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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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Quantifying the atomistic free-volume morphology of materials with graph theory

Here, we introduce a new computational methodology for the identification and characterization of free volume within/around atomistic configurations. This scheme employs a three-stage workflow, by which spheres are iteratively grown inside of voxels, and ultimately converted to planar graphs, which are then characterized via a graph-based order parameter. Our approach is computationally efficient, physically intuitive, and universally transferable to any material system. Validation of our methodology is performed on several sets of materials problems: (1) classification of unique free volumes in various crystal phases, (2) autonomous detection and classification of complex surface defects during epitaxial growth simulations, (3) characterization of free volume defects in metals/alloys, and (4) quantification of the spatio-temporal behavior of nano-scale free volume morphologies as a function of both temperature and free-volume size. Our method accurately identifies and characterizes unique free volumes over a multitude of systems and length scales, indicating its potential for future use in understanding the relationship between free volume morphology and material properties under both static and dynamic conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

High aspect ratio organic light-emitting diodes

Reliability is particularly challenging for organic light-emitting diodes (OLEDs) used in solid-state lighting applications, because OLED lifetime is inversely proportional to luminance, and most lighting applications demand high luminance. Here we introduce a strategy to overcome this tradeoff by constructing OLEDs on a substrate with sub-mm, high aspect ratio surface texture. By creating more active OLED area per unit lighting panel area, the device current density required to generate a given panel luminance decreases. We validate this approach for fluorescent and phosphorescent OLEDs, demonstrating good thickness uniformity on corrugated substrates with area enhancement factors up to 1.4x using a standard thermal evaporator. Relative to planar controls at the same panel current density, the high aspect ratio devices achieve a 2.7-fold increase in operating lifetime and up to a 40% increase in external light extraction efficiency, indicating that this approach offers a powerful pathway to improve the efficiency and lifetime of OLED lighting.

OLED↗
DOE OSTI2022

Alcove formation in dissolving cliffs driven by density inversion instability

We demonstrate conditions that give rise to cave-like features commonly found in dissolving cliffsides with a minimal two-phase physical model. Alcoves that are wider at the top and tapered at the bottom, with sharp-edged ceilings and sloping floors, are shown to develop on vertical solid surfaces dissolving in aqueous solvents. As evident from descending plumes, sufficiently large indentations evolve into alcoves as a result of the faster dissolution of the ceiling due to a solutal Rayleigh–Bénard density inversion instability. In contrast, defects of size below the boundary layer thickness set by the critical Rayleigh number smooth out, leading to stable planar interfaces. Furthermore, the ceiling recession rate and the alcove opening area evolution are shown to be given to first-order by the critical Rayleigh number. By tracking passive tracers in the fluid phase, we show that the alcoves are shaped by the detachment of the boundary layer flow and the appearance of a pinned vortex at the leading edge of the indentations. The attached boundary layer past the developing alcove is then found to lead to rounding of the other sides and the gradual sloping of the floor.

58 GEOSCIENCES↗
NASA NTRS2005

Multi-Spacecraft Observations of Interplanetary Shocks

Multi-spacecraft solar wind observations reveal that many interplanetary shocks deviate significantly from exact planarity on scale length of the magnetospheric cross section. A number of different IP shock observations with four spacecraft will be presented to demonstrate quantitatively the angular deviations between shock normals obtained from 4-spacecraft methods, using only the time and position information of shock observations but assuming a exactly planar geometry, and those obtained from a non-linear least squares fitting of the "Rankine-Hugoniot" conservation equations at each spacecraft. Moreover, the curvature of the shock fronts is strongly related to its driver, typically magnetic clouds. It will be demonstrated that small and slower moving magnetic clouds drive shocks with significantly more irregular surface geometries.

