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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Enhancing photonic systems using topology and non-Hermiticity

The broad goal of this project was to develop new analytical and numerical insights for how important photonic processes can be improved using recently discovered principles in topological and non-Hermitian physics. In particular, there are two recent discoveries that we aimed to harness to achieve this goal. First, it was discovered in condensed matter physics that crystalline symmetries can protect low-dimensional topologically protected states in lattices without the need for breaking time-reversal symmetry. These so-called ‘higher-order’ topological systems represent an important development for photonic systems, where it is very difficult to break time-reversal symmetry, and which had been previously thought necessary to realize topological phenomena. Second, the last decade has seen a significant amount of interest in phenomena which are unique to non-Hermitian systems, i.e., systems which do not conserve energy. For example, spatially patterned gain and loss can be used to realize exceptional points, which are degeneracies in a system’s spectrum where the system becomes defective, while the existence of radiative losses also enables a new route to confinement through bound states in the continuum. For such non-Hermitian phenomena, photonics again represents a critical platform, as photonic systems naturally lose light to their radiative environments, making them generally non-Hermitian, and it is also possible to incorporate additional gain or loss. Based on these broad principles, we pursued a range of projects to harness bound states in the continuum in a variety of different systems and architectures, develop real-space methods for classifying topological systems to yield better photonic design principles, and a novel Brillouin-based fiber laser for sensing strain.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1986

Symbolic generation of elastic rotor blade equations using a FORTRAN processor and numerical study on dynamic inflow effects on the stability of helicopter rotors

The process of performing an automated stability analysis for an elastic-bladed helicopter rotor is discussed. A symbolic manipulation program, written in FORTRAN, is used to aid in the derivation of the governing equations of motion for the rotor. The blades undergo coupled bending and torsional deformations. Two-dimensional quasi-steady aerodynamics below stall are used. Although reversed flow effects are neglected, unsteady effects, modeled as dynamic inflow are included. Using a Lagrangian approach, the governing equations are derived in generalized coordinates using the symbolic program. The program generates the steady and perturbed equations and writes into subroutines to be called by numerical routines. The symbolic program can operate on both expressions and matrices. For the case of hovering flight, the blade and dynamic inflow equations are converted to equations in a multiblade coordinate system by rearranging the coefficients of the equations. For the case of forward flight, the multiblade equations are obtained through the symbolic program. The final multiblade equations are capable of accommodating any number of elastic blade modes. The computer implementation of this procedure consists of three stages: (1) the symbolic derivation of equations; (2) the coding of the equations into subroutines; and (3) the numerical study after identifying mass, damping, and stiffness coefficients. Damping results are presented in hover and in forward flight with and without dynamic inflow effects for various rotor blade models, including rigid blade lag-flap, elastic flap-lag, flap-lag-torsion, and quasi-static torsion. Results from dynamic inflow effects which are obtained from a lift deficiency function for a quasi-static inflow model in hover are also presented.

Reddy, T. S. R.↗
NASA NTRS1999

Detailed Studies on the Structure and Dynamics of Reacting Dusty Flows at Normal and Microgravity

