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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 253 records · Page 14

The potential impact on atmospheric ozone and temperature of increasing trace gas concentrations

The response of the atmosphere to emissions of chlorofluorocarbons (CFCs) and other chlorocarbons, and to increasing concentrations of other radiatively active trace gases such as CO2, CH4, and N2O is calculated by a coupled chemical-radiative transport one-dimensional model. It is shown that significant reductions in the ozone concentration and in the temperature are expected in the upper stratosphere as a result of increasing concentrations of active chlorine produced by photodecomposition of the CFCs. The ozone content is expected to increase in the troposphere, as a consequence of increasing concentrations of methane and nitrogen oxides. Due to enhanced greenhouse effects, the Earth's surface should warm up by several degrees. The amplitude and even the sign of future changes in the ozone column are difficult to predict as they are strongly scenario-dependent. An early detection system to prevent noticeable ozone changes as a result of increasing concentrations of source gases should thus be based on a continuous monitoring of the ozone amount in the upper stratosphere rather than on measurements of the ozone column only. Measurements of NOx, Clx, and HOx are also required for unambiguous trend detection and interpretation.

Brasseur, G.↗

Antarctic ozone hole - Possible implications for ozone trends in the Southern Hemisphere

Satellite-borne instruments (the Total Ozone Mapping Spectrometer and the Solar Backscattered Ultraviolet Instrument) show that, compared to 1979, total column ozone has a year-round decrease of more than 5 percent in the neighborhood of 60 deg S. The meteorological conditions (warmer temperatures, the absence of polar stratospheric clouds) at these latitudes do not seem to favor heterogeneous chemistry as the direct cause for the observed year-round ozone reduction. A mechanism involving the seasonal transport of ozone-poor air from within the polar vortex to lower latitudes (the so-called 'dilution effect') is proposed as a possible explanation for the observed year-round ozone reduction in subpolar regions. A two-dimensional model with an imposed springtime Antarctic ozone depletion is used to study the post-ozone hole impact on the spatial and temporal distributions of column ozone at latitudes north of 60 deg S. It is found that the time constant associated with the dilution effect in the latitude region 40-60 deg S is about 1 year, long enough to contribute to the observed year-round decrease of total ozone in that region.

Sze, N. D.↗

Effects of Fineness Ratio and Reynolds Number on the Low-Speed Crosswind Drag Characteristics of Circular and Modified-Square Cylinders

A wind-tunnel investigation has been made on modified-square and circular cylinders to determine the effects of fineness ratio and Reynolds numbers on the crosswind drag characteristics. Fineness ratios from 2 to 14 were investigated over a Reynolds number range from approximately 300,000 to 1,650,000 which corresponded to Mach numbers from 0.057 to 0.377.The result of the investigation show that at supercraft Reynolds numbers the drag coefficient of the circular cylinder increases with increasing Reynolds number for all fineness ratios but at low fineness ratios this effect is considerably less than at higher fineness ratios. For circular cylinders in the high fineness-ratio range there is a reduction in drag as the fineness ratio is decreased except for Reynolds numbers of 900,000 and 1,000,000, whereas at low fineness ratios the opposite trend generally occurs. The addition of hemispherical ends to the circular cylinder gave a substantial decrease in drag at a fineness ratio of 3.27 but the effect was negligible at fineness ratios of 5.27 and 10. The finite-length modified-square cylinder gave the reduction in drag over the two-dimensional modified-square cylinder for the complete range of test Reynolds numbers with the lowest fineness ratio giving the lowest drag at Reynolds numbers above 3O0,OOO.

McKinney, Linwood W.↗

Small Engine Technology (SET) - Task 4, Regional Turboprop/Turbofan Engine Advanced Combustor Study

Under the SET Program Task 4 - Regional Turboprop/Turbofan Engine Advanced Combustor Study, a total of ten low-emissions combustion system concepts were evaluated analytically for three different gas turbine engine geometries and three different levels of oxides of nitrogen (NOx) reduction technology, using an existing AlliedSignal three-dimensional (3-D) Computational Fluid Dynamics (CFD) code to predict Landing and Takeoff (LTO) engine cycle emission values. A list of potential Barrier Technologies to the successful implementation of these low-NOx combustor designs was created and assessed. A trade study was performed that ranked each of the ten study configurations on the basis of a number of manufacturing and durability factors, in addition to emissions levels. The results of the trade study identified three basic NOx-emissions reduction concepts that could be incorporated in proposed follow-on combustor technology development programs aimed at demonstrating low-NOx combustor hardware. These concepts are: high-flow swirlers and primary orifices, fuel-preparation cans, and double-dome swirlers.

