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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 19 records

High Fidelity Simulations of a Methane-Oxygen Rotating Detonation Rocket Engine

The rotating detonation combustor (RDC) is an important realization of pressure gain combustion for practical applications. The RDC system is characterized by a highly unsteady flow field, with multiple reflected pressure waves following the strong detonations and the existence of partially-burnt gases entrained within the detonation annulus during the injector recovery process. While experimental efforts have provided macroscopic properties of an RDC with a given fuel-oxidizer mixture and geometry, limited optical access and reduced lifespan of flow-field diagnostic equipment constrain understanding of the mechanisms that lend to wave stability, controllability, and sustainability. To this end, high-fidelity numerical simulations of the Air Force Research Laboratory (AFRL) methane-oxygen rotating detonation rocket engine (RDRE) are performed to provide detailed insight into the detonation physics and anomalous behavior within the combustor. The results highlight the merit of high-fidelity numerical studies in analyzing the combustion processes and injector dynamics of a complex combustion system. The simulations capture the general wave behavior observed within the experimental studies. Three different operating conditions, with varying global equivalence ratio and system mass flow rate, are considered: (1) baseline configuration, (2) high equivalence ratio, and (3) high mass flow rate. The high mass flow rate case results in increased detonation wave strength whereas the high equivalence ratio results in increased deflagrative heat release. The high equivalence ratio case results in chaotic behavior with two pairs of counter-rotating detonation waves, whereas a single pair of co-rotating waves is observed in the baseline and high mass flow rate cases. Further, parasitic combustion of the reactant mixture ahead of the detonation wave diminishes its strength and reduces propagation speed to approximately 50-60\% of the Chapman-Jouguet (CJ) condition. In this work, a detailed analysis of the detonation wave behavior, injector dynamics, and the statistics of combustion parameters are presented.

Prakash, Supraj↗

Dirac systems with magnetic field and position-dependent mass: Darboux transformations and equivalence with generalized Dirac oscillators

Highlights: • We construct Darboux transformations for Dirac systems with position-dependent mass. • Our systems are either Dirac oscillators or coupled to a magnetic field. • We use our Darboux transformation to construct new solvable Dirac systems. We construct a Darboux transformation for a class of two-dimensional Dirac systems at zero energy. Our starting equation features a position-dependent mass, a matrix potential, and an additional degree of freedom that can be interpreted either as a magnetic field perpendicular to the plane or a generalized Dirac oscillator interaction. We obtain a number of Darboux-transformed Dirac equations for which the zero energy solutions are exactly known.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The Most Metal-poor Stars in Omega Centauri (NGC 5139)

The most massive and complex globular clusters in the Galaxy are thought to have originated as the nuclear cores of now tidally disrupted dwarf galaxies, but the connection between globular clusters and dwarf galaxies is tenuous with the M54/Sagittarius system representing the only unambiguous link. The globular cluster Omega Centauri (ω Cen) is more massive and chemically diverse than M 54, and is thought to have been the nuclear star cluster of either the Sequoia or Gaia-Enceladus galaxy. Local Group dwarf galaxies with masses equivalent to these systems often host significant populations of very metal-poor stars ([Fe/H] < −2.5), and one might expect to find such objects in ω Cen. Using high-resolution spectra from Magellan-M2FS, we detected 11 stars in a targeted sample of 395 that have [Fe/H] ranging from −2.30 to −2.52. These are the most metal-poor stars discovered in the cluster, and are five times more metal-poor than ω Cen’s dominant population. However, these stars are not so metal-poor as to be unambiguously linked to a dwarf galaxy origin. The cluster’s metal-poor tail appears to contain two populations near [Fe/H] ∼ −2.1 and −2.4, which are very centrally concentrated but do not exhibit any peculiar kinematic signatures. Several possible origins for these stars are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗

Super‐Droplet Method to Simulate Lagrangian Microphysics of Nuclear Fallout in a Homogeneous Cloud

