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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Accelerating Hydrogen Absorption and Desorption Rates in Palladium Nanocubes with an Ultrathin Surface Modification

Exploiting the high surface-area-to-volume ratio of nanomaterials to store energy in the form of electrochemical alloys is an exceptionally promising route for achieving high-rate energy storage and delivery. Nanoscale palladium hydride is an excellent model system for understanding how nanoscale-specific properties affect the absorption and desorption of energy carrying equivalents. Hydrogen absorption and desorption in shape-controlled Pd nanostructures does not occur uniformly across the entire nanoparticle surface. Instead, hydrogen absorption and desorption proceed selectively through high-activity sites at the corners and edges. Such a mechanism hinders the hydrogen absorption rates and greatly reduces the benefit of nanoscaling the dimensions of the palladium. To solve this, we modify the surface of palladium with an ultrathin platinum shell. This modification nearly removes the barrier for hydrogen absorption (89 kJ/mol without a Pt shell and 1.8 kJ/mol with a Pt shell) and enables diffusion through the entire Pd/Pt surface.

25 ENERGY STORAGE↗
DOE OSTI2021

Experimental investigation of elemental and isotopic evaporation processes by laser heating in an aerodynamic levitation furnace

In this report we carried out evaporation experiments on a B-type calcium–aluminium-rich inclusion (CAI) melt in a gas-mixing aerodynamic levitation laser furnace, at 1873 K and an oxygen partial pressure of 10 -9.1 atm, for durations ranging from 60 to 600 s. Evaporation of SiO 2 and MgO follow the same trend as those observed in vacuum furnace experiments at the same temperature and starting composition, showing that their evaporation relative to one another from the melt is independent of pressure, oxygen fugacity, and hydrodynamical regime specific to the furnace. Isotopic ratios of Mg and Si in evaporation residues are used to derive fractionation factors of α 26/24 Mg vap-liq = 0.9906± 0.0004 and α 30/28 Si vap-lip = 0.9943±0.0003, which are both significantly closer to unity than those found for evaporation in a vacuum, which translates to less isotope fractionation. The residues are also less isotopically fractionated than expected for cases in which transport of the gas species away from the melt is diffusion-controlled at 1-atm. By analysing the flow regimes in our furnace, we find that advection by the levitating gas is the primary mode of mass transport away from the melt surface, as opposed to diffusion-limited transport in a vacuum or 1-atm tube furnace. A modified Hertz–Knudsen–Langmuir formulation accounts for this process, and shows that isotopic fractionation of both Si and Mg reflect a saturation factor (ratio of the pressure of the evaporating species to vapour saturation pressure) equal to 0.75. This is in perfect accord with recent measurements of Cu isotopic fractionation using a similar furnace. The fact that three elements (Mg, Si, Cu) with varying equilibrium vapour pressures, activity coefficients in the liquid, and diffusion coefficients in the gas have the same scaling behaviour to saturation pressure is a strong indication that the mechanism controlling evaporation is driven by the hydrodynamical regime imposed in the furnace. Therefore, this class of experiments can be used to constrain processes in which advection dominates over diffusion, such as (but not limited to) planetary ejecta, tektites, giant impacts, nebular condensation in a turbulent flow, or nuclear fallout material. Finally, the possibility to reach high temperatures (in excess of 3500 K) in this furnace allows it to be used to evaluate the activity coefficients of melt components in extreme conditions relevant to molten planetary interiors (i.e., magma oceans), with a specific focus on refractory elements.

58 GEOSCIENCES↗
NASA NTRS2002

Fast Three-Dimensional Method of Modeling Atomic Oxygen Undercutting of Protected Polymers

A method is presented to model atomic oxygen erosion of protected polymers in low Earth orbit (LEO). Undercutting of protected polymers by atomic oxygen occurs in LEO due to the presence of scratch, crack or pin-window defects in the protective coatings. As a means of providing a better understanding of undercutting processes, a fast method of modeling atomic-oxygen undercutting of protected polymers has been developed. Current simulation methods often rely on computationally expensive ray-tracing procedures to track the surface-to-surface movement of individual "atoms." The method introduced in this paper replaces slow individual particle approaches by substituting a model that utilizes both a geometric configuration-factor technique, which governs the diffuse transport of atoms between surfaces, and an efficient telescoping series algorithm, which rapidly integrates the cumulative effects stemming from the numerous atomic oxygen events occurring at the surfaces of an undercut cavity. This new method facilitates the systematic study of three-dimensional undercutting by allowing rapid simulations to be made over a wide range of erosion parameters.

