laboratory experiments on the effects of vacuum sublimation (evaporation) on solid sulfur. This work is an outgrowth of proton sputtering experiments on sulfur directed toward understanding Jovian magnetospheric effects on the surface of Io. Fluffy white sulfur is formed on the surface of solid yellow, tan, or brown sulfur melt freezes in vacuum by differential (fractional) evaporation of two or more sulfur molecular species present in the original sulfur; S(8) ring sulfur is thought to be the dominant sublimination phase lost to the vacuum sink, and polymeric chain sulfur S(u) the dominant residual phase that remains in place, forming the residual fluffy surface layer. The reflectance spectrum of the original sulfur surface is greaty modified by formation of the fluffy layer: the blue absorption band-edge and shoulder move 0.05 to 0.06 microns toward shorter wavelengths resulting in a permanent increase in reflectivity near 0.42 to 0.46 microns; the UV reflectivity below 0.40 microns is reduced. This form of sulfur should exist in large quantity on the surface of Io, especially in hotspot regions if there is solid free sulfur there that has solidified from a melt. Its color and spectra will indicate relative crystallization age on a scale of days to months and/or surface temperature distribution history.

Nash, D. B.↗
NASA NTRS1991

Characterization of length and velocity scales of free stream turbulence and investigation of their effects on surface heat transfer

The main objective of this research is to address two important but unresolved problems: (1) the measurement of vertical and transverse length scales via space correlations for all Reynolds stress components and velocity-temperature correlations, both in the free stream and within the boundary layer using the existing triple and quad-wire probes; and (2) to relate the character of the free stream turbulence to the character of the turbulence within the boundary layer in order to determine the effect on surface heat transfer.

Yavuzkurt, Savash↗
DOE OSTI2023

A computational study of how surfaces affect slip family activity

Plastic deformation behavior is most conveniently assessed by characterization on a surface, but whether such observations are representative of bulk properties is uncertain. Motivated by reported inconsistencies in slip resistance probed at different depths, we investigated (i) whether the average slip family activity is affected by the presence of a surface and (ii) how the kinematic nature of available slip families influences a potential surface effect. The slip family activity as a function of distance from the surface was extracted from full-field crystal plasticity simulations of random polycrystalline hexagonal close-packed (HCP) and body-centered cubic (BCC) metals as examples of mixed in contrast to universally-high numbers of slip systems per family. Under certain conditions, a deviation from bulk slip activity is observed up to about two grains from the surface. For the easiest (least slip-resistant) family, a surface effect of decreasing activity with depth emerges if the number of slip systems falls below about six. For harder families, slip activity always increases with depth. Furthermore, these phenomena are explained on the basis of varying constraints with depth in connection with the kinematic properties of slip families in the material.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Prediction of incidence and surface roughness effects on turbine performance

The results of a Navier-Stokes analysis for predicting the change in turbine efficiency due to a change in either incidence or surface roughness is discussed. It was experimentally determined by Boynton, Tabibzadeh, and Hudson that polishing the SSME high pressure fuel turbine blades improved turbine efficiency by about 2 points over a wide range of operating conditions. These conditions encompassed the range of incidence seen by the turbine blading during flight. It is also necessary to be able to predict turbine performance at various operating points for future rocket turbopump applications. The code RVCQ3D, developed by Rod Chima, was used to determine the effects of changes in incidence angle on turbine blade row efficiency. The midspan Navier-Stokes results were used in conjunction with an inviscid flow analysis code to predict the efficiency of the two stage SSME over a wide range of operating conditions for smooth and rough turbine blades. The use of the Navier-Stokes analysis to predict changes in turbine efficiency due to variation in incidence angles was found to be superior to other incidence loss correlations available in the literature. The sensitivity of the Navier-Stokes results to grid parameters is discussed. The effects of the surface roughness were accounted for using the Cebeci-Chang rough wall turbulence model. This model was implemented in the code RVCQ3D. The implementation of this model for predicting the change in efficiency is also discussed.

Boyle, R. J.↗