Dusty reacting flows are of particular interest for a wide range of applications. Inert particles can alter the flammability and extinction limits of a combustible mixture. Reacting particles can release substantial amount of heat and can be used either for power generation or propulsion. Accumulation of combustible particles in air can result in explosions which, for example, can occur in grain elevators, during lumber milling and in mine galleries. Furthermore, inert particles are used as flow velocity markers in reacting flows, and their velocity is measured by non-intrusive laser diagnostic techniques. Despite their importance, dusty reacting flows have been less studied and understood compared to gas phase as well as sprays. The addition of solid particles in a flowing gas stream can lead to strong couplings between the two phases, which can be of dynamic, thermal, and chemical nature. The dynamic coupling between the two phases is caused by the inertia that causes the phases to move with different velocities. Furthermore, gravitational, thermophoretic, photophoretic, electrophoretic, diffusiophoretic, centrifugal, and magnetic forces can be exerted on the particles. In general, magnetic, electrophoretic, centrifugal, photophoretic, and diffusiophoretic can be neglected. On the other hand, thermophoretic forces, caused by steep temperature gradients, can be important. The gravitational forces are almost always present and can affect the dynamic response of large particles. Understanding and quantifying the chemical coupling between two phases is a challenging task. However, all reacting particles begin this process as inert particles, and they must be heated before they participate in the combustion process. Thus, one must first understand the interactions of inert particles in a combustion environment. The in-detail understanding of the dynamics and structure of dusty flows can be only advanced by considering simple flow geometries such as the opposed-jet, stagnation-type. In such configurations the imposed strain rate is well characterized, and the in-depth understanding of the details of the physico-chemical processes can be systematically obtained. A number of computational and experimental studies on spray and particle flows have been conducted in stagnation-type configurations. Numerically, the need for a hybrid Eulerian-Lagrangian approach has been identified by Continillo and Sirignano, and the use of such approach has allowed for the prediction of the phenomenon of droplet flow reversal. Gomez and Rosner have conducted a detailed study on the particle response in the opposed-jet configuration, and the particle thermophoretic diffusivities were determined experimentally. Sung, Law and co-workers have conducted numerical studies on the effect of strain rate and temperature gradients on the dynamics of inert particles, as a way of understanding potential errors in experimental LDV data that may arise from thermophoretic forces. This investigation is a combined experimental and numerical study on the details of reacting dusty flows. The specific tasks are: (1) Experimental determination of laminar flame speeds, and extinction strain rates of dusty flows at normal- and micro-gravity as functions of the particle type, particle initial diameter, particle initial number density, and gas phase chemical composition; (2) Detailed numerical simulation of the experiments. Results are compared with experiments and the adequacy of theoretical models is assessed; and (3) Provision of enhanced insight into the thermo-chemical coupling between the two phases.

Andac, M. Gurhan↗
NASA NTRS1972

Investigation of the aluminium-aluminium oxide reversible transformation as observed by hot stage electron microscopy.

Thin foils of high purity aluminium and an Al-Al2O3 SAP type of alloy were oxidised in a specially designed hot stage specimen chamber in an electron microscope. Below 450 C, amorphous aluminium oxide formed on the foil surface and was first detectable at foil edges, holes, and pits. Islands of aluminium then nucleated in this amorphous oxide. The aluminium islands displayed either a lateral growth with eventual coalescence with other islands, or a reoxidation process which caused the islands to disappear. The aluminium island formation was determined to be related to the presence of the electron beam. A mechanism based upon electron charging due to the electron beam was proposed to explain the nucleation, growth, coalescence, disappearance, and geometry of the aluminium islands.

Grove, C. A.↗
DOE OSTI2026

A worldwide climatology of extreme air masses

Extreme temperature events are among the most damaging weather phenomena. In a warming world, more heat extremes and fewer cold extremes are expected in most regions in the future, a trade-off that warrants further understanding of such events. Here, we track and analyze large, persistent areas of hot and cold extreme temperatures in parallel, relative to the location and time of year, to quantify overall regional exposure to extreme temperatures. To accomplish this, we compare the frequencies, movements, trends, and sources/sinks in each type of extreme air mass, calling them extreme cold or extreme hot air masses (ECAMs/EHAMs). For most land regions, ECAMs occur more often than EHAMs, and ECAMs are more common in each hemisphere’s winter, when cold-air advection is strongest and most widespread. Average movement of ECAMs has a stronger equatorward component in winter than in summer, while movement of EHAMs is eastward all year, with less meridional movement than ECAMs. EHAMs have become more common almost everywhere on land, and the reverse is true for ECAMs, with the strongest trends in the northern hemisphere occurring in autumn, especially in the Arctic. The number of EHAMs around the world is increasing at a higher rate (+ 2.32 events/year) than ECAM numbers are decreasing (-1.27 events/year), causing a net increase in extremes, especially in some midlatitude regions. These results help to document the different processes driving hot and cold extremes, and thus the asymmetric and regionally varying trends in frequency for extreme air masses.

Ryan, James M↗
DOE OSTI2022

Designing Sites in Heterogeneous Catalysis: Are We Reaching Selectivities Competitive With Those of Homogeneous Catalysts?