Snyder, Aaron↗
NASA NTRS1995

Hydrodynamic Stability of Multicomponent Droplet Gasification in Reduced Gravity

This investigation addresses the problem of hydrodynamic stability of a two-component droplet undergoing spherically-symmetrical gasification. The droplet components are assumed to have characteristic liquid species diffusion times that are large relative to characteristic droplet surface regression times. The problem is formulated as a linear stability analysis, with a goal of predicting when spherically-symmetric droplet gasification can be expected to be hydrodynamically unstable from surface-tension gradients acting along the surface of a droplet which result from perturbations. It is found that for the conditions assumed in this paper (quasisteady gas phase, no initial droplet temperature gradients, diffusion-dominated gasification), surface tension gradients do not play a role in the stability characteristics. In addition, all perturbations are predicted to decay such that droplets were hydrodynamically stable. Conditions are identified, however, that deserve more analysis as they may lead to hydrodynamic instabilities driven by capillary effects.

Aharon, I.↗
NASA NTRS1999

Optical Flow-Field Techniques Used for Measurements in High-Speed Centrifugal Compressors

The overall performance of a centrifugal compressor depends on the performance of the impeller and diffuser as well as on the interactions occurring between these components. Accurate measurements of the flow fields in each component are needed to develop computational models that can be used in compressor design codes. These measurements must be made simultaneously over an area that covers both components so that researchers can understand the interactions occurring between the two components. Optical measurement techniques are being used at the NASA Lewis Research Center to measure the velocity fields present in both the impeller and diffuser of a 4:1 pressure ratio centrifugal compressor operating at several conditions ranging from design flow to surge. Laser Doppler Velocimetry (LDV) was used to measure the intrablade flows present in the impeller, and the results were compared with analyses obtained from two three-dimensional viscous codes. The development of a region of low throughflow velocity fluid within this high-speed impeller was examined and compared with a similar region first observed in a large low-speed centrifugal impeller at Lewis. Particle Image Velocimetry (PIV) is a relatively new technique that has been applied to measuring the diffuser flow fields. PIV can collect data rapidly in the diffuser while avoiding the light-reflection problems that are often encountered when LDV is used. The Particle Image Velocimeter employs a sheet of pulsed laser light that is introduced into the diffuser in a quasi-radial direction through an optical probe inserted near the diffuser discharge. The light sheet is positioned such that its centerline is parallel to the hub and shroud surfaces and such that it is parallel to the diffuser vane, thereby avoiding reflections from the solid surfaces. Seed particles small enough to follow the diffuser flow are introduced into the compressor at an upstream location. A high-speed charge-coupled discharge (CCD) camera is synchronized to the laser pulse rate; this allows it to capture images of seed particle position that are separated by a small increment in time. A crosscorrelation of a particle's position in two consecutive images provides an estimate of flow velocity and direction. Multiple image pairs obtained in rapid succession at a particular flow condition provide enough measurements for statistical significance. PIV provides simultaneous velocity measurements over the entire plane that is illuminated by the light sheet instead of at a single point, as is the case when LDV is used. PIV has a further advantage in that the laser light pulse can be triggered by an external source such as a high-response pressure transducer. This feature will allow PIV to synchronize flow imaging to physical phenomena such as rotating stall or stall precursor waves. We hope that this technique can be used to obtain images of the flow field during and just prior to stall.

Skoch, Gary J.↗
DOE OSTI2019

Cu/Al Through Au Diffusion Characterized by KPFM

The nanometer scale characterization technique of Frequency Modulated Kelvin Probe Force Microscopy (FM-KPFM) will be used to assess a diffusion study on thin metal films that undergo accelerated aging. The KPFM technique provides a relatively easy, non-destructive methodology that does not require high-vacuum facilities to obtain nanometer-scale spatial resolution of surface chemistry changes. The KPFM technique will be exercised in an effort to explore its capacity to map surface potential contrast caused by diffusion in a manner that allows for a qualitative assessment of diffusion of Cu or Al through Au. Supporting data will be obtained from traditional techniques: AES, XPS and UPS. An aging study was conducted on thin metal test specimens comprised of 500nm Cu or Al then 500nm Au on Si. The accelerated aging process was performed under inert conditions at aging temperatures of 100°C for Cu/Au film stack and 175°C for Al/Au film stack at aging times of 8 hours, 24 hours, 96 hours (4 days), and 216 hours (9 days).A calibration method was developed using Au, Al and Cu standards to establish precision and repeatability of the KPFM technique. The average Contact Potential Difference (CPD)s and standard deviations for each metal were found and summarized. Averages from surface roughness of the AFM topography images and roughness analysis of KPFM potential images which yield an average CPD of each area of unaged vs aged coupon surfaces were compared and show trends that indicate surface chemistry.

