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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Powdered aluminum and oxygen rocket propellants: Subscale combustion experiments

Aluminum combined with oxygen has been proposed as a potential lunar in situ propellant for ascent/descent and return missions for future lunar exploration. Engine concepts proposed to use this propellant have not previously been demonstrated, and the impact on performance from combustion and two-phase flow losses could only be estimated. Therefore, combustion tests were performed for aluminum and aluminum/magnesium alloy powders with oxygen in subscale heat-sink rocket engine hardware. The metal powder was pneumatically injected, with a small amount of nitrogen, through the center orifice of a single element O-F-O triplet injector. Gaseous oxygen impinged on the fuel stream. Hot-fire tests of aluminum/oxygen were performed over a mixture ratio range of 0.5 to 3.0, and at a chamber pressure of approximately 480 kPa (70 psia). The theoretical performance of the propellants was analyzed over a mixture ratio range of 0.5 to 5.0. In the theoretical predictions the ideal one-dimensional equilibrium rocket performance was reduced by loss mechanisms including finite rate kinetics, two-dimensional divergence losses, and boundary layer losses. Lower than predicted characteristic velocity and specific impulse performance efficiencies were achieved in the hot-fire tests, and this was attributed to poor mixing of the propellants and two-phase flow effects. Several tests with aluminum/9.8 percent magnesium alloy powder did not indicate any advantage over the pure aluminum fuel.

Meyer, Mike L.↗
NASA NTRS1994

Obscuration, orientation, and the infrared properties of radio-loud active galaxies

We report on a study of the mid- and far-infrared (MFIR) properties of several different classes of radio-loud active galactic nuclei (AGNs) using the IRAS database. Our goal is to try to improve the understanding of the possible relationships between the diverse classes of AGNs. The MFIR and radio properties of radio-loud AGNs are especially useful in this regard, since (excluding the blazar class, which we do not study here) the radio emission is thought to be emitted isotropically, and the radio and MFIR radiation should be much less affected by dust obscuration than radiation at shorter wavelengths. We have first compared samples of 3CR broad-line radio galaxies (BLRGs) and narrow-line radio galaxies (NLRGs) matched in radio flux and mean redshift. We find that the BLRGs are stronger than the NLRGs by a factor of 4-5 in their mid-IR emission but are similar to the NLRGs in the far-IR. This is qualitatively consistent with recent 'unification' models for NLRGs and BLRGs which invoke thermal MFIR emission from dusty 'obscuring tori,' but there may be an additional source of far-IR emission present in the more luminous broad-line objects (the radio-loud quasars) studied previously by Heckman, Chambers & Postman (1992). We have also compared samples of Fanaroff-Riley class I (FRI) and Fanaroff-Riley class II (FRII) radio galaxies matched in radio flux and redshift. The FRII galaxies are stronger MFIR emitters than the FRI galaxies by a factor of about 4. This is consistent with suggestions that the central engine in FRI galaxies produces relatively little radiant energy per unit jet power (expecially since we find that the weak MFIR emission from the FRI galaxies may not be powered by the AGN). Comparing samples of gigahertz-peaked spectrum (GPS) and compact steep spectrum (CSS) sources versus non-GPS-CSS sources, we find that the GPS-CSS and non-GPS-CSS sources have similar MFIR strengths. This suggests that the efficiency of the conversion of jet kinetic energy into radio emission is not much higher in the GPS-CSS sources, contrary to some theoretical predictions. Overall, we find that the MFIR and radio powers of all the classes of radio-loud AGNs we have studied correlate well with one another over a range of about 10(exp 3) in power. This is most naturally understood if the MFIR is primarily powered by the AGN in most highly luminous radio-loud AGNs. However, other processes (starbursts or the intracluster medium) may contribute significantly in the less radio-luminous radio galaxies.

Heckman, Timothy M.↗
NASA NTRS2008

Demonstrations that the Solar Wind Is Not Accelerated by Waves

The present work uses both observations and theoretical considerations to show that hydromagnetic waves cannot produce the acceleration of the fast solar wind and the related heating of the open solar corona. Waves do exist, and can play a role in the differential heating and acceleration of minor ions, but their amplitudes are not sufficient to power the wind, as demonstrated by extrapolation of magnetic spectra from Helios and Ulysses observations. Dissipation mechanisms invoked to circumvent this conclusion cannot be effective for a variety of reasons. In particular, turbulence does not play a strong role in the corona as shown by both observations of coronal striations and theoretical considerations of line-tying to a nonturbulent photosphere, nonlocality of interactions, and the nature of the kinetic dissipation. In the absence of wave heating and acceleration, the chromosphere and transition region become the natural source of open coronal energization. We suggest a variant of the 'velocity filtration' approach in which the emergence and complex churning of the magnetic flux in the chromosphere and transition region continuously and ubiquitously produces the nonthermal distributions required. These particles are then released by magnetic carpet reconnection at a wide range of scales and produce the wind as described in kinetic approaches. Since the carpet reconnection is not the main source of the energization of the plasma, there is no expectation of an observable release of energy in nanoflares.