Szabo, Adam↗
NASA NTRS2013

Experimental Investigation of Shock-Shock Interactions Over a 2-D Wedge at M=6

The effects of fin-leading-edge radius and sweep angle on peak heating rates due to shock-shock interactions were investigated in the NASA Langley Research Center 20-inch Mach 6 Air Tunnel. The fin model leading edges, which represent cylindrical leading edges or struts on hypersonic vehicles, were varied from 0.25 inches to 0.75 inches in radius. A 9deg wedge generated a planar oblique shock at 16.7deg to the flow that intersected the fin bow shock, producing a shock-shock interaction that impinged on the fin leading edge. The fin angle of attack was varied from 0deg (normal to the free-stream) to 15deg and 25deg swept forward. Global temperature data was obtained from the surface of the fused silica fins through phosphor thermography. Metal oil flow models with the same geometries as the fused silica models were used to visualize the streamline patterns for each angle of attack. High-speed zoom-schlieren videos were recorded to show the features and temporal unsteadiness of the shock-shock interactions. The temperature data were analyzed using one-dimensional semi-infinite as well as one- and two-dimensional finite-volume methods to determine the proper heat transfer analysis approach to minimize errors from lateral heat conduction due to the presence of strong surface temperature gradients induced by the shock interactions. The general trends in the leading-edge heat transfer behavior were similar for the three shock-shock interactions, respectively, between the test articles with varying leading-edge radius. The dimensional peak heat transfer coefficient augmentation increased with decreasing leading-edge radius. The dimensional peak heat transfer output from the two-dimensional code was about 20% higher than the value from a standard, semi-infinite one-dimensional method.

Jones, Michelle L.↗
NASA NTRS2013

Thermographic Phosphor Measurements of Shock-Shock Interactions on a Swept Cylinder

The effects of fin leading-edge radius and sweep angle on peak heating rates due to shock-shock interactions were investigated in the NASA Langley Research Center 20-inch Mach 6 Air Tunnel. The fin model leading edges, which represent cylindrical leading edges or struts on hypersonic vehicles, were varied from 0.25 inches to 0.75 inches in radius. A 9deg wedge generated a planar oblique shock at 16.7deg to the flow that intersected the fin bow shock, producing a shock-shock interaction that impinged on the fin leading edge. The fin angle of attack was varied from 0deg (normal to the free-stream) to 15deg and 25deg swept forward. Global temperature data was obtained from the surface of the fused silica fins using phosphor thermography. Metal oil flow models with the same geometries as the fused silica models were used to visualize the streamline patterns for each angle of attack. High-speed zoom-schlieren videos were recorded to show the features and temporal unsteadiness of the shock-shock interactions. The temperature data were analyzed using one-dimensional semi-infinite as well as one- and two-dimensional finite-volume methods to determine the proper heat transfer analysis approach to minimize errors from lateral heat conduction due to the presence of strong surface temperature gradients induced by the shock interactions. The general trends in the leading-edge heat transfer behavior were similar for the three shock-shock interactions, respectively, between the test articles with varying leading-edge radius. The dimensional peak heat transfer coefficient augmentation increased with decreasing leading-edge radius. The dimensional peak heat transfer output from the two-dimensional code was about 20% higher than the value from a standard, semi-infinite onedimensional method.

Jones, Michelle L.↗
DOE OSTI2020

The dependence of aluminum lattice orientation on semiconductor lattice parameter in planar InAs/Al hybrid heterostructures

We present a detailed study of 7-nm thick Al layers epitaxially grown on In x Al 1-x As or Al 1-x Ga x Sb y As 1-y (0 0 1) semiconductors using high-resolution transmission electron microscopy (HRTEM) and synchrotron X-ray diffraction (XRD). These techniques provide high spatial and high reciprocal space resolution information about Al lattice orientations and interfacial structure, highlighting the existence of a strong correlation between the surface lattice parameter of the semiconductor and the normal orientation of the aluminum film. The normal orientation of Al layers is found to be [1 1 1] when the in-plane semiconductor surface lattice parameter, a S , is smaller than 5.98 Å, and is [1 1 0] when aS is larger than this value. In the transition between these lattice parameters where one orientation is preferred, both orientations may be observed. Concomitant with the change in normal orientation is an inversion in the strain state of the aluminum film. When the normal orientation is [1 1 1], the Al film is compressively strained; while for [1 1 0] normal orientations, the Al in-plane strain is tensile. An energy balance model, accounting for surface, interfacial, side-face, and strain energy, and the registry of lattice planes across the semiconductor/aluminum interface provide explanations for the observed normal orientation and strain inversion.