36 MATERIALS SCIENCE↗
NASA NTRS1944

The Surface Structure of Ground Metal Crystals

The changes produced on metallic surfaces as a result of grinding and polishing are not as yet fully understood. Undoubtedly there is some more or less marked change in the crystal structure, at least, in the top layer. Hereby a diffusion of separated crystal particles may be involved, or, on plastic material, the formation of a layer in greatly deformed state, with possible recrystallization in certain conditions. Czochralski verified the existence of such a layer on tin micro-sections by successive observations of the texture after repeated etching; while Thomassen established, roentgenographically by means of the Debye-Scherrer method, the existence of diffused crystal fractions on the surface of ground and polished tin bars, which he had already observed after turning (on the lathe). (Thickness of this layer - 0.07 mm). Whether this layer borders direct on the undamaged base material or whether deformed intermediate layers form the transition, nothing is known. One observation ty Sachs and Shoji simply states that after the turning of an alpha-brass crystal the disturbance starting from the surface, penetrates fairly deep (approx. 1 mm) into the crystal (proof by recrystallization at 750 C).

Boas, W.↗
DOE OSTI2019

Ligand dynamics control structure, elasticity, and high-pressure behavior of nanoparticle superlattices

Precise engineering of nanoparticle superlattices (NPSLs) for energy applications requires a molecular-level understanding of the physical factors governing their morphology, periodicity, mechanics, and response to external stimuli. Such knowledge, particularly the impact of ligand dynamics on physical behavior of NPSLs, is still in its infancy. Here in this paper, we combine coarse-grained molecular dynamics simulations, and small angle X-ray scattering experiments in a diamond anvil cell to demonstrate that coverage density of capping ligands (i.e., number of ligands per unit area of a nanoparticle's surface), strongly influences the structure, elasticity, and high-pressure behavior of NPSLs using face-centered cubic PbS-NPSLs as a representative example. We demonstrate that ligand coverage density dictates (a) the extent of diffusion of ligands over NP surfaces, (b) spatial distribution of the ligands in the interstitial spaces between neighboring NPs, and (c) the fraction of ligands that interdigitate across different nanoparticles. We find that below a critical coverage density (1.8 nm-2 for 7 nm PbS NPs capped with oleic acid), NPSLs collapse to form disordered aggregates via sintering, even under ambient conditions. Above the threshold ligand coverage density, NPSLs surprisingly preserve their crystalline order even under high applied pressures (~40–55 GPa), and show a completely reversible pressure behavior. This opens the possibility of reversibly manipulating lattice spacing of NPSLs, and in turn, finely tuning their collective electronic, optical, thermo-mechanical, and magnetic properties.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Interfacial phonon scattering and transmission loss in > 1 µm thick silicon-on-insulator thin films

Scattering of phonons at boundaries of a crystal (grains, surfaces, or solid/solid interfaces) is characterized by the phonon wavelength, the angle of incidence, and the interface roughness, as historically evaluated using a specularity parameter p formulated by Ziman [Electrons and Phonons (Clarendon Press, Oxford, 1960)]. This parameter was initially defined to determine the probability of a phonon specularly reflecting or diffusely scattering from the rough surface of a material. The validity of Ziman's theory as extended to solid/solid interfaces has not been previously validated. Here, to better understand the interfacial scattering of phonons and to test the validity of Ziman's theory, we precisely measured the in-plane thermal conductivity of a series of Si films in silicon-on-insulator (SOI) wafers by time-domain thermoreflectance (TDTR) for a Si film thickness range of 1–10 μm and a temperature range of 100–300 K. The Si/SiO 2 interface roughness was determined to be 0.11±0.04nm using transmission electron microscopy (TEM). Furthermore, we compared our in-plane thermal conductivity measurements to theoretical calculations that combine first-principles phonon transport with Ziman's theory. Calculations using Ziman's specularity parameter significantly overestimate values from the TDTR measurements. We attribute this discrepancy to phonon transmission through the solid/solid interface into the substrate, which is not accounted for by Ziman's theory for surfaces. The phonons that are specularly transmitted into an amorphous layer will be sufficiently randomized by the time they come back to the crystalline Si layer, the effect of which is practically equivalent to a diffuse reflection at the interface. Finally, we derive a simple expression for the specularity parameter at solid/amorphous interfaces and achieve good agreement between calculations and measurement values.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Atomic Scale Account of the Surface Effect on Ionic Transport in Silver Hollandite

