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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
NASA NTRS1972

Results of a study of Mach number and Reynolds number effects on the lee side vortex flow field characteristics of an ogive-cylinder-frustum-cylinder at angles of attack to 25 degrees, volume 1

An experimental program was conducted to survey the lee side vortex flow field about an ogive-cylinder-frustum-cylinder at angles of attack to 25 degrees for two Reynolds numbers at Mach number 0.8, and one Reynolds number at Mach number 1.96. The data were obtained using miniature 5-port conical pressure probes calibrated for angle of attack and roll angle over a Mach number range of 0.6 to 3.0. The results are presented here as local flow field properties and circulation strengths for various body stations.

Foley, J. E.↗
NASA NTRS1982

Physical and mathematical modelling of ladle metallurgy operations

Experimental measurements are reported, on the velocity fields and turbulence parameters on a water model of an argon stirred ladle. These velocity measurements are complemented by direct heat transfer measurements, obtained by studying the rate at which ice rods immersed into the system melt, at various locations. The theoretical work undertaken involved the use of the turbulence Navier-Stokes equations in conjunction with the kappa-epsilon model to predict the local velocity fields and the maps of the turbulence parameters. Theoretical predictions were in reasonably good agreement with the experimentally measured velocity fields; the agreement between the predicted and the measured turbulence parameters was less perfect, but still satisfactory. The implications of these findings to the modelling of ladle metallurgical operations are discussed.

El-Kaddah, N.↗
NASA NTRS1993

A transport equation for the scalar dissipation in reacting flows with variable density: First results

Although the different regimes of premixed combustion are not well defined, most of the recent developments in turbulent combustion modeling are led in the so-called flamelet regime. The goal of these models is to give a realistic expression to the mean reaction rate (w). Several methods can be used to estimate (w). Bray and coworkers (Libby & Bray 1980, Bray 1985, Bray & Libby 1986) express the instantaneous reaction rate by means of a flamelet library and a frequency which describes the local interaction between the laminar flamelets and the turbulent flowfield. In another way, the mean reaction rate can be directly connected to the flame surface density (Sigma). This quantity can be given by the transport equation of the coherent flame model initially proposed by Marble & Broadwell 1977 and developed elsewhere. The mean reaction rate, (w), can also be estimated thanks to the evolution of an arbitrary scalar field G(x, t) = G(sub O) which represents the flame sheet. G(x, t) is obtained from the G-equation proposed by Williams 1985, Kerstein et al. 1988 and Peters 1993. Another possibility proposed in a recent study by Mantel & Borghi 1991, where a transport equation for the mean dissipation rate (epsilon(sub c)) of the progress variable c is used to determine (w). In their model, Mantel & Borghi 1991 considered a medium with constant density and constant diffusivity in the determination of the transport equation for (epsilon(sub c)). A comparison of different flamelet models made by Duclos et al. 1993 shows the realistic behavior of this model even in the case of constant density. Our objective in this present report is to present preliminary results on the study of this equation in the case of variable density and variable diffusivity. Assumptions of constant pressure and a Lewis number equal to unity allow us to significantly simplify the equation. A systematic order of magnitude analysis based on adequate scale relations is performed on each term of the equation. As in the case of constant density and constant diffusivity, the effects of stretching of the scalar field by the turbulent strain field, of local curvature, and of chemical reactions are predominant. In this preliminary work, we suggest closure models for certain terms, which will be validated after comparisons with DNS data.