36 MATERIALS SCIENCE↗
DOE OSTI2025

High Aspect Ratio OLEDs

Long-term reliability is especially challenging for organic light emitting diodes (OLEDs) used in solid-state lighting applications because OLED lifetime is inversely proportional to luminance, and most lighting applications demand high luminance. This project explored a new strategy to overcome this tradeoff by constructing OLEDs on a substrate with sub-mm, high aspect ratio surface texture. By creating more active OLED area per unit lighting panel area, the device current density required to generate a given panel luminance decreases. We validated this approach for both fluorescent and phosphorescent OLEDs, demonstrating good thickness uniformity on corrugated substrates with area enhancement factors up to 1.4x using a standard thermal evaporator. Relative to planar controls at the same panel current density, the high aspect ratio devices achieve a 2.7-fold increase in operating lifetime and up to a 40% increase in external light extraction efficiency. Experiments carried out on a pilot-line OLED manufacturing system demonstrated good coating uniformity, indicating that this approach has the potential to be implemented at scale and therefore offers a powerful pathway to improve the efficiency and lifetime of OLED lighting.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1990

Laser skin friction measurements and CFD comparison of weak-to-strong swept shock/boundary-layer interactions

A joint experimental and computational study of skin friction in weak-to-strong swept shock wave/turbulent boundary-layer interactions has been carried out. A planar shock wave is generated by a sharp fin at angles of attack alpha = 10 deg and 16 deg at M(infinity) = 3 and 16 and 20 deg at M(infinity) = 4. Measurements are made using the Laser Interferometer Skin Friction meter, which optically detects the rate of thinning of an oil film applied to the test surface. The results show a systematic rise in the peak c(f) at the rear part of the interaction, where the separated flow atttaches. For the stronget case studied, this peak is an order of magnitude higher than the incoming freestream c(f)level.

Kim, K.-S.↗
DOE OSTI2020

Erratum: “History of atomic layer deposition and its relationship with the American Vacuum Society” [J. Vac. Sci. Technol. A 31, 050818 (2013)]

The authors of this review article published in 20131 would like to correct some text and references relating to the first observations and publications on molecular layering. In Sec. II, “Early Years of Atomic Layer Processes” in the original article,1 the first two sentences of the fourth paragraph should instead say “The ALD principle, where surface reactions follow a binary sequence of self-limiting half-reactions, was reported under the name ‘molecular layering’ in the 1960s by S. I. Kol’tsov from Leningrad Technological Institute.2–6 These experiments were conducted under the scientific supervision of V. B. Aleskovskii. The ‘framework hypothesis,’ an antecedent to molecular layering, was proposed by V. B. Aleskovskii in 1952.6” In addition, again in this same section and paragraph, the last two sentences should instead say “In the 1969 article,3 the authors report that the initial reaction between TiCl4 and Si–OH tends to involve 3 Si–OH, forming one Ti–Cl, whereas after the first water step, the second TiCl4 exposure reacts with 2 Ti–OH, forming Ti–Cl2 groups. In the 1969 paper,3 a planar thin film was not produced or evaluated, although nanolayers were prepared by molecular layering at that time.6” These corrections do not affect other sections or the conclusions drawn in the article.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

High power conditioning and benchmarking of planar nitrogen-incorporated ultrananocrystalline diamond field emission electron source

Planar nitrogen-incorporated ultrananocrystalline diamond [(N)UNCD] has emerged as a unique field emission source attractive for accelerator applications because of its capability to generate a high charge beam and handle moderate vacuum conditions. Most importantly, (N)UNCD sources are simple to produce: Conventional high aspect ratio isolated emitters are not required to be formed on the surface, and the actual emitter surface roughness is on the order of only 10–100 nm. A careful reliability assessment of (N)UNCD is required before it may find routine application in accelerator systems. In the present study using an L-band normal conducting single-cell rf gun, a (N)UNCD cathode has been conditioned to ~ 42 MV / m in a well-controlled manner. It reached a maximum output charge of 15 nC corresponding to an average current of 6 mA during an emission period of 2.5 $μ$s . Imaging of the emission current revealed a large number of isolated emitters (density over 100/cm 2 ) distributed on the cathode, which is consistent with previous tests in dc environments. The performance metrics, the emission imaging, and the systematic study of emission properties during rf conditioning in a wide gradient range assert (N)UNCD as an enabling electron source for rf injector designs serving industrial and scientific applications. These studies also improve the fundamental knowledge of the practical conditioning procedure via a better understanding of the emission mechanisms.

43 PARTICLE ACCELERATORS↗
NASA NTRS1972

Phased array antenna matching: Simulation and optimization of a planar phased array of circular waveguide elements

A computerized simulation of a planar phased array of circular waveguide elements is reported using mutual coupling and wide angle impedance matching in phased arrays. Special emphasis is given to circular polarization. The aforementioned computer program has as variable inputs: frequency, polarization, grid geometry, element size, dielectric waveguide fill, dielectric plugs in the waveguide for impedance matching, and dielectric sheets covering the array surface for the purpose of wide angle impedance matching. Parameter combinations are found which produce reflection peaks interior to grating lobes, while dielectric cover sheets are successfully employed to extend the usable scan range of a phased array. The most exciting results came from the application of computer aided optimization techniques to the design of this type of array.