A critical review of different prominent nanotechnologies adapted to catalysis is provided, with focus on how they contribute to the improvement of selectivity in heterogeneous catalysis. Ways to modify catalytic sites range from the use of the reversible or irreversible adsorption of molecular modifiers to the immobilization or tethering of homogeneous catalysts and the development of well-defined catalytic sites on solid surfaces. The latter covers methods for the dispersion of single-atom sites within solid supports as well as the use of complex nanostructures, and it includes the post-modification of materials via processes such as silylation and atomic layer deposition. All these methodologies exhibit both advantages and limitations, but all offer new avenues for the design of catalysts for specific applications. Because of the high cost of most nanotechnologies and the fact that the resulting materials may exhibit limited thermal or chemical stability, they may be best aimed at improving the selective synthesis of high value-added chemicals, to be incorporated in organic synthesis schemes, but other applications are being explored as well to address problems in energy production, for instance, and to design greener chemical processes. Finally, the details of each of these approaches are discussed, and representative examples are provided. We conclude with some general remarks on the future of this field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

Qualitative study of the behavior of minor species during a stratospheric warming with a 3-D model

It is well-known that the behavior of the ozone layer depends upon the coupling between several processes in the atmosphere. Natural or anthropogenic pollutants emitted from the surface or injected directly at high altitude may affect this layer. Assessment studies for long-term changes of the ozone layer are conducted with the aid of various two-dimensional models. These models describe the long-term and seasonal evolution of minor constituents and take into account the interaction between all processes. However, many limitations affect the self-consistency of these models e.g., the circulation in these models is only meridional and vertical and is not able to represent all types of motion in the atmosphere. During a perturbed winter in the north polar regions, the vortex is displaced from the pole to lower latitude so that wind may be reversed at a given location. Perturbed air masses are transported outside the darkened regions and may mix with local air masses. Three-dimensional models are the only tools which can describe correctly these sporadic phenomena.

Ramaroson, R.↗
NASA NTRS2001

Predictor-Corrector Entry Guidance for Reusable Launch Vehicles

An online entry guidance algorithm has been developed using a predictor-corrector approach. The algorithm is designed for the Reusable Launch Vehicle (RLV) and is demonstrated by using, the X-33 model. The objective of the design is to handle widely dispersed entry conditions and deliver the vehicle at the Terminal Area Energy Management (TAEM) interface box within an acceptable tolerance and without violating any of the vehicle physical constraints. Combination of several control variables is used in testing the performance and computational requirement of the algorithm. The control variables are the bank angle, angle-of-attack and the time for roll reversal. The bank angle and angle-of-attack profiles are the nominal profiles plus the perturbations in each direction. The initial guess of the bank profile is a 45 degrees bank angle with reversal at 360 seconds from liftoff. A six-element state vector is propagated to the TAEM interface box through the integration of the equations of motion (EOM). Altitude, heading and range errors are computed between the desired and the achieved state at the TAEM interface. These errors are used to correct the initial guess of the control variables. This process is repeated until the errors meet an acceptable level at the TAEM interface. Several numerical optimization methods are used to evaluate the convergent property of the predictor-predictor methodology. Successful results are demonstrated using the X-33 model.

Youssef, Hussein↗
DOE OSTI2023

Plasma assisted distributed chemical production

The present development is a process to produce commodity chemicals such as methanol and syngas using an integrated plasma catalysis technology. The method comprises providing a fixed or fluidized bed reactor having a microwave plasma flame and a catalyst bed with a catalyst, wherein the catalyst is an alloyed bimetallic nanowire. In the process, the plasma flame fluidizes the catalyst thereby producing a more effective catalyst than the non-fluidized catalyst. It is anticipated that the reactor can have a throughput capacity of up to 30 Lpm/kW and can be effective for the conversion of CO 2 , CH 4 , air, water, and combinations thereof, through reactions such as pure CO 2 splitting, reverse water gas shift (RWGS) for CO production, methanol synthesis, and plasma reforming of methane, thereby making a system that would be attractive for small GTL units.