Reynolds, Robert↗

Reduction of Large Dynamical Systems by Minimization of Evolution Rate

Reduction of a large system of equations to a lower-dimensional system of similar dynamics is investigated. For dynamical systems with disparate timescales, a criterion for determining redundant dimensions and a general reduction method based on the minimization of evolution rate are proposed.

Girimaji, Sharath S.↗

Dynamic population balance in molecular-level simulations of hypersonic flows

This report summarizes the work towards developing stochastic weighted particle methods (SWPM) for future application in hypersonic flows. Extensive changes to Sandia’s direct simulation Monte Carlo (DSMC) solver, SPARTA (Stochastic Particle Real Time Analyzer), were made to enable the necessary particle splitting and reduction capabilities for SWPM. The results from one-dimensional Couette and Fourier flows suggest that SWPM can reproduce the correct transport for a large range of Knudsen numbers with adequate accuracy. The associated velocity and temperature profiles are in good agreement with DSMC. An issue with particle placement during particle number reduction, is identified, to which, a simple but effective solution based on minimizing the center of mass error is proposed. High Mach wheel flows are simulated using the SWPM and DSMC methods. SWPM is capable of providing nearly an order of magnitude increase in efficiency over DSMC while retaining high accuracy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

An Eulerian/Lagrangian coupling procedure for three-dimensional vortical flows

A coupled Eulerian/Lagrangian method is presented for the reduction of numerical diffusion observed in solutions of 3D vortical flows using standard Eulerian finite-volume time-marching procedures. A Lagrangian particle tracking method, added to the Eulerian time-marching procedure, provides a correction of the Eulerian solution. In turn, the Eulerian solution is used to integrate the Lagrangian state-vector along the particles trajectories. While the Eulerian solution ensures the conservation of mass and sets the pressure field, the particle markers describe accurately the convection properties and enhance the vorticity and entropy capturing capabilities of the Eulerian solver. The Eulerian/Lagrangian coupling strategies are discussed and the combined scheme is tested on a constant stagnation pressure flow in a 90 deg bend and on a swirling pipe flow. As the numerical diffusion is reduced when using the Lagrangian correction, a vorticity gradient augmentation is identified as a basic problem of this inviscid calculation.

Felici, Helene M.↗

Efficient solution methods for the Navier-Stokes equations

Implicit finite difference schemes for solving two-dimensional and three-dimensional Euler and thin layer Navier-Stokes equations are addressed. The methods are demonstrated in fully vectorized codes for a Cray type architecture. The Beam and Warming implicit approximate factorization algorithm in generalized coordinates is used. The methods are either time accurate or accelerated non-time accurate steady state schemes. Acceleration and efficiency modifications such as matrix reduction, diagonalization, and flux split schemes are presented. Two dimensional inviscid and viscous calculations (e.g., airfoils with a deflected spoiler, circulation control airfoils, and unsteady buffeting) and of three dimensional viscous elliptical bodies, exhausting boattails, and generic oblique wing computations are discussed.

Pulliam, T. H.↗

Atomic-scale identification of active sites of oxygen reduction nanocatalysts

Heterogeneous nanocatalysts play a crucial role in both the chemical and energy industries. Despite substantial advancements in theoretical, computational and experimental studies, identifying their active sites remains a major challenge. Here we utilize atomic electron tomography to determine the three-dimensional atomic structure of PtNi and Mo-doped PtNi nanocatalysts for the electrochemical oxygen reduction reaction. We then employ the experimental atomic structures as input to first-principles-trained machine learning to identify the active sites of the nanocatalysts. Through the analysis of the structure–activity relationships, we formulate an equation termed the local environment descriptor, which balances the strain and ligand effects to provide physical and chemical insights into active sites in the oxygen reduction reaction. The ability to determine the three-dimensional atomic structure and chemical composition of realistic nanoparticles, combined with machine learning, could transform our fundamental understanding of the active sites of catalysts and guide the rational design of optimal nanocatalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Renormalization of states and quasiparticles in many-body downfolding