Here, nanosized electrodes for Li-ion batteries typically display improved electrochemical properties, which are generally attributed to the reduced dimensionality for lithiation. However, the intriguing roles of surface defects and disorder associated with the nanosized materials are often overlooked. Here, combining atomically resolved structural analysis with density functional theory calculations, we reveal that the formation of intrinsic oxygen vacancies near surface in silver hollandite nanorods modifies the local atomic structure and valence state. These surface reconstructions resulted from oxygen vacancies can significantly affect the diffusion pathways in what are otherwise one-dimensional (1D) tunneled structures. On the basis of energy barrier calculations, we demonstrate that the oxygen vacancies boost ionic transport through the edge sharing MnO 6 polyhedra in the a–b plane. Thus, within a single rod different from the inherent 1D tunnel diffusion in the interior, the ionic transport at oxygen vacancy decorated surfaces likely adopts a three-dimensional diffusion pathway including both tunnel and planar diffusion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Oscillatory redox behavior in oxides: Cyclic surface reconstruction and reactivity modulation via the Mars–van Krevelen mechanism

The breaking of translational symmetry at oxide surfaces gives rise to coordinatively unsaturated cations/anions and surface restructuring—key factors that govern surface reactivity. Using direct in situ environmental transmission electron microscopy (TEM) observations along with atomistic modeling, we report oscillatory redox behavior in CuO under H 2 , where cyclic surface reconstruction and reactivity modulation occur via the Mars–van Krevelen (MvK) mechanism. We observe self-switching between oxygen-rich and oxygen-deficient surface reconstructions, alternately activating and deactivating the surface for H 2 O formation. During periods of chemical inactivity, the oxygen-deficient surface undergoes slow reoxidation via lattice oxygen diffusing from subsurface and bulk reservoirs, restoring the active oxygen-rich surface termination. The inherent disparity in chemical activity among undercoordinated surface ions, along with sluggish subsurface-to-surface oxygen replenishment, drives this oscillatory redox cycle, modulating H2-induced loss of lattice oxygen at the surface and its delayed replenishment from the subsurface. This creates spatiotemporally separated redox steps at the oxide surface. The phenomena and atomistic insights presented here have significant implications for manipulating the surface reactivity of oxides by tuning the separation of these redox steps.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Modularization of Ceramic Hollow Fiber Membrane Technology for Air Separation

This proposed project is aimed at studying high performance and economically competitive ceramic membrane technology for air separation and high-purity oxygen production using hollow fiber ceramic membrane stack and module technology. The design of the single permeate membrane is a hollow fiber substrate-supported thin tri-layer structure. Radially well-aligned micro-channels are embedded in the thick substrate and open at the inner surface of the substrate, enabling facile air/gas diffusion. The tri-layer structure of thin dense membrane layer (~ 10 µm) sandwiched by porous surface layer on either side is then built on the substrate using advanced fabrication process. The tri-layer structure design allows different materials to be used in different layers, where the materials of surface layers have high surface exchange coefficients while the material of dense layer has high bulk diffusivity. Such a synergetic combination leads to high permeation performance. The focus of the proposed project will be on membrane stack/module development using the developed single hollow fiber membranes, including: 1) fabrication and characterization of novel single hollow fiber membranes; 2) membrane stack design and assembly using fabricated single membranes; 3) stack modeling and analysis to guide membrane stack designs; 4) permeation performance testing and characterization of membrane stacks. The hollow fiber feature and simple sealing requirement enable very compact design of membrane stacks, which have excellent flexibility for further modularizations at different scales. The operations of such membrane stack and module may employ the exhaust heat from other components of Integrated Gasification Combined Cycle and oxy-combustion systems. Therefore, modularization of such an air separation membrane technology can be incorporated into the DOE’s REMS (radically engineered modular systems)-gasification skid and support the oxidant feed of an oxygen-blown REMS gasifier scaled to different ranges.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