Abstract Nuclear detonations produce hazardous local and global particles or fallout. Predicting fallout size, chemical components, and location is necessary to inform officials and determine immediate guidance for the public. However, existing nuclear detonation fallout models prescribe the particle size distributions based on limited observations. In this work, we apply the super‐droplet method, which is a numerical modeling technique developed for cloud microphysics, to simulate size distributions of particles in a mushroom cloud formed post‐detonation of a nuclear device. We model fallout formation and evolution with homogeneous nucleation and condensation of a single species and a Monte Carlo coagulation algorithm. We verify the numerical methods representing coagulation and condensation processes against analytical test problems. Additionally, we explore several scenarios for the integral system mass and yield in equivalent kilotons (kt) of TNT (trinitrotoluene). The fallout size distribution median diameter d pg follows a scaling law based on the integral system mass m v 0 kg and yield Y kt: nm. We test the effect of cloud turbulence, enhanced nucleation and growth, and vapor volatility with a sensitivity study. The range in median diameter predictions for simulations of historical tests performed over the Pacific encompass the measurements of particles sampled from the cloud caps. Predicted median particle size ranges up to 217, 123, 86, and 35 nm for historical tests with yields of 0.2, 0.7, 2, and 10 Mt, respectively. This work can be expanded in many different directions to build a more predictive model for fallout formation.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Experimental Study of the Invariance of Pressure Gain with Respect to the Dynamics of Multiple Competing Waves in a Rotating Detonation Combustor

Changes in the overall performance of a rotating detonation combustor with respect to changes in operation mode and wave dynamics arising by operation with fixed inlet/exit geometry but at different combustor, lengths are investigated experimentally. The air inlet, fuel injection, and exit constriction geometry are held constant while only the length of the detonation channel is varied from 71 to 137 mm (which corresponds to about 10 to 20 channel widths). Operation of H2/air over a range of air mass flow rates and equivalence ratios are considered for every chamber length. The number and speed of (primary) detonation and secondary waves are characterized through high-speed pressure measurements in the detonation channel and aft chemiluminescence videos. The number of waves is found to increase with length while detonation wave speed decreases significantly. Particular emphasis is given to characterize a phenomenon that is observed at operation with longer combustor lengths and higher mass flow rates. The phenomenon manifests as a super-cycle behavior with a period equal to many detonation wave rotational periods and is characterized by a periodic and structured ascending/descending sequence of the number, speed, and direction of both (primary) detonation and secondary waves. This phenomenon is likely a manifestation of the system failing in achieving operation with a higher number of detonation waves as length and/or mass flow rate are increased. The performance of the device is quantified in terms of measured thrust and pressure gain (through the use of the equivalent available pressure). Both metrics are essentially found to be invariant with respect to combustor length and most importantly, mode of operation. Surprisingly, even operation with complex wave dynamics arising from transitions between multiple competing wave systems does not appear to alter the overall global performance of the device but rather, it remains defined by the total (capture) air mass flow rate, equivalence ratio, and inlet/outlet areas.

33 ADVANCED PROPULSION SYSTEMS↗

Clues on the history of early-type galaxies from SDSS spectra and GALEX photometry

ABSTRACT Stellar population studies of early-type galaxies (ETGs) based on their optical stellar continuum suggest that these are quiescent systems. However, emission lines and ultraviolet photometry reveal a diverse population. We use a new version of the starlight spectral synthesis code and state-of-the-art stellar population models to simultaneously fit Sloan Digital Sky Survey spectra and Galaxy Evolution Explorer photometry for a sample of 3453 galaxies at z < 0.1 with near ultraviolet (NUV) − r > 5 that are classified as elliptical by Galaxy Zoo. We reproduce far ultraviolet (FUV) magnitudes for 80 per cent of UV upturn galaxies selected using criteria from the literature, suggesting that additional stellar population ingredients such as binaries and extreme horizontal branch stars may have a limited contribution to the UV upturn. The addition of ultraviolet data leads to a broadening of the distributions of mean stellar ages, metallicities, and attenuation. Stellar populations younger than $1\,$ Gyr are required to reproduce the ultraviolet emission in 17 per cent of our sample. These systems represent 43 per cent of the sample at 5 < NUV − r < 5.5 and span the same stellar mass range as other ETGs in our sample. ETGs with young stellar components have larger H α equivalent widths (WH α) and larger dust attenuation. Emission line ratios and WH α indicate that the ionizing source in these systems is a mixture of young and old stellar populations. Their young stellar populations are metal-poor, especially for high-mass galaxies, indicating recent star formation associated with rejuvenation events triggered by external processes, such as minor mergers.