Roberts, Aaron↗
NASA NTRS2010

Demonstrations that the Solar Wind is Not Accelerated by Waves or Turbulence

The present work uses observations and theoretical considerations to provide both qualitative and quantitative arguments that hydromagnetic waves, whether turbulent or not, cannot produce the acceleration of the fast solar wind and the related heating of the open solar corona. Waves do exist, and can play a role in the differential heating and acceleration of minor ions, but their amplitudes are not sufficient to power the wind, as demonstrated by extrapolation of magnetic spectra from Helios and Ulysses observations. Dissipation mechanisms invoked to circumvent this conclusion cannot be effective for a variety of reasons. In particular, turbulence does not play a strong role in the corona as shown both by observations of coronal striations and other features, and by theoretical considerations of line-tying to a nonturbulent photosphere, nonlocality of interactions, and the nature of the kinetic dissipation. We consider possible "ways out" of the arguments presented, and suggest that in the absence of wave or turbulent heating and acceleration, the chromosphere and transition region become the natural source, if yet unproven, of open coronal energization through the production of nonthermal particle distributions.

Roberts, D. Aaron↗
NASA NTRS1950

The gas kinetics of very high flight speeds

The aerodynamic forces on bodies of arbitrary shape were investigated under conditions such that the mean free path of the air molecule is greater than the dimensions of the body. Air pressures and friction forces were calculated from gas kinetic theory for surfaces facing both toward and away from the air stream at any angle. Air forces for an atmosphere of definite composition (molecular hydrogen) were calculated as a function of the flight velocity. The results indicate that the friction stresses between the air and the body surface are of the same magnitude as the dynamic pressure and as the air pressures normal to the surface. The application of the general method to the specific cases such as thin airfoils and projectiles leads to high drag coefficients and poor glide ratios even for the theoretically best wing sections.

AIR FLOW VELOCITY - MOLECULAR ENERGIES↗
DOE OSTI2025

Examining Ni Coarsening in Solid Oxide Electrolysis Cells by Characterizing NiH on Ni (111) Using a Combined Theoretical Approach

Ni coarsening in the fuel electrode of solid oxide cells (SOCs) is an important degradation mechanism. In this talk, density-functional theory and kinetic Monte Carlo methods are used to explore the hypothesis that the surface diffusion of NiH on Ni may promote Ni coarsening in the SOC operated in electrolysis cell mode. Using both methods and defining the diffusivity as the product of the surface coverage and single-molecule diffusivity, the diffusivity of NiH on Ni (111) is found to be sufficiently large under a significant overpotential to support the above hypothesis. Also, the time between the formation and dissociation of NiH on Ni (111) is predicted to be short at low coverages of H on Ni (111). Thus, significant progress is made toward developing a model of Ni coarsening considering both molecular and dissociated forms of NiH on Ni (111).

density functional theory (DFT)↗
DOE OSTI2023

Thermochemical processes for CO 2 hydrogenation to fuels and chemicals: Challenges and opportunities

This manuscript discusses the potential use of CO 2 as a carbon and oxygen carrier to return it to the carbon life cycle in the form of fuels or chemicals via thermochemical catalytic pathways. Theoretically, CO 2 hydrogenation can form a variety of fuels and chemicals. Practically, however, the selectivity, conversion, operating range, and kinetic limitations and operational cost determine the end product. Because of their high value and versatility as a chemical or fuel, small olefins (i.e., C 2 H 4 ) and methanol are often considered as target species. Whether alcohol or olefin formation, CH 4 and CO are the nature’s primary choices of CO 2 conversion. They can be formed over a wide operating temperature, pressure, and CO 2 :H 2 ratios. They are often competitive carbon species in olefin or methanol formation steps. Although they are less valuable as end products, they can be used as intermediate species. Secondary processes of CO and CH 4 to form chemicals and fuels can increase the overall CO 2 hydrogenation yield. Independent of the choice of end product, CO 2 hydrogenation requires hydrogen. Pure hydrogen derived mostly from fossil fuels adds to the overall process cost and also increases the CO 2 emissions. Hydrogen produced from water electrolysis is a renewable green pathway but is limited by the process efficiency and cost. As an alternative to pure hydrogen, low-value, small chain paraffins are suggested as the hydrogen carriers. Carbon dioxide–assisted oxidative dehydrogenation of paraffins to olefins process is a direct pathway to olefin formation. The paper discusses these potential pathways for CO 2 utilization based on theoretical analysis and recent advances in academia and industry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1988