Mantel, T.↗
DOE OSTI2023

Quantifying the Relevance of Long-Range Forces for Crystal Nucleation in Water

Understanding nucleation from aqueous solutions is of fundamental importance in a multitude of fields, ranging from materials science to biophysics. The complex solvent-mediated interactions in aqueous solutions hamper the development of a simple physical picture, elucidating the roles of different interactions in nucleation processes. In this study, we make use of three complementary techniques to disentangle the role played by short- and long-range interactions in solvent-mediated nucleation. Specifically, the first approach we utilize is the local molecular field (LMF) theory to renormalize long-range Coulomb electrostatics. Second, we use well-tempered metadynamics to speed up rare events governed by short-range interactions. Third, the deep learning-based State Predictive Information Bottleneck approach is employed in analyzing the reaction coordinate of the nucleation processes obtained from the LMF treatment coupled with well-tempered metadynamics. We find that the two-step nucleation mechanism can largely be captured by the short-range interactions, while the long-range interactions further contribute to the stability of the primary crystal state under ambient conditions. Furthermore, by analyzing the reaction coordinate obtained from the combined LMF-metadynamics treatment, we discern the fluctuations on different time scales, highlighting the need for long-range interactions when accounting for metastability.

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

Super-Eddington radiation transfer in soft gamma repeaters

Bursts from soft gamma repeaters (SGRs) have been shown to be super-Eddington by a factor of 1000 and have been persuasively associated with compact objects. Super-Eddington radiation transfer on the surface of a strongly magnetic (greater than or equal to 10(exp 13) G) neutron star is studied and related to the observational constraints on SGRs. In strong magnetic fields, Thompson scattering is suppressed in one polarization state, so super-Eddington fluxes can be radiated while the plasma remains in hydrostatic equilibrium. We discuss a model which offers a somewhat natural explanation for the observation that the energy spectra of bursts with varying intensity are similar. The radiation produced is found to be linearly polarized to one part in 1000 in a direction determined by the local magnetic field, and intensity variations between bursts are understood as a change in the radiating area on the source. The net polarization is inversely correlated with burst intensity. Further, it is shown that for radiation transfer calculations in limit of superstrong magnetic fields, it is sufficient to solve the radiation transfer for the low opacity state rather than the coupled equations for both. With this approximation, standard stellar atmosphere techniques are utilized to calculate the model energy spectrum.

Ulmer, Andrew↗
NASA NTRS1987

A theory for low-frequency waves observed at comet Giacobini-Zinner

As the ICE spacecraft approached comet Giacobini-Zinner, low-frequency waves in two frequency ranges were observed in the magnetic field data. Under certain conditions, a gyrating beam of water group ions is capable of generating electromagnetic waves with periods near 100 s (in the spacecraft frame of reference) and shorter-period whistler branch waves with periods near 3 s. The 100-s wave can arise from either a nonresonant firehose instability or a resonant beam driven instability so long as the angle between the directions of the local magnetic field and solar wind velocity is less than 90 percent. Whenever that angle exceeds about 30 percent, the gyrating ring distribution formed by newly ionized water is also unstable to the generation of whistler waves with 3-s periods.

Goldstein, M. L.↗
NASA NTRS1972

The induced magnetic field of the moon - Conductivity profiles and inferred temperature.

Electromagnetic induction in the moon driven by fluctuations of the interplanetary magnetic field is used to determine the lunar bulk electrical conductivity. The earlier data are now augmented by an order of magnitude. The present data clearly show the north-south and east-west transfer function difference as well as the high-frequency rollover suggested earlier. The difference is shown to be compatible over the midfrequency range (0.001 to 0.01 Hz) with a noise source associated with the compression of the local remanent field by solar wind dynamic pressure fluctuations. The rollover of the transfer functions is shown to result from higher order magnetic multipole radiation; electric multipoles appear supressed, although a vestigial TM interaction may still be present. Models for two, three, and four layer; current layer, double current layer, and core plus current layer moons are generated by inversion of the data, using a theory that incorporates higher-order multipoles.

