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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Active magnetic regenerative cooling with smaller magnets

Magnetocaloric heat pumping near room temperature, a.k.a. magnetic cooling, relies on the active regenerator cycle to achieve functional temperature spans and realize economic and societal benefits promised by this emerging solid-state cooling technology. The cycle itself depends upon synchronizing oscillating flow of a heat transfer fluid through a solid porous active material matrix, or the refrigerant, with periods when the refrigerant is in the highest available (field-on) and in nearly zero (field-off) magnetic fields to accomplish heat transfer. With this in mind, in this work we analyze varying flow and magnetic field wave forms and the timing between when the fluid is pumped and when the magnetic field is turned on and off. We demonstrate that the volume and the cost of permanent magnet generating the field changes can be cut nearly in half with little to no effect on the device temperature span and cooling power normalized by the refrigerant mass.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Multireference Methods for Chemistry and Materials Science: Automated Active Spaces, Efficient Dynamic Correlation, and Extended Systems

While multiconfigurational approaches have long been relegated to expert practitioners working on a case-by-case basis, recent developments have increasingly made these methods more routine and applicable to broader sets of systems. This article outlines the state-of-the-art in multiconfigurational approaches, with an emphasis on moving from delicate hand-selected pathways through configuration space toward more robust and efficient approaches to treating a host of challenging chemical systems accurately. First, we overview recent work in automated active-space selection, which has enabled increasingly large-scale applications of multireference methods to modeling vertical excitations and reactivity. Second, we highlight the increasingly efficient methods for recovering correlation energy beyond the active space, as headlined by extensions of pair-density functional theory and its role in accurate and efficient treatment of excited-state dynamics and its utilization to train machine-learned potentials. Finally, we highlight recent efforts to treat extended systems that until recently have lied beyond the traditional limits of active-space methods, giving center stage to product-form wave functions of the localized active space family of methods that allow for the computation of multiconfigurational band structures. These recent advancements point to a broader use of multireference approaches for high-impact chemical and materials science applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Direct nano-imaging of light-matter interactions in nanoscale excitonic emitters

Strong light-matter interactions in localized nano-emitters placed near metallic mirrors have been widely reported via spectroscopic studies in the optical far-field. Here, we report a near-field nano-spectroscopic study of localized nanoscale emitters on a flat Au substrate. Using quasi 2-dimensional CdSe/Cd x Zn 1-x S nanoplatelets, we observe directional propagation on the Au substrate of surface plasmon polaritons launched from the excitons of the nanoplatelets as wave-like fringe patterns in the near-field photoluminescence maps. These fringe patterns were confirmed via extensive electromagnetic wave simulations to be standing-waves formed between the tip and the edge-up assembled nano-emitters on the substrate plane. We further report that both light confinement and in-plane emission can be engineered by tuning the surrounding dielectric environment of the nanoplatelets. Our results lead to renewed understanding of in-plane, near-field electromagnetic signal transduction from the localized nano-emitters with profound implications in nano and quantum photonics as well as resonant optoelectronics.

42 ENGINEERING↗
DOE OSTI2025

Bridging the gap between molecules and materials in quantum chemistry with localized active spaces

The number of materials that “bridge the gap” between single molecules and extended solids, such as metal-organic frameworks and organic semiconductors, has been increasing. Consequently, there is a growing need for modeling approaches that effectively integrate the real-space molecular perspective employed by computational chemists and the reciprocal-space dispersive perspective employed by computational physicists. Here, we propose the localized active space (LAS) approach as a promising method to successfully bridge this gap. The LAS approach extends the active space concept from multiconfigurational methods such as complete active space self-consistent field theory to multiple molecular fragments via a product-form wave function ansatz. Here, we apply this method to solid state phenomena by treating each unit cell as a fragment with different sets of local quantum numbers (e.g., charge and excitation number). State interaction between these LAS states (LASSI) thus provides a comprehensive basis for the study of charge and energy transfer, meeting and surpassing the capabilities of single-reference fragmentation approaches such as constrained density functional theory (cDFT). Most centrally, we show how combining this LASSI approach with multiconfigurational pair-density functional theory (MC-PDFT) provides an elegant and efficient method to compute band structures that capture multiconfigurational character. We apply the LASSI band structure approach to the computation of band gaps in stretched hydrogen chain, polyacetylene, and bulk nickel oxide (NiO), finding good or excellent quantitative agreement with reference values in all cases. Additionally, we use the LAS basis in one-dimensional model systems to demonstrate its ability to treat difficult solid-state phenomena such as exciton transfer and excitation at p-n junctions.