Werle, A.↗

Equivalent equilibrium ion distributions in ion sources and beams

Ion sources and ion beams often contain ions of more than one charge-to-mass ratio, due to the presence of multiple ionization states and/or multiple atomic and molecular ion species in the source. We show that, under certain conditions, analysis of these systems can be simplified using the notion of “equivalent equilibrium ion distributions” (EEIDs). These distributions have identical ion trajectories, space-charge distributions, and electric-field distributions, but can be composed of ion species with arbitrary charge-to-mass ratios. We use this result to obtain multi-species generalizations for the perveance of an ion diode, which relates the diode voltage to the extracted beam current, and for the perveance of a drifting ion beam, which determines the axial length-scale for beam expansion due to the self-electric field. Applied to a quasi-neutral plasma ion source containing cold ions and hot electrons, we find that the location of the beam-plasma interface (meniscus), where ions are extracted from the plasma, depends on the electron density and ion energy per unit charge at the interface, independent of the ion composition. For certain types of numerical simulations, EEIDs allow one to calculate the beam optics of an intense multi-species ion source by doing a simulation for a single ion species with an artificial charge-to-mass ratio chosen to minimize computation time. We illustrate these results using the 3D particle-in-cell, finite-element code Aleph. The simulations show how ions in a plasma source self-consistently accelerate to the supersonic speed needed for steady, radially expanding flow. Multi-species equilibria are subject to streaming instabilities because, while the different species have the same kinetic energy per unit charge, their velocities scale with the square root of the charge-to-mass ratio. The simulations show that a strong ion streaming instability can occur in a multi-species plasma ion source.

74 ATOMIC AND MOLECULAR PHYSICS↗

ssys

`ssys` is a Python toolkit for exact algebraic transformation of ordinary differential equation (ODE) models into canonical S-system or Generalized Mass Action (GMA) form. Given a model in Antimony or SBML format, `ssys` produces a mathematically equivalent representation. The transformation introduces auxiliary variables as needed to decompose a broad class of nonlinearities into products of power-law terms. The recast is exact: the original and transformed systems have identical dynamics on the invariant constraint manifold defined by auxiliary variable definitions, given consistent initial conditions.

Hlavacek, William [Los Alamos National Laboratory]↗

Probing the low-temperature chemistry of methyl hexanoate: Insights from oxygenate intermediates

Understanding the combustion of methyl esters is crucial to elucidate kinetic pathways and predict combustion parameters, soot yields, and fuel performance of biodiesel, however most kinetic studies of methyl esters have focused on smaller, surrogate model esters. Methyl hexanoate is a larger methyl ester approaching the chain length of methyl esters found in biodiesel and has not received as much research attention as other smaller esters. The purpose of this work is to present the first atmospheric pressure combustion data of methyl hexanoate, CH 3 CH 2 CH 2 CH 2 CH 2 COOCH 3 . Mixtures of 2% methyl hexanoate in O 2 and N 2 are studied using a plug flow reactor at atmospheric pressure, wall temperatures from 573 to 973 K, residence times from roughly 1-2 s., and fuel equivalence ratios of 1, 1.5, and 2. Exhaust gases are analyzed by a gas chromatograph-mass spectrometer system and species mole fractions are presented. Here, the literature model shows satisfactory agreement with the experimental species profiles and improvements for future mechanistic studies are suggested. In particular, this work proposes new unimolecular decomposition pathways of methyl hexanoate to form methanol or methyl acetate. Furthermore, the experiment detected three unsaturated esters that are direct products of the low temperature oxidation chemistry and it provides more insight into branching ratios for the formation of methyl hexanoate radicals and for the decomposition of hydroperoxyalkyl radicals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Revealing the role of redox reaction selectivity and mass transfer in current–voltage predictions for ensembles of photocatalysts