Theoretical study of turbulent channel flow: Bulk properties, pressure fluctuations, and propagation of electromagnetic waves

In this paper, we apply two theoretical turbulence models, DIA and the recent GISS model, to study properties of a turbulent channel flow. Both models provide a turbulent kinetic energy spectral function E(k) as the solution of a non-linear equation; the two models employ the same source function but different closures. The source function is characterized by a rate n sub s (k) which is derived from the complex eigenvalues of the Orr--Sommerfeld (OS) equation in which the basic flow is taken to be of a Poiseuille type. The O--S equation is solved for a variety of Reynolds numbers corresponding to available experimental data. A physical argument is presented whereby the central line velocity characterizing the basic flow, U0 sup L, is not to be identified with the U0 appearing in the experimental Reynolds number. The theoretical results are compared with two types of experimental data: (1) turbulence bulk properties, and (2) properties that depend stongly on the structure of the turbulence spectrun at low wave numbers. The only existing analytical expression for Pi (k) cannot be used in the present case because it applies to the case of a flat plate, not a finite channel.

Canuto, V. M.↗
NASA NTRS1990

Theoretical study of turbulent channel flow - Bulk properties, pressure fluctuations, and propagation of electromagnetic waves

In this paper, we apply two theoretical turbulence models, DIA and the recent GISS model, to study properties of a turbulent channel flow. Both models provide a turbulent kinetic energy spectral function E(k) as the solution of a non-linear equation; the two models employ the same source function but different closures. The source function is characterized by a rate n sub s (k) which is derived from the complex eigenvalues of the Orr-Sommerfeld (OS) equation in which the basic flow is taken to be of a Poiseuille type. The O-S equation is solved for a variety of Reynolds numbers corresponding to available experimental data. A physical argument is presented whereby the central line velocity characterizing the basic flow, U0 sup L, is not to be identified with the U0 appearing in the experimental Reynolds number. The theoretical results are compared with two types of experimental data: (1) turbulence bulk properties, and (2) properties that depend strongly on the structure of the turbulence spectrum at low wave numbers. The only existing analytical expression for Pi (k) cannot be used in the present case because it applies to the case of a flat plate, not a finite channel.

Canuto, V. M.↗
NASA NTRS1991

Direct simulation of compressible turbulence in a shear flow

Compressibility effects on the turbulence in homogeneous shear flow are investigated. The growth of the turbulent kinetic energy was found to decrease with increasing Mach number: a phenomenon which is similar to the reduction of turbulent velocity intensities observed in experiments on supersonic free shear layers. An examination of the turbulent energy budget shows that both the compressible dissipation and the pressure-dilatation contribute to the decrease in the growth of kinetic energy. The pressure-dilatation is predominantly negative in homogeneous shear flow, in contrast to its predominantly positive behavior in isotropic turbulence. The different signs of the pressure-dilatation are explained by theoretical consideration of the equations for the pressure variance and density variance. Previously, the following results were obtained for isotropic turbulence: (1) the normalized compressible dissipation is of O(M(sub t)(exp 2)); and (2) there is approximate equipartition between the kinetic and potential energies associated with the fluctuating compressible mode. Both of these results were substantiated in the case of homogeneous shear. The dilatation field is significantly more skewed and intermittent than the vorticity field. Strong compressions seem to be more likely than strong expansions.