Dudgeon, J. E.↗
DOE OSTI2019

Strongly Coupled Phenazine–Porphyrin Dyads: Light-Harvesting Molecular Assemblies with Broad Absorption Coverage

The development of light-harvesting architectures with broad absorption coverage in the visible region continues to be an important research area in the field of artificial photosynthesis. In this work, we introduce a new class of ethynyl-linked panchromatic dyads composed of dibenzophenazines coupled ortho and meta to tetrapyrroles with an anchoring group that can be grafted onto metal oxide surfaces. Quantum chemical calculations and photophysical measurements of the synthesized materials reveal that both of the dibenzophenazine dyads absorb broadly from 300 to 636 nm and exhibit absorption bands different from those of the constituent chromophore units. Moreover, the different points of attachment of dibenzophenazines to tetrapyrroles give different absorption profiles which computations suggest result from differences in the planarity of the two dyads. Applicability of the dyads in artificial photosynthesis systems was assessed by their incorporation and characterization of their performance in dye-sensitized solar cells.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Spall and subsequent recompaction of copper under shock loading

Research was undertaken to study spall and subsequent recompaction of oxygen-free high-thermal-conductivity copper using a single-stage large-bore light gas gun capable of planar impacts. Gun experiments were conducted that produced an initial spall in the target with a subsequent recompaction of the spall damage/layer by the use of layered impactors. Symmetric spall experiments at similar conditions were also conducted as a control to the recompaction experiments. Photonic Doppler velocimetry was used to obtain the velocity history of the target’s back surface; these velocity histories were analyzed, and the results were compared to numerical simulations. After recovery of selected samples, the microstructure was analyzed using optical imaging microscopy and electron backscatter diffraction. Recompaction waves were clearly observed in the time-resolved data obtained at the back surface of the targets. Two different series of experiments were performed to understand the effect of damage morphology on the stress required for spall recompaction. In the initial series, the peak pressure of the first shock was systematically increased to alter the amount of damage in the material. While in the second series, the peak pressure of the second shock was increased, keeping the magnitude of the first shock relatively constant to understand the effect of peak stress on the recompaction process. Findings clearly show that recompaction results in a perturbed band of the microstructure at the location of the expected spall plane in all cases except where the peak stress of the second shock is lower than the critical value.

, recompaction↗
NASA NTRS1976

Diffraction of a shock wave by a compression corner; regular and single Mach reflection

The two dimensional, time dependent Euler equations which govern the flow field resulting from the injection of a planar shock with a compression corner are solved with initial conditions that result in either regular reflection or single Mach reflection of the incident planar shock. The Euler equations which are hyperbolic are transformed to include the self similarity of the problem. A normalization procedure is employed to align the reflected shock and the Mach stem as computational boundaries to implement the shock fitting procedure. A special floating fitting scheme is developed in conjunction with the method of characteristics to fit the slip surface. The reflected shock, the Mach stem, and the slip surface are all treated as harp discontinuities, thus, resulting in a more accurate description of the inviscid flow field. The resulting numerical solutions are compared with available experimental data and existing first-order, shock-capturing numerical solutions.

Vijayashankar, V. S.↗
NASA NTRS1988

Catastrophic volcanism as a cause of shocked features found at the K/T boundary and in cryptoexplosion structures

The presence of quartz grains containing shock lamellae at the Cretaceous/Tertiary (K/T) boundary is viewed by many as the single most compelling evidence of meteoritic or cometary impact because there is no known endogenous mechanism for producing these features. Similarly the presence of shocked quartz, shatter cones, coesite and stishovite at cryptoexplosion structures is comonly taken as conclusive evidence of impact. However, several recent studies have cast doubt on this interpretation. It is argued that basaltic volcanism, although not normally explosive, can under exceptional circumstances produce overpressures sufficiently high to produce shock features. The exceptional circumstances include a high content of volatiles, usually CO2, and no preestablished pathway to the surface. Rapid cooling of the saturated basaltic magma can occur if it underlies a cooler more evolved magma in a chamber. Initial slow cooling and partial exsolution of the volatiles will cause the density of the basaltic magma to become less than that of the overlying magma, leading to overturning and mixing. Gas will escape the magma chamber along planar cracks once the pressure becomes sufficiently high. In the vicinity of the crack tip there is a smallscale deviatoric stress pattern which is thought to be sufficiently high to produce transient cracks along secondary axes in the quartz crystals, causing the planar features. The CO2-rich fluid inclusions which have been found along planar elements of quartz in basement rocks of the Vredefort Dome were likely to have been emplaced by such a process. If the mechanism described is capable of producing shocked features as above, it would require a reassessment of the origin of many cryptoexplosion structures as well as seriously weakening the case for an impact origin of the K/T event.