Photocatalysts are conceptually simple reaction units where nanoscale semiconductors integrated with catalysts drive a pair of redox reactions on illumination. However, the proximity of reaction sites performing cathodic and anodic reactions poses dire challenges to realize large light-to-fuel conversion efficiencies. In this study, a powerful, yet straightforward, equivalent-circuit detail-balance modeling framework is developed and applied to evaluate the performance of photocatalytic systems featuring multiple light absorbers. Specifically, low bandgap iridium-doped strontium titanate is modeled as a Z-scheme photocatalyst to achieve desirable hydrogen evolution and iron-based redox shuttle oxidation reactions. Our model has unique capabilities to simulate competing redox reactions and address mass-transfer limitations. In a significant departure from state-of-the-art circuit models, our study develops tools to perform load-line analyses by incorporating a net electrochemical load curve that includes both desired and competing redox reactions. Consequently, reaction selectivity is predicted from equivalent circuit models for photocatalytic and photoelectrochemical systems. Our investigation into ensembles comprised of multiple, semi-transparent light absorbers reveals their potential to outperform a single, optically thick light absorber, particularly when operated under mass-transfer-limited conditions. However, this outcome hinges on minimizing mass-transfer rates of select redox species to prevent undesired reactions of hydrogen oxidation and/or redox shuttle reduction. Our findings demonstrate that reaction selectivity can be achieved by tuning asymmetry in redox species mass-transfer even with perfectly symmetric electrocatalytic charge-transfer coefficients. The influences of various kinetic, mass-transfer, and thermodynamic parameters are explored to offer crucial insights for synthesis of the next-generation of photocatalysts and selective coatings, and reactor designs.

25 ENERGY STORAGE↗

Exploring Changes in Quasar Spectral Energy Distributions across C IV Parameter Space

We examine the UV/X-ray properties of 1378 quasars in order to link empirical correlations to theoretical models of the physical mechanisms dominating quasars as a function of mass and accretion rate. The clarity of these correlations is improved when (1) using C IV broad emission line equivalent width (EQW) and blueshift (relative to systemic) values calculated from high signal-to-noise ratio reconstructions of optical/UV spectra and (2) removing quasars expected to be absorbed based on their UV/X-ray spectral slopes. In addition to using the traditional C IV parameter space measures of C IV EQW and blueshift, we define a "C IV ∥ distance" along a best-fit polynomial curve that incorporates information from both C IV parameters. We find that the C IV ∥ distance is linearly correlated with both the optical-to-X-ray slope, α ox , and broad-line He II EQW, which are known spectral energy distribution indicators, but does not require X-ray or high spectral resolution UV observations to compute. The C IV ∥ distance may be a better indicator of the mass-weighted accretion rate, parameterized by L/L Edd , than the C iv EQW or blueshift alone, as those relationships are known to break down at the extrema. Conversely, there is only a weak correlation with the X-ray energy index (Γ), an alternate L/L Edd indicator. We find no X-ray or optical trends in the direction perpendicular to the C IV distance that could be used to reveal differences in accretion disk, wind, or corona structure that could be widening the C IV EQW–blueshift distribution. A different parameter (such as metallicity) not traced by these data must come into play.

79 ASTRONOMY AND ASTROPHYSICS↗

Small to Full Height Scale Comparisons of Cesium Ion Exchange Performance with Crystalline Silicotitanate