Sonett, C. P.↗
NASA NTRS1982

Plasma wave experiment for the ISEE-3 mission

Results of analyses of data received from a scientific instrument designed to study solar wind and plasma wave phenomena on the ISEE-3 mission are discussed in two papers prepared for publication. A study of plasma wave levels in and interplanetary magnetic field orientation preceding observations of interplanetary shocks by the satellite infers that quasi-parallel, interplanetary shocks are preceded by foreshocks whose presence is not obviously attributable to scattering of ion beams generated at quasi-perpendicular zones of these interplanetary shocks. Investigations of whistler mode turbulence in the disturbed solar wind resulted in various indirect lines of evidence indicating that these whistler waves are generated propagating at large angles to the local interplanetary field, a fact which helps identify possible free energy sources for their growth.

Scarf, F. L.↗
NASA NTRS2012

Investigation of Turbulent Tip Leakage Vortex in an Axial Water Jet Pump with Large Eddy Simulation

Detailed steady and unsteady numerical studies were performed to investigate tip clearance flow in an axial water jet pump. The primary objective is to understand physics of unsteady tip clearance flow, unsteady tip leakage vortex, and cavitation inception in an axial water jet pump. Steady pressure field and resulting steady tip leakage vortex from a steady flow analysis do not seem to explain measured cavitation inception correctly. The measured flow field near the tip is unsteady and measured cavitation inception is highly transient. Flow visualization with cavitation bubbles shows that the leakage vortex is oscillating significantly and many intermittent vortex ropes are present between the suction side of the blade and the tip leakage core vortex. Although the flow field is highly transient, the overall flow structure is stable and a characteristic frequency seems to exist. To capture relevant flow physics as much as possible, a Reynolds-averaged Navier-Stokes (RANS) calculation and a Large Eddy Simulation (LES) were applied for the current investigation. The present study reveals that several vortices from the tip leakage vortex system cross the tip gap of the adjacent blade periodically. Sudden changes in local pressure field inside tip gap due to these vortices create vortex ropes. The instantaneous pressure filed inside the tip gap is drastically different from that of the steady flow simulation. Unsteady flow simulation which can calculate unsteady vortex motion is necessary to calculate cavitation inception accurately even at design flow condition in such a water jet pump.

Hah, Chunill↗
NASA NTRS1985

The infall velocity toward Virgo, the Hubble constant, and a search for motion toward the microwave background

The perturbation of the local velocity field due to the overdensity of the Virgo complex (VC) is investigated theoretically, using an idealized spherically symmetric Virgocentric flow model and testing for a correlation between cos theta (where theta is the angle from the VC direction to eight groups and clusters with velocity 800-2500 km/s) and the relevant velocity residuals. The data and results are presented in extensive tables, graphs, and a map in extragalactic coordinates. The infall of the Local Group (LG) toward the VC is estimated as 200 + or - 50 km/s, corresponding to a mean mass/light ratio M/L(B) = about 70 for a sphere centered at the VC core and extending to the LG. The rate of free expansion within the VC is estimated as 52 + or 2 km/s Mpc for a VC distance of 21.6 Mpc. It is pointed out that the LG infall toward the VC cannot account for observations of an apparent 630-km/s motion of the LG toward the microwave background.

Tammann, G. A.↗
DOE OSTI2024

Understanding Formation of Irradiation-Induced Defects through 4D-STEM, Electron Tomography, and WBDF-STEM

A major challenge in advancing nuclear materials for next-generation fission and proposed fusion reactors is to comprehensively understand the formation of irradiation-induced defects. Here it is essential to correlate the evolution of irradiation-induced defects and the degradation of mechanical properties, as they collectively dictate the material's lifespan and ensure nuclear safety. Scanning transmission electron microscopy (STEM) based techniques have emerged as indispensable tools for irradiation-induced defect characterization, offering high spatial resolution imaging and chemical analysis, such as electron energy loss spectroscopy (EELS) and energy dispersive X-ray spectroscopy (EDXS). These techniques have been effectively used to obtain an atomic-scale view of the defect structure. Recent advances in electron microscopy, particularly in 4D-STEM, offer detailed insight into microstructural evolution by capturing full 2D diffraction patterns at every pixel position. Using high-speed direct electron detectors, this technology generates a four-dimensional dataset, overcoming the limitations of traditional STEM imaging.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Design Principles in Engineering of Multigrain Nanocatalysts via Multiscale Electronic Structure Characterization