Sunkara, Mahendra↗
DOE OSTI2024

Water-induced surface ordering facilitating the microcutting of ductile metals

Metal cutting is a crucial process in modern manufacturing. Enhancing the machinability of metals can significantly improve their production efficiency and surface integrity. Coating surface-active media (SAM) on the free surface of the metals before cutting is an easy method to improve machinability, which usually pertains to the category of the renowned Rehbinder effect. However, the existing SAM is usually hazardous and complex materials. Besides, the effect of SAM on the local structure of the metal surface remains unclear. In this study, water is employed as a simple yet often overlooked SAM in the microcutting of copper. Using water as SAM also allows the employment of X-ray absorption fine structure spectroscopy (XAFS) to study the local structure of copper with and without water coating. Results show that water coating on the free surface of copper can significantly reduce the cutting force and chip thickness, and improve the surface finish. Interestingly, removing the water coating enables the recovery of the cutting force, demonstrating a reversible effect. Based on the XAFS results and molecular dynamics simulation, a water-induced surface ordering mechanism is proposed to explain the findings from the microcutting experiments. This mechanism suggests that water molecules can induce surface ordering in copper, resulting in reduced surface energy and fracture toughness of copper, thus enhancing machinability. In conclusion, this work provides valuable insights into the comprehension of the Rehbinder effect and shows that picometer-scale modifications of the surface atom arrangement can considerably alter the deformation mode of metals, paving the way for the development of new manufacturing processes.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Dynamical electron correlation and the chemical bond. I. Covalent bonds in AH and AF (A = B–F)

Dynamical electron correlation has a major impact on the computed values of molecular properties and the energetics of molecular processes. This study focused on the effect of dynamical electron correlation on the spectroscopic constants ($R$ e , $ω$ e , $D$ e ), and potential energy curves, Δ$E$($R$), of the covalently bound AH and AF molecules, A = B–F. The changes in the spectroscopic constants (Δ$R$ e , Δ$ω$ e , Δ$D$ e ) caused by dynamical correlation are erratic and, at times, even surprising. These changes can be understood based on the dependence of the dynamical electron correlation energies of the AH and AF molecules as a function of the bond distance, i.e., Δ$E$ DEC ($R$). At large $R$, the magnitude of Δ$E$ DEC ($R$) increases nearly exponentially with decreasing $R$, but this increase slows as $R$ continues to decrease and, in many cases, even reverses at very short $R$. The changes in Δ$E$ DEC ($R$) in the region around $R$ e were as unexpected as they were surprising, e.g., distinct minima and maxima were found in the curves of Δ$E$ DEC ($R$) for the most polar molecules. The variations in Δ$E$ DEC ($R$) for $R$ ≲ $R$ e are directly correlated with major changes in the electronic structure of the molecules as revealed by a detailed analysis of the spin-coupled generalized valence bond wave function. In conclusion, the results reported here indicate that we have much to learn about the nature of dynamical electron correlation and its effect on chemical bonds and molecular properties and processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2012

Mapping Impervious Surface Expansion using Medium-resolution Satellite Image Time Series: A Case Study in the Yangtze River Delta, China

Cities have been expanding rapidly worldwide, especially over the past few decades. Mapping the dynamic expansion of impervious surface in both space and time is essential for an improved understanding of the urbanization process, land-cover and land-use change, and their impacts on the environment. Landsat and other medium-resolution satellites provide the necessary spatial details and temporal frequency for mapping impervious surface expansion over the past four decades. Since the US Geological Survey opened the historical record of the Landsat image archive for free access in 2008, the decades-old bottleneck of data limitation has gone. Remote-sensing scientists are now rich with data, and the challenge is how to make best use of this precious resource. In this article, we develop an efficient algorithm to map the continuous expansion of impervious surface using a time series of four decades of medium-resolution satellite images. The algorithm is based on a supervised classification of the time-series image stack using a decision tree. Each imerpervious class represents urbanization starting in a different image. The algorithm also allows us to remove inconsistent training samples because impervious expansion is not reversible during the study period. The objective is to extract a time series of complete and consistent impervious surface maps from a corresponding times series of images collected from multiple sensors, and with a minimal amount of image preprocessing effort. The approach was tested in the lower Yangtze River Delta region, one of the fastest urban growth areas in China. Results from nearly four decades of medium-resolution satellite data from the Landsat Multispectral Scanner (MSS), Thematic Mapper (TM), Enhanced Thematic Mapper plus (ETM+) and China-Brazil Earth Resources Satellite (CBERS) show a consistent urbanization process that is consistent with economic development plans and policies. The time-series impervious spatial extent maps derived from this study agree well with an existing urban extent polygon data set that was previously developed independently. The overall mapping accuracy was estimated at about 92.5% with 3% commission error and 12% omission error for the impervious type from all images regardless of image quality and initial spatial resolution.