The U.S. Department of Energy’s (DOE) Hanford Site houses 56 million gallons of high-level radioactive waste generated from plutonium production from 1944 to 1988. The supernatant waste, currently stored in underground tanks, is intended to be vitrified following filtration and 137 Cs removal at the Hanford Waste Treatment and Immobilization Plant (WTP) Low-Activity Waste (LAW) Vitrification Facility. The WTP Pretreatment Facility will not be operational for several years. The Tank Side Cesium Removal (TSCR) system is a technology demonstration that will remove cesium from tank waste supernate to support directly feeding LAW to the vitrification facility. The 137 Cs removal is important to meet the WTP LAW contract specification and ultimately for creating a contact-handled waste form. The waste acceptance criteria (WAC) limit for the WTP LAW Facility is <3.18E-5 Ci 137 Cs per mole Na. The TSCR system is skid mounted and employs two key technologies: dead end filtration for solids removal and ion exchange (IX) for cesium removal. Filtration is necessary to protect the functionality of the IX columns. The IX process utilizes sodium form crystalline silicotitanate (CST) IX media produced by UOP Honeywell, LLC (Des Plaines, IL) under the product name IONSIV R9140-B, 18 x 50 mesh, in a lead-lag-polish column configuration. Each column contains a CST bed height of 92 inches and a volume of approximately 157 gallons of CST IX media. The full-scale TSCR operation will run at a residence time of 1.9 bed volumes (BV)/h, which results in a superficial velocity of 7.3 cm/min and a flowrate of ~5 gal/min. Column testing at small (2.5% of the full bed height), medium (12% of the full bed height), and full-height scales has been previously conducted to evaluate process variables and scale up performance of Cs exchange onto the CST. Cesium load performances from various sieve cuts at the small scale indicated that a 30-mesh sieve cut be tested to determine if it better reflects the 12% and full-height column performances at the small scale. Two process flowrates were tested in the small-column configuration with <30-mesh CST and simulant solutions. These tests were compared to full-height column tests at the same residence times to assess CST particle size effect on column scaling. Table S.1 summarizes the observed column performance determined for the two flowrates juxtaposed to the previous work with 5.6 M Na simulant at higher scales (used as benchmarks). The WAC breakthroughs between the small and full-height tests at 1.3 BV/h differed by ~59 BVs. The WAC breakthroughs for small, medium, and full-height tests at 1.8 BV/h were consistent at 240 BVs. The 50% Cs breakthroughs were nominally equivalent for all column tests. The common transition zones and onsets of Cs breakthrough at the 1.8 BV/h tests indicated that the Cs mass transfers were equivalent and thus the <30-mesh CST Cs load performance at the small scale successfully modeled that of the full-height system. It is recommended that the <30-mesh CST be used in subsequent 10-mL CST bed tests.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Numerical and boundary condition effects on the prediction of detonation engine behavior using detailed numerical simulations

High-fidelity numerical simulations of an experimental rotating detonation engine with discrete fuel/air injection were conducted. A series of configurations with different feed-plenum pressures but with constant equivalence ratio were studied. Detailed chemical kinetics for the hydrogen/air system is used. A resolution study for the full rotating detonation engine (RDE) system simulation is also conducted. Two kinds of boundary conditions, a total pressure boundary and a constant mass flow rate boundary, are used to assess the effects of the inlet boundary. As mass flow rate is increased, the total pressure boundary causes more error in the axial pressure distribution while the constant mass flow rate gives a better solution for all cases ran. The simulations confirm experimental findings, and reproduce qualitative as well as some of the quantitative trends. These results demonstrate that a) fuel-air mixing is highly non-uniform within the detonation chamber, leading to variations in local equivalence ratio, b) the fuel and oxidizer injectors experience significant backflow as the detonation wave passes over, but recover at different rates which further augments the inefficiencies in mixing, and c) parasitic combustion in the mixing region makes the detonation wave weak by extending the reaction zone across the wave.

33 ADVANCED PROPULSION SYSTEMS↗

Design of an Online Electrochemical Mass Spectrometry System to Study Gas Evolution from Cells with Lean and Volatile Electrolytes

Gas evolution in high-energy Li-ion batteries remains a pervasive problem for a multitude of chemistries, jeopardizing the electrochemical performance and safety for consumers of electric vehicles. Many electrode–electrolyte degradation processes evolve gasses that may be detected in-situ with online electrochemical mass spectrometry (OEMS). In this work, details are provided for the setup and validation of an OEMS system that operates well under lean and volatile electrolyte conditions. Quite notably, the OEMS cells with only 40 µL of electrolyte and intermittent headspace sampling exhibit comparable electrochemical performance to flooded coin-cells. It is demonstrated that the onset time, shape, and magnitude of the gas evolution profiles calculated from mass spectrometer measurements match well to a known pressure reference through the use of an empirically determined fraction of removal. The off-gassing characteristics from a set of layered-oxide materials, NMC532, NMC811, and LNO, are used to further validate the OEMS setup against the literature. It is shown that many of the features present in the OEMS curves for equivalent systems from other groups are captured by this OEMS system. Finally, at an upper cut-off voltage of 4.4 V, LNO exhibits an intense release of CO 2 , O 2 , and CO gas relative to NMC532 and NMC811.