Sarkar, S.↗
DOE OSTI2023

A Nanoscale Ternary Amide‐rGO Composite with Boosted Kinetics for Reversible H 2 Storage

Abstract Metal amides are attractive candidates for hydrogen storage due to their high volumetric and gravimetric hydrogen densities. However, the sluggish kinetics and competing side reactions during hydrogen uptake and release limit their practical use. Here, a novel nanoconfined Li 2 Mg(NH) 2 @reduced graphene oxide (rGO) composite is presented, which is fabricated using a melt‐infiltration method with a minimum weight penalty of only 2 wt.%. The presence of rGO ensures close contact between the active phases, effectively preventing aggregation during cycling process. As a result, the reversible capacity of Li 2 Mg(NH) 2 @rGO reaches 4.42 wt.%, with no capacity degradation observed after multiple cycling. Theoretical calculations show that rGO catalyzes the hydrogen bond cleavage at the Mg‐amide/Li hydride interface, leading to local dehydrogenation hotspots and significantly improves kinetics of dehydrogenation compared to the bulk counterpart. This study provides a promising strategy for designing metal imide‐based composites to overcome the kinetic limitations and improve their reversible hydrogen storage performance.

08 HYDROGEN↗
DOE OSTI2023

Kinetic simulations of ignited mode cesium vapor thermionic converters

Cesium vapor thermionic converters are an attractive method of converting high-temperature heat directly to electricity, but theoretical descriptions of the systems have been difficult due to the multi-step ionization of Cs through inelastic electron–neutral collisions. This work presents particle-in-cell simulations of these converters, using a direct simulation Monte Carlo collision model to track 52 excited states of Cs. Here, these simulations show the dominant role of multi-step ionization, which also varies significantly based on both the applied voltage bias and pressure. The electron energy distribution functions are shown to be highly non-Maxwellian in the cases analyzed here. A comparison with previous approaches is presented, and large differences are found in ionization rates due especially to the fact that previous approaches have assumed Maxwellian electron distributions. Finally, an open question regarding the nature of the plasma sheaths in the obstructed regime is discussed. The one-dimensional simulations did not produce stable obstructed regime operation and thereby do not support the double-sheath hypothesis.

30 DIRECT ENERGY CONVERSION↗
NASA NTRS1981

Experimental and Theoretical Studies of Interstellar Grains

Steady state vibrational populations of SiO and CO in dilute black body radiation fields were calculated as a function of total pressure, kinetic temperature and chemical composition of the gas. Approximate calculations for polyatomic molecules are presented. Vibrational disequilibrium becomes increasingly significant as total pressure and radiation density decrease. Many regions of postulated grain formation are found to be far from thermal equilibrium before the onset of nucleation. Calculations based upon classical nucleation theory or equilibrium thermodynamics are expected to be of dubious value in such regions. Laboratory measurements of the extinction of small iron and magnetite grains were made from 195 nm to 830 nm and found to be consistent with predictions based upon published optical constants. This implies that small iron particles are not responsible for the 220 nm interstellar extinction features. Additional measurements are discussed.

Nuth, J. A., III↗
DOE OSTI2020

Partial-Single-Atom, Partial-Nanoparticle Composites Enhance Water Dissociation for Hydrogen Evolution

The development of an efficient electrocatalyst toward the hydrogen evolution reaction (HER) is of significant importance in transforming renewable electricity to pure and clean hydrogen by water splitting. However, the construction of an active electrocatalyst with multiple sites that can promote the dissociation of water molecules still remains a great challenge. Herein, a partial-single-atom, partial-nanoparticle composite consisting of nanosized ruthenium (Ru) nanoparticles (NPs) and individual Ru atoms as an energy-efficient HER catalyst in alkaline medium is reported. The formation of this unique composite mainly results from the dispersion of Ru NPs to small-size NPs and single atoms (SAs) on the Fe/N codoped carbon (Fe–N–C) substrate due to the thermodynamic stability. The optimal catalyst exhibits an outstanding HER activity with an ultralow overpotential (9 mV) at 10 mA cm -2 (η 10 ), a high turnover frequency (8.9 H 2 s -1 at 50 mV overpotential), and nearly 100% Faraday efficiency, outperforming the state-of-the-art commercial Pt/C and other reported HER electrocatalysts in alkaline condition. Both experimental and theoretical calculations reveal that the coexistence of Ru NPs and SAs can improve the hydride coupling and water dissociation kinetics, thus synergistically enhancing alkaline hydrogen evolution performance.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Hydrogen Localization and Cluster Formation in α-Zr from First-Principles Investigations