Engineering grain boundary (GB) strain provides a promising pathway to tune the catalytic properties of nanocrystals. However, structural heterogeneity from random grain orientation and geometry has limited clear structure–property correlations. Here, we utilize a multigrain Co3O4/Mn3O4 core/shell nanocrystal platform as a model system to systematically investigate how geometric misfit strain at GBs serves as catalytically active sites for the oxygen reduction reaction. Through precise subnanometer-level control over grain morphology and by integrating multiscale electronic structure characterization, we identify the electronic structural signature of GB defects and establish a direct correlation between localized strain fields and modified electronic states. Strain modulation at GBs alters the eg orbital energy levels, with elongation along the z-axis combined with shear strain stabilizing the eg states, in contrast to the destabilization observed under pure shear strain. This stabilization mechanism enhances the electrocatalytic activity and selectivity of strained GBs compared with strain-relaxed grain surfaces. Furthermore, we reveal that GBs exhibit a radial strain gradient, producing a spatial energy shift that further modulates local electronic structures, as resolved through the classification of electron energy loss spectroscopy data. Together, these findings demonstrate that geometric misfit strain enables precise tuning of grain geometry and the resulting electronic structures, offering a robust strategy for engineering next-generation nanocatalysts.

Cho, Min Gee↗
DOE OSTI2024

Mapping domain structures near a grain boundary in a lead zirconate titanate ferroelectric film using X-ray nanodiffraction

The effect of an electric field on local domain structure near a 24° tilt grain boundary in a 200 nm-thick Pb(Zr 0.2 Ti 0.8 )O 3 bi-crystal ferroelectric film was probed using synchrotron nanodiffraction. The bi-crystal film was grown epitaxially on SrRuO 3 -coated (001) SrTiO 3 24° tilt bi-crystal substrates. From the nanodiffraction data, real-space maps of the ferroelectric domain structure around the grain boundary prior to and during application of a 200 kV cm −1 electric field were reconstructed. In the vicinity of the tilt grain boundary, the distributions of densities of c -type tetragonal domains with the c axis aligned with the film normal were calculated on the basis of diffracted intensity ratios of c - and a -type domains and reference powder diffraction data. Diffracted intensity was averaged along the grain boundary, and it was shown that the density of c -type tetragonal domains dropped to ∼50% of that of the bulk of the film over a range ±150 nm from the grain boundary. This work complements previous results acquired by band excitation piezoresponse force microscopy, suggesting that reduced nonlinear piezoelectric response around grain boundaries may be related to the change in domain structure, as well as to the possibility of increased pinning of domain wall motion. The implications of the results and analysis in terms of understanding the role of grain boundaries in affecting the nonlinear piezoelectric and dielectric responses of ferroelectric materials are discussed.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Magnetic flux tubes as sources of wave generation

The structure of solar, and very likely stellar, surface magnetic fields is highly inhomogeneous: at the photospheric level, the fields are locally strong, and show concentration into a flux tube structure. In this case, the wave energy generated in stellar convection zones may be largely carried away by flux tube waves, which can then become important sources for the heating of the outer atmospheric layers. Such flux tube wave generation may help to explain the UV and X-ray fluxes observed by the IUE and Einstein observatories. The generation of longitudinal tube waves in magnetic flux tubes embedded in an otherwise magnetic field-free, turbulent, and stratified medium was considered. It is shown that compressible tube waves are generated by dipole emission and that the generation efficiency is a strong function of the magnetic field strength. Energy flux calculations are presented for different magnetic flux tubes, and show how the results depend on the magnetic field strength and the characteristics of the convective turbulence.