Loper, D. E.↗
NASA NTRS2001

Combustion of Metals in Carbon Dioxide and Reduced-Gravity Environments

Ongoing exploration and future mission2001110444 s to Mars have given impetus to research on the use of natural resources of the planet. Since carbon dioxide (CO2) constitutes approximately 95% of the Mars atmosphere and since it reacts directly and vigorously with several metals, this investigation focuses on metal-CO2 reactions as a possible combination for rocket-propellant production and energy generation. Magnesium (Mg) has been initially selected as the metal fuel owing to its low ignition temperature and high specific impulse and burning rate in CO2. Our studies in this field started with low gravity (g) combustion tests of Mg in O2, CO2, and CO. Reduced gravity provided a clear picture of the burning phenomena by eliminating the intrusive buoyant flows in high-temperature metal reactions and by removing the destructive effect of gravity on the shape of molten metal samples. Suspended cylindrical metal samples of 2, 3, and 4-mm in diameter and length were radiatively ignited in low-g to generate free-floating samples exhibiting a spherically symmetric flame with increasing metal-oxide accumulation in an outer shell. For the Mg-CO2 combination, burning times twice as long as in normal-g and five times longer than in Mg-O2 flames were observed, revealing a diffusion-controlled reaction. The burning time is proportional to the square of the sample diameter. In tests conducted with pure CO, combustion was not possible without constant heating of the sample due to the formation of a thick carbon-containing coating around the Mg sample generated by surface reactions. The following work presents two new studies that attempt to explain some of the low-g experimental observations. First, a simplified one-dimensional, quasi-steady numerical model is developed to obtain temperature, species concentrations, and burning rates of the spherically symmetric diffusion flame around the Mg sample burning in O2 and CO2. Second, a Planar Laser Induced Fluorescence (PLIF) technique is implemented to provide spatially resolved measurements of magnesium oxide (MgO) in the reaction zone of Mg samples burning in O2 and CO2. These experiments reveal fundamental differences between the two combustion systems.

Branch, M. C.↗
NASA NTRS2011

Thrust Stand Measurements of the Microwave Assisted Discharge Inductive Plasma Accelerator

Pulsed inductive plasma thrusters [1-3] are spacecraft propulsion devices in which electrical energy is capacitively stored and then discharged through an inductive coil. This type of pulsed thruster is electrodeless, with a time-varying current in the coil interacting with a plasma covering the face of the coil to induce a plasma current. Propellant is accelerated and expelled at a high exhaust velocity (O(10-100 km/s)) by the Lorentz body force arising from the interaction of the magnetic field and the induced plasma current. While this class of thruster mitigates the life-limiting issues associated with electrode erosion, pulsed inductive plasma thrusters require high pulse energies to inductively ionize propellant. The Microwave Assisted Dis- charge Inductive Plasma Accelerator (MAD-IPA), shown in Fig. 1, is a pulsed inductive plasma thruster that addressees this issue by partially ionizing propellant inside a conical inductive coil before the main current pulse via an electron cyclotron resonance (ECR) discharge. The ECR plasma is produced using microwaves and a static magnetic field from a set of permanent magnets arranged to create a thin resonance region along the inner surface of the coil, restricting plasma formation, and in turn current sheet formation, to a region where the magnetic coupling between the plasma and the theta-pinch coil is high. The use of a conical theta-pinch coil also serves to provide neutral propellant containment and plasma plume focusing that is improved relative to the more common planar geometry of the Pulsed Inductive Thruster (PIT) [1, 2]. In this paper, we describe thrust stand measurements performed to characterize the performance (specific impulse, thrust efficiency) of the MAD-IPA thruster. Impulse data are obtained at various pulse energies, mass flow rates and inductive coil geometries. Dependencies on these experimental parameters are discussed in the context of the current sheet formation and electromagnetic plasma acceleration processes.

Hallock, Ashley K.↗