A Comparison of Adverse Meteorology Inputs for Emergency Management and Safety Basis Dispersion Modeling Applications at SRS

The MELCOR Accident Consequence Calculation System (MACCS), used for safety basis accident analyses at SRS, implements adjustment factors to consider the increased vertical turbulence associated with local surface roughness and the increased lateral turbulence associated with time-based plume meander. The two models used for SRS emergency planning radiological consequence assessment, i.e., Hotspot and Puff/Plume, currently do not have an option to input or apply diffusion adjustments for meander or surface roughness. Adverse meteorology conditions at SRS have been determined as E stability class and 1.3 meters per second wind speed for ground level releases. This is the input used for emergency planning models. Contrastingly safety basis analyses use a different input, representing adverse meteorology values as F stability class and wind speeds of 1.3 meters per second (for a ground level release). This results in an apparent discrepancy between the two approaches. In this report we document the differing modeling assumptions, discuss the logic behind each modeling approach used to represent local roughness and plume meander conditions, and numerically compare dispersion coefficients and concentration estimates obtained from each set of model inputs.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1994

L(alpha)-induced two-photon absorption of visible light emitted from an O-type star by H2(+) ions located near the surface of the Stromgren sphere surrounding the star: A possible explanation for the diffuse interstellar absorption bands (DIDs)

In this paper, a new model is proposed to account for the DIB's (Diffuse Interstellar Bands). In this model, the DIB's result from a non-linear effect: resonantly-enhanced two-photon absorption of H(2+) ions located near the surface of the Stromgren sphere that surrounds an O- or B- type star. The strong light that is required to 'drive' the two-photon transition is provided by L(alpha) light emerging from the Stromgren sphere that bounds the H II region surrounding the star. A value of approximately 100 micro W/sq cm is estimated for the L(alpha) flux at the Stromgren radius, R(s), of a strong (O5) star. It is shown that a c.w. L(alpha) flux of this intensity should be sufficient to induce a few percent absorption for visible light radiated by the same star at a frequency (omega2) that completes an allowed two-photon transition, provided (1) the L(alpha) radiation happens to be nearly resonant with the frequency of a fully-allowed absorber transition that effectively represents the first step in the two-photon transition, and (2) an effective column density approximately 10(sup18)/sq cm of the absorber is present near the Stromgren sphere radius, R(sub s).

Glownia, James H.↗
DOE OSTI2025

Stability of Mn-Doped TiO 2 Thin-Film Anodes during Water Oxidation Reactions

Incorporating manganese atoms into TiO 2 has been shown to improve its activity for water oxidation. However, its activity has been observed to steadily degrade under constant applied potential, especially at more oxidizing applied potentials. Here, the compositional profile and electrochemical stability of Mn-doped TiO 2 (Mn:TiO 2 ) thin-film electrodes precisely fabricated by atomic layer deposition (ALD) were evaluated to elucidate the mechanisms of electrode degradation. Although ALD enables the deposition of Mn dopants throughout the film thickness, only Mn within 1.5 nm of the surface was observed to be redox active. Annealing Mn:TiO 2 films in air leads to the diffusion of Mn toward the electrode surface and oxidation of the Mn and alters the redox behavior. Annealing endows greater stability to Mn redox behavior but does not fully stabilize the water oxidation current, suggesting that the two electrochemical processes are not precisely correlated. In situ inductively coupled plasma mass spectrometry reveals that Mn is lost from Mn:TiO 2 films at potentials greater than 1.8 V vs RHE. However, the initial Mn loss is equivalent to less than a single ALD layer of MnO x . Longer-term constant potential experiments suggest that Mn is lost from up to 1 nm of the electrode surface but that this loss may account for only a portion of the diminished water oxidation activity.

atomic layer deposition↗
NASA NTRS1989

Atmospheric correction of high resolution land surface images

Algorithms to correct for atmospheric-scattering effects in high-spatial resolution land-surface images require the ability to perform rapid and accurate computations of the top-of-atmosphere diffuse radiance field for arbitrarily general surface reflectance distributions (which may be both heterogeneous and non-Lambertian) and atmospheric models. Using three-dimensional radiative transfer (3DRT) theory algorithms are being developed. The methodology used to perform the 3DRT calculations is described. It is shown how these calculations are used to perform atmospheric corrections, and the sensitivity of the retrieved surface reflectances to atmospheric structural parameters is illustrated.

Diner, D. J.↗