Gao, Feng↗
DOE OSTI2021

Thermal Unequilibrium of PdSn Intermetallic Nanocatalysts: From In Situ Tailored Synthesis to Unexpected Hydrogenation Selectivity

Effective control on chemoselectivity in the catalytic hydrogenation of C=O over C=C bonds is uncommon with Pd-based catalysts because of the favored adsorption of C=C bonds on Pd surface. Here we report a unique orthorhombic PdSn intermetallic phase with unprecedented chemoselectivity toward C=O hydrogenation. We observed the formation and metastability of this PdSn phase in situ. During a natural cooling process, the PdSn nanoparticles readily revert to the favored Pd 3 Sn 2 phase. Instead, using a thermal quenching method, we prepared a pure-phase PdSn nanocatalyst. Furthermore, PdSn shows an >96% selectivity toward hydrogenating C=O bonds of various α,β-unsaturated aldehydes, highest in reported Pd-based catalysts. Further study suggests that efficient quenching prevents the reversion from PdSn- to Pd 3 Sn 2 -structured surface, the key to the desired catalytic performance. Density functional theory calculations and analysis of reaction kinetics provide an explanation for the observed high selectivity.

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

Theoretical Calculation Guided Design of Single-Atom Catalysts toward Fast Kinetic and Long-Life Li–S Batteries

Lithium–sulfur (Li–S) batteries are enticing next-generation energy storage technologies due to their high theoretical energy density, environmental friendliness, and low cost. Yet, low conductivity of sulfur species, dissolution of polysulfides, poor conversion from sulfur reduction, and lithium sulfide (Li 2 S) oxidation reactions during discharge–charge processes hinder their practical applications. Herein, under the guidance of density functional theory calculations, we have successfully synthesized large-scale single atom vanadium catalysts seeded on graphene to achieve high sulfur content (80 wt % sulfur), fast kinetic (a capacity of 645 mAh g –1 at 3 C rate), and long-life Li–S batteries. Both forward (sulfur reduction) and reverse reactions (Li 2 S oxidation) are significantly improved by the single atom catalysts. This finding is confirmed by experimental results and consistent with theoretical calculations. The ability of single metal atoms to effectively trap the dissolved lithium polysulfides (LiPSs) and catalytically convert the LiPSs/Li 2 S during cycling significantly improved sulfur utilization, rate capability, and cycling life. Our work demonstrates an efficient design pathway for single atom catalysts and offers solutions for the development of high energy/power density Li–S batteries.

25 ENERGY STORAGE↗
DOE OSTI2022

Visible-Light-Driven, Iridium-Catalyzed Hydrogen Atom Transfer: Mechanistic Studies, Identification of Intermediates, and Catalyst Improvements