Musielak, Z. E.↗
NASA NTRS1996

Consequences of centrifugally-driven phase bunching in the near-earth magnetotail

The dynamics of the plasma sheet ions in the near-earth magnetotail where the Larmor radii are comparable to the magnetic field line curvature radius are examined. It is shown that enhanced centrifugal effects lead to the prominent bunching of the particles in the gyration phase. As a result of this bunching effect, it is demonstrated that a thin current sheet develops in the vicinity of the tail midplane. Using average values of the plasma density and temperature, the current sheet obtained has a characteristic thickness of the order of a few tenths of an earth radius, and leads to significant stretching of the local magnetic field lines. A further consequence of phase bunching is the build-up of a substantial current in the earth tail direction at low latitudes which leads to field line inclination in the dawn-dusk direction.

Delcourt, D. C.↗
DOE OSTI2020

Comparable Enhancement of TERS Signals from WSe 2 on Chromium and Gold

Plasmonic tip-sample junctions, at which the incident and scattered optical fields are localized and optimally enhanced, are often exploited to achieve ultrasensitive and highly spatially localized tip-enhanced Raman scattering (TERS). Recent work has demonstrated that the sensitivity and spatial resolution that are required to probe single molecules are attainable in such platforms. In this work, we observe and rationalize comparable TERS from few-layer WSe 2 single crystals exfoliated onto Au- and Cr-coated Si substrates, using a plasmonic TERS probe excited with a 638-nm laser. Our experimental observations are supported by finite-difference time-domain simulations that illustrate that the attainable field enhancement factors at the Au-Au and Au-Cr tip-sample nanojunctions are comparable in magnitude. Furthermore, through a combined experimental and theoretical analysis, we propose that besides Au/Ag, several metallic substrates may be used to record bright TERS spectral images.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Charge Separation in Monolayer WSe 2 by Strain Engineering: Implications for Strain-Induced Diode Action

Strain-engineering band structure in transition-metal dichalcogenides (TMDC) is a promising avenue toward capabilities in optoelectronics. For example, controlling the flow of optically generated quasiparticles can be achieved by a localized strain field which reduces the bandgap and generates an energy-band gradient that funnels neutral excitons to the strain apex. It would be even more advantageous to mimic a diode’s internal field, where both conduction and valence bands bend in the same direction, to separate electrons and holes. This can be achieved if the strain in the TMDC layer lowers both the conduction band minimum as well as the valence band maximum during strain-induced band narrowing. Here, we have used density functional theory (DFT) calculations of monolayer WSe 2 electronic structure under biaxial strain to show that WSe 2 has this property. In this work, to test the band bending experimentally, we combined localized strain with electrostatic doping to follow photoluminescence from excitons and positive or negative trions. In unstrained WSe 2 , both positive and negative trion emissions dominate over excitons away from charge neutrality. In contrast, for strained areas, negative trions accumulate, while positive trion emission is near zero away from charge neutrality, indicating a lack of holes. Hence, strain bends both conduction and valence bands down, similarly to the band bending in a PN-diode depletion region, providing an opportunity to separate electrons and holes via localized strain.

2D materials↗
DOE OSTI2024

Development of Operando Atom Probe to study field-assisted surface chemistry

Recent efforts at PNNL have led to the development of in-situ Atom Probe Tomography (ISAPT) and Operando Atom Probe (OAP), establishing PNNL as a key player in this technology, both in the U.S. and globally. OAP has already pushed the initial limits of APT, which was traditionally used at cryo temperatures (<60 K) and ultra-high vacuum (<10⁻¹² bar), to operate in the presence of reactive gases (up to 10⁻¹⁰ bar) at a maximum temperature of 300 K. Using OAP, we successfully observed Co and Fe oxidation in real-time at the nanoscale, revealing the importance of surface structures in these interactions. Additionally, OAP opens the possibility to explore the influence of local electric fields (EFs) on surface chemistry and hydrogen interactions at the nanoscale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