We report alpha-zirconium (α-Zr) is a hydrogen atom host material used in nuclear energy and semiconducting applications due to Zr's excellent properties such as corrosion resistance, low thermal neutrons cross-section, and thermodynamically favorable interstitial sequestering of H atoms. Herein we use density functional theory simulations to systematically analyze the initial stages of H insertion in the Zr matrix, and determine optimal hydrogen localization, distribution, and clustering tendencies from a thermodynamics and kinetics perspective. Our results suggest that H occupation of tetrahedral sites is strongly favored, consistent with previous experimental and theoretical studies. Further, a cooperative effect in H localization is shown where H atoms favor clustering. The H pair is found to be the most stable by occupying tetrahedral sites with pairs at second nearest-neighbor positions (TTn2). Among the four H atom clusters, the most favorable configuration has two TTn2 pairs forming "box " or "zig-zag" shaped-cluster with the pairs separated by 3.03 or 3.25 Å, respectively. Nudged elastic band simulations suggest that the formation of TTn2 is facile and is limited by the small diffusion barrier of the monomer of less than 0.1 eV. Further, the formation routes for the 4H atom clusters are also presented. The current study can serve as a foundation to systematically model H atom clustering in metals and alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Interface-engineered (AlMnCoNiZn) 3 O 4 @PPy nanocomposites for superior lithium storage: Mechanism and performance

The practical application of graphite anodes in lithium-ion batteries (LIBs) is constrained by low specific capacity (372 mAh g -1 ) and sluggish kinetics. Here, to address these limitations, our present study focuses on high-entropy oxides (HEOs), which offer high theoretical capacity and structural stability. We synthesized spinel-structured (AlMnCoNiZn) 3 O 4 nanoparticles via a solution combustion method and fabricated an (AlMnCoNiZn) 3 O 4 @polypyrrole (PPy) nanocomposite through in-situ polymerization. Our electrochemical tests demonstrate that the PPy modification significantly enhances performance. While the pristine (AlMnCoNiZn) 3 O 4 delivered 445 mAh g −1 after 100 cycles at 100 mA g −1 and 350 mAh g −1 after 1000 cycles at 1000 mA g −1 , the (AlMnCoNiZn) 3 O 4 @PPy composite achieved 695 mAh g −1 after 100 cycles and maintained 675 mAh g −1 after 1000 cycles. Furthermore, the composite improved rate capacity at 1000 mA g −1 from 211 mAh g −1 to 403 mAh g −1 . This work highlights how conductive and flexible polymer modifications can dramatically improve the electrochemical properties of HEOs. The developed (AlMnCoNiZn) 3 O 4 @PPy composite provides a promising direction for designing advanced anodes to meet next-generation energy storage demands.

Anodes material↗
DOE OSTI2021

Probing Early-Time Dynamics and Quark-Gluon Plasma Transport Properties with Photons and Hadrons

In this work, we use a hybrid model which relies on QCD effective kinetic theory - KøMPøST - to dynamically bridge the gap between IP-Glasma initial states and viscous hydrodynamics, for the theoretical interpretation of heavy-ion collision results. The hydrodynamic phase is then followed by dynamical freeze-out handled by UrQMD. It is observed that the new pre-equilibrium/pre-hydro phase does influence the extraction of transport coefficients. We also show how the early dynamics is reflected in photon observables.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Extreme radiation emission regime for electron beams in strong focusing ion channels and undulators

A fundamental comparison between a magnetic undulator and an ion channel, or betatron, radiation from relativistic electrons is presented. While conventional theories nominally range from the undulator (𝐾 <1) to the wiggler (𝐾 >1) regime, they are only applicable for sufficiently large Lorentz factors (𝛾 0 ≫𝐾). They therefore do not account for high 𝐾/𝛾 0 cases, for which we show that particle trajectories and radiation characteristics strongly deviate from the linear predictions in both magnetic undulators and ion channels. This problem arises from the fundamental differences between a magnetostatically and electrostatically induced oscillation. A reformulation of both the ion channel betatron wavelength and amplitude, as well as the same parameters in a magnetic undulator, permits us to compare cases with equivalent oscillation period and amplitude in the two different scenarios. The notable differences in spectral features of the two radiation mechanisms can then be addressed via numerical simulations of single particle as well as full beam dynamics. Additionally, we identify and quantify a novel transverse orbit precession effect in ion channels for particles with initial angular momentum relative to the device axis. This effect, which is significant in cases of strong transverse kinetic energy oscillations, alters both the radiation divergence and the beam emittance. In this paper, we present this new theoretical framework and compare its results with numerical simulation applied to realizable experimental tests of such radiation sources.

Frazzitta, Andrea [University of Rome “La Sapienza↗