The harvesting of visible light is a powerful strategy for the synthesis of weak chemical bonds involving hydrogen that are below the thermodynamic threshold for spontaneous H 2 evolution. Piano-stool iridium hydride complexes are effective for the bluelight- driven hydrogenation of organic substrates and contrathermodynamic dearomative isomerization. In this work, a combination of spectroscopic measurements, isotopic labeling, structure–reactivity relationships, and computational studies has been used to explore the mechanism of these stoichiometric and catalytic reactions. Photophysical measurements on the iridium hydride catalysts demonstrated the generation of long-lived excited states with principally metal-to-ligand charge transfer (MLCT) character. Transient absorption spectroscopic studies with a representative substrate, anthracene revealed a diffusion-controlled dynamic quenching of the MLCT state. The triplet state of anthracene was detected immediately after the quenching events, suggesting that triplet–triplet energy transfer initiated the photocatalytic process. The key role of triplet anthracene on the post-energy transfer step was further demonstrated by employing photocatalytic hydrogenation with a triplet photosensitizer and a HAT agent, hydroquinone. DFT calculations support a concerted hydrogen atom transfer mechanism in lieu of stepwise electron/proton or proton/electron transfer pathways. Kinetic monitoring of the deactivation channel established an inverse kinetic isotope effect, supporting reversible C(sp 2 )–H reductive coupling followed by rate-limiting ligand dissociation. Mechanistic insights enabled design of a piano-stool iridium hydride catalyst with a rationally modified supporting ligand that exhibited improved photostability under blue light irradiation. The complex also provided improved catalytic performance toward photoinduced hydrogenation with H 2 and contra-thermodynamic isomerization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

Model development of supersonic trough wind with shocks

The time dependent one dimensional hydrodynamic equations describe the evolution of the thermal plasma flow along closed magnetic field lines outside of the plasmasphere. The convection of the supersonic polar wind onto a closed fieldline results in the assumed formation of collisionless plasma shocks. These shocks move earthward as the field line with its frozen-in plasma remains fixed or contracts with time to smaller L coordinates. The high equatorial plasma temperature (of the order of electron volts) produced by the shock process decreases with time if the flow is isothermal but it will increase if the contraction is under adiabatic conditions. Assuming adiabaticity a peak in the temperature forms at the equator in conjunction with a depression in the ion density. After an initial contraction, if the flux tube drifts to higher L coordinates the direction of the shock motion can be reversed so that the supersonic region will expand along the field line towards the state characterizing the supersonic polar wind. A rapid expansion will lower the equatorial density while the temperature decreases with time under adiabatic but not isothermal conditions.

Grebowsky, J. M.↗
NASA NTRS1972

Model development of supersonic trough wind with shocks.

The time-dependent one dimensional hydrodynamic equations describe the evolution of the thermal plasma flow along closed magnetic field lines outside of the plasmasphere. The convection of the supersonic polar wind onto a closed field line results in the assumed formation of collisionless plasma shocks. These shocks move earthward as the field line with its 'frozen-in' plasma remains fixed or contracts with time to smaller L coordinates. The high equatorial plasma temperature (of the order of electron volts) produced by the shock process decreases with time if the flow is isothermal, but it will increase if the contraction is under adiabatic conditions. Assuming adiabaticity a peak in the temperature forms at the equator in conjunction with a depression in the ion density. After an initial contraction, if the flux tube drifts to higher L coordinates, the direction of the shock motion can be reversed so that the supersonic region will expand along the field line toward the state characterizing the supersonic polar wind.

Grebowsky, J. M.↗
NASA NTRS1993

A new NASA LaRC Multi-Purpose Prepregging Unit

A multi-purpose prepregging machine has been designed and built for NASA Langley Research Center. The machine has numerous advantages over existing units due to its various modular components. Each of these can be used individually or simultaneously depending on the required prepregging method. A reverse roll coater provides the ability to prepare thin films from typical hot-melt thermoset formulations. Also, if necessary, the design allows direct fiber impregnation within the reverse roll coater gap. Included in the impregnation module is a solution dip tank allowing the fabrication of thermoplastic prepregs from solution. The proceeding modules within the unit consist of four nip stations, two hot-plates, a hot-sled option and a high temperature oven. This paper describes the advantages of such a modular construction and discusses the various processing combinations available to the prepregger. A variety of high performance prepreg material systems were produced on IM7 (Hercules) carbon fiber. These included LaRC RP46, a PMR-type resin processed from methanol and two polyamide acids, LaRC IA and LaRC ITPI, prpregged from N-methyl pyrrolidinone (NMP). Parameters involved in the production of these prepreg materials are presented as are the mechanical properties of the resulting good quality laminates. A brief introduction into the existing prepregging science is presented. Topics relating to solution prepregging are identified with a focus on the current research effort and its future development.

Wilkinson, S. P.↗