We explore the principles of many-body Hamiltonian complexity reduction via downfolding on an effective low-dimensional representation. We show that the renormalization factor provides a unique measure of the quality of the compression as it directly represents the projection between the approximate stationary state of the many-body Hamiltonian and the full many-body wavefunction. Hence, the renormalization factor is a measure of fidelity between the effective (reduced-rank) description and the full many-body treatment for arbitrary (i.e., ground and excited) states. When the entire problem is mapped on a system of interacting quasiparticles [Romanova et al., npj Comput. Mater. 9, 126 (2023)], the effective Hamiltonians can faithfully reproduce the physics only when a clear energy scale separation exists between the subsystems and their environment. We also demonstrate that it is necessary to include quasiparticle renormalization at distinct energy scales, capturing the distinct interaction between subsystems and their surrounding environments. Numerical results from simple, exactly solvable models highlight the limitations and strengths of this approach, particularly for ground and low-lying excited states. This work lays the groundwork for applying dynamical downfolding techniques to problems concerned with (quantum) interfaces.

Green-functions technique↗

Aerodynamic interaction between vortical wakes and the viscous flow about a circular cylinder

In the design analysis of conventional aircraft configurations, the prediction of the strong interaction between vortical wakes and the viscous flow field about bodies is of considerable importance. Interactions between vortical wakes and aircraft components are even more common on rotorcraft and configurations with lifting surfaces forward of the wing. An accurate analysis of the vortex-wake interaction with aircraft components is needed for the optimization of the payload and the reduction of vibratory loads. However, the three-dimensional flow field beneath the rotor disk and the interaction of the rotor wake with solid bodies in the flow field are highly complex. The present paper has the objective to provide a basis for the considered interactions by studying a simpler problem. This problem involves the two-dimensional interaction of external wakes with the viscous flow about a circular cylinder.

Stremel, P. M.↗

Numerical simulation of unsteady flow in a hypersonic shock tunnel facility

This paper describes the computational work performed on the simulation of a 16-in shock-tunnel facility. The numerical problems encountered during the computation of these flows are discussed along with the validity of some approximations used, notably concerning the reduction of the problem into problems of smaller dimensionality. Quasi-1D simulations can be used to help design experiments, or to better understanding the characteristics of the facility. An application to the design of a nonintrusive diagnostic is shown. The multidimensional flow transients computed include the shock reflection at the end of the driven tube, the shock propagation down the nozzle, and the breaking of the main diaphragm.

Cambier, Jean-Luc↗

Deep Neural Network Based Unsteady Flamelet Progress Variable Approach in a Supersonic Combustor

Higher dimensional flamelet manifolds are essential in capturing the coupled effects of pressure gradients and unsteady chemical kinetics observed in supersonic combustion applications. Previous studies have validated the feasibility of using deep neural networks as an alternative to computation-ally intensive multidimensional flamelet table storage and lookup. This approach has demonstrated a significant reduction in memory footprint and enabled the use of larger dimensional tabulated manifolds for supersonic combustion in canonical problems. In this study, the Unsteady Flamelet Progress Variable (UFPV)-ANN model implemented in the VULCAN-CFD code is validated by the Burrows-Kurkov supersonic mixing/combustion configuration. The well characterized experimental problem consists of hydrogen injection into a supersonic vitiated crossflow that results in a lifted flame structure. The initial model consists of a 4-dimensional table where the independent variables Z, C, Xst, P are tabulated using an unsteady flamelet code with boundary conditions corresponding to the vitiated air conditions. The results show the development of a lifted flame structure and over-all acceptable agreement with finite-rate chemistry (FRC) simulation and the experimental data. Moreover, direct mapping between the independent variables and the flamelet table is replaced by a deep neural network for significant memory reduction. The results indicate that the UFPV-ANN approach can retrieve the same solution as the memory intensive lookup table approach.