25 ENERGY STORAGE↗

NSRD-20, Functional Testing of Novel MTC HEPA Filtration Media

To improve the safety of Department of Energy (DOE) nuclear facilities, this project aimed to develop ceramic high efficiency particulate air (HEPA) filters that also create a low pressure-drop (dP) in use. The filters under consideration use mini-tubular ceramic (MTC) HEPA filtration media made with different architectures. Once successful, this project will reduce life-cycle costs, including safety basis, operational, and waste-disposal costs. The technology’s mini-tubular geometry is known to reduce dP when compared to flow through membranes of equivalent mass and surface area. Low dP facilitates retrofitting advanced filters into existing DOE facilities to make them safer while simultaneously reducing operational costs. Operations of ventilation systems are a key cost driver for DOE nuclear facilities; reducing dP can significantly reduce DOE’s operational costs. However, the filtration efficiency (FE) of this type of filtration media depends on the architecture of the filter media in an unknown way and requires testing. Functional testing of filtration media with different architectures will establish the performance of the filtration media and will enable development of guidance on design requirements to optimize filter performance.

36 MATERIALS SCIENCE↗

TIC 278956474: Two Close Binaries in One Young Quadruple System Identified by TESS

We have identified a quadruple system with two close eclipsing binaries in Transiting Exoplanet Survey Satellite (TESS) data. The object is unresolved in Gaia and appears as a single source at parallax 1.08 ± 0.01 mas. Both binaries have observable primary and secondary eclipses and were monitored throughout TESS Cycle 1 (sectors 1–13), falling within the TESS Continuous Viewing Zone. In one eclipsing binary (P = 5.488 days), the smaller star is completely occluded by the larger star during the secondary eclipse; in the other (P = 5.674 days) both eclipses are grazing. Using these data, spectroscopy, speckle photometry, spectral energy distribution analysis, and evolutionary stellar tracks, we have constrained the masses and radii of the four stars in the two eclipsing binaries. The Li i equivalent width indicates an age of 10–50 Myr and, with an outer period of 858{sub −5}{sup +7} days, our analysis indicates this is one of the most compact young 2 + 2 quadruple systems known.

79 ASTRONOMY AND ASTROPHYSICS↗

Rapid evolution of aerosol particles and their optical properties downwind of wildfires in the western US

Abstract. During the first phase of the Biomass Burn Operational Project (BBOP) field campaign, conducted in the Pacific Northwest, the DOE G-1 aircraft was used to follow the time evolution of wildfire smoke from near the point of emission to locations 2–3.5 h downwind. In nine flights we made repeated transects of wildfire plumes at varying downwind distances and could thereby follow the plume's time evolution. On average there was little change in dilution-normalized aerosol mass concentration as a function of downwind distance. This consistency hides a dynamic system in which primary aerosol particles are evaporating and secondary ones condensing. Organic aerosol is oxidized as a result. On all transects more than 90 % of aerosol is organic. In freshly emitted smoke aerosol, NH4+ is approximately equivalent to NO3. After 2 h of daytime aging, NH4+ increased and is approximately equivalent to the sum of Cl, SO42, and NO3. Particle size increased with downwind distance, causing particles to be more efficient scatters. Averaged over nine flights, mass scattering efficiency (MSE) increased in ∼ 2 h by 56 % and doubled in one flight. Mechanisms for redistributing mass from small to large particles are discussed. Coagulation is effective at moving aerosol from the Aitken to accumulation modes but yields only a minor increase in MSE. As absorption remained nearly constant with age, the time evolution of single scatter albedo was controlled by age-dependent scattering. Near-fire aerosol had a single scatter albedo (SSA) of 0.8–0.9. After 1 to 2 h of aging SSAs were typically 0.9 and greater. Assuming global-average surface and atmospheric conditions, the observed age dependence in SSA would change the direct radiative effect of a wildfire plume from near zero near the fire to a cooling effect downwind.

54 ENVIRONMENTAL SCIENCES↗