Flamelet↗

Finite-dimensional approximation for optimal fixed-order compensation of distributed parameter systems

In controlling distributed parameter systems it is often desirable to obtain low-order, finite-dimensional controllers in order to minimize real-time computational requirements. Standard approaches to this problem employ model/controller reduction techniques in conjunction with LQG theory. In this paper we consider the finite-dimensional approximation of the infinite-dimensional Bernstein/Hyland optimal projection theory. This approach yields fixed-finite-order controllers which are optimal with respect to high-order, approximating, finite-dimensional plant models. The technique is illustrated by computing a sequence of first-order controllers for one-dimensional, single-input/single-output, parabolic (heat/diffusion) and hereditary systems using spline-based, Ritz-Galerkin, finite element approximation. Numerical studies indicate convergence of the feedback gains with less than 2 percent performance degradation over full-order LQG controllers for the parabolic system and 10 percent degradation for the hereditary system.

Bernstein, Dennis S.↗

Cryogenic Gear System for ADMX Tuning Cavity

The Axion Dark Matter Experiment (ADMX) searches for axions by converting them into detectable photons using resonant microwave cavities at cryogenic temperatures. A precise tuning system is needed to adjust cavity frequency without adding thermal load or electromagnetic interference. This project developed and tested a 1000 to 1 gear reduction system made from PEEK, a low thermal conductivity plastic with good dimensional stability and self lubrication at low temperatures. A compound gear train design of five 3 to 1 stages and one 4 to 1 stage achieves high reduction within a 40 mm diameter compact housing. Prototypes were 3D printed and later CNC machined in PEEK using Fusion 360 and Bantam Tools to confirm manufacturability. Prototype testing showed smooth gear engagement and no slipping. The final gearbox improves cavity tuning precision for axion searches while protecting cryogenic conditions.

Ortega, Giancarlo [Marquette U.]↗

Direct drag and hot-wire measurements on thin-element riblet arrays

An experimental study of stream wise, near-wall, thin-element riblet arrays under a turbulent boundary layer has been conducted in low-speed air. Hot-wire data show that a single, isolated thin-element riblet causes formation of counter-rotating vortex-pairs with a spanwise wavelength of 130 viscous lengths. Abrupt shifts in turbulence intensity magnitude and peak location are observed for streamwise riblet arrays as spanwise riblet spacing is varied. Direct drag measurements show net drag reduction (up to 8.5 percent) over a wide range of riblet spacings along with behavior at discrete non-dimensional spacings indicative of vortex activity. Overall, the data suggest that more than one drag reduction mechanism may be involved.

Wilkinson, S. P.↗

Intracellular Biomacromolecule Delivery by Stimuli-Responsive Protein Vesicles Loaded by Hydrophobic Ion Pairing

Proteins can perform ideal therapeutic functions. However, their large size and significant surface hydrophilicity and charge prohibit them from reaching intracellular targets. These chemical features also render them poorly encapsulated by nanoparticles used for intracellular delivery. In this work, a novel combination of protein vesicles and hydrophobic ion pairing (HIP) was used to load protein cargo and achieve cytosolic delivery to overcome the limitations of previous protein vesicle properties. Protein vesicles are thermally self-assembling nanoparticles made from elastin-like polypeptide (ELP) fused to an arginine-rich leucine zipper and a globular protein fused to a glutamate-rich leucine zipper. To impart stimuli-responsive disassembly, physiological stability, and small size, the ELP sequence was modified to include histidine and tyrosine residues. HIP was used to load and release protein cargo requiring endosomal escape for cytosolic function. HIP vesicles enabled delivery of cytochrome c, a cytosolically active protein, and a significant reduction in viability in both a traditional two-dimensional (2D) human cancer cell line culture and a biomimetic three-dimensional (3D) organoid model of acute myeloid leukemia. By examining the uptake of positively and negatively charged fluorescent protein cargos loaded by HIP, this work revealed the necessity of HIP for cytosolic cargo delivery and how HIP loading influences protein vesicle self-assembly and disassembly using microscopy, small-angle X-ray scattering, and nanoparticle tracking analysis. HIP protein vesicles have the potential to broaden the use of intracellular proteins as therapeutics for various diseases and extend protein vesicles to deliver other biomacromolecules, as the strategy developed here resulted in the first cytosolic protein cargo delivery using protein vesicles.

59 BASIC BIOLOGICAL SCIENCES↗