method development↗
DOE OSTI2019

Fluid and kinetic nonlinearities of near-acoustic plasma waves

Large amplitude, near-acoustic plasma waves have a temperature-dependent harmonic content and nonlinear frequency shifts. On cold plasmas, experiments show that fluid nonlinearities dominate, and the observed harmonic content is well predicted by a recent fluid analysis. In contrast, the measured nonlinear frequency shift is smaller than this theory prediction, suggesting the presence of other nonlinear effects neglected in this analysis. When the plasma is heated, kinetic effects become important, and we observe an increase in both the harmonic content and nonlinear frequency shift. Quantitative experiments on the stability of these large amplitude, near-acoustic plasma waves strongly support the idea that trapped particles reduce the amplitude threshold for instability below fluid models. Furthermore, at low temperatures, the broad characteristics of the parametric instability are determined by the frequency detuning of the pump and daughter wave and the wave-wave coupling strength, surprisingly consistent with simple cold fluid, three-wave theories. However, at higher temperatures, the pump wave becomes unstable at half the threshold pump wave amplitude, with similar exponential growth rates as for a cold plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Convective-Environmental Interactions in the Tropics

During the four years of this grant performance, the PI and her research group have made a number of significant contributions toward better understanding convective processes over the Amazon. First, she made available to the broader community a two-year data set of convective storm metrics based on SIPAM radar data from the central Amazon that has been utilized widely. Second, her students analyzed cold pool and heating characteristics of Amazonian convection and showed in heretofore unknown ways how both can impact new convective initiation (e.g., through multiple cold pool interactions and gravity waves formed via pulsed heating). Finally, her group more broadly showed how Amazonian and Indian Ocean convection interacts with the large-scale environment, especially low-level winds (e.g., the nocturnal Amazonian low-level jet) and deeper tropospheric moisture, to help it organize and how this interaction is represented in climate models.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1969

Two devices for analysis of nystagmus

Electromechanical Slope Computer /ESC/ and Electronic Summation Device /ESD/ facilitates rapid analysis of nystagmus records. The ESC reads out the slope and time of each nystagmus wave form. The ESD provides much faster analysis than the ESC. It provides an immediate analog display and digital display of analyzed nystagmus.

Guedry, F. E., Jr.↗
NASA NTRS1973

Fast recharge circuit for q-switched lasers

Cavity-dumped lasers employ electrooptic-effect cell to alternately block and release laser pulse. Cell requires high-speed switching circuit that can apply and remove high voltage. Solid-state circuit employs complementary transistor switches which can switch at rates greater than 5 kHz, eliminate warmup time, provide variable voltage wave-form, and allow polarity reversal.

Hansen, R. L.↗
NASA NTRS1973

Cross-correlation analysis of the AE index and the interplanetary magnetic field Bz component.

A cross-correlation study between magnetospheric activity (the AE index) and the southward-directed component of the interplanetary magnetic field (IMF) is made for a total of 792 hours (33 days) with a time resolution of about 5.5 min. The peak correlation tends to occur when the interplanetary data are shifted approximately 40 min later with respect to the AE index data. Cross-correlation analysis is conducted on some idealized wave forms to illustrate that this delay between southward turning of the IMF and the AE index should not be interpreted as being the duration of the growth phase.

Meng, C.-I.↗
NASA NTRS1973

Experiments in gasdynamics of explosions.

Various topics concerning recent accomplishments in experimental studies of gasdynamics of explosions are reviewed. Detonations, shocks, and blast waves form these topics. The most important feature of current studies is the particular attention paid to transient processes and the concomitant progress made in the development of novel experimental means for the study of such processes. The most exciting prospects for the future are associated with possibilities of exploiting knowledge of explosion phenomena for the development of such interesting devices as the gasdynamic laser and the apparatus based on the use of lasers to achieve controlled thermonuclear reaction.

Oppenheim, A. K.↗
NASA NTRS1973

Pulsatile Newtonian frictional losses in a rigid tube.

Analytic expressions for the instantaneous average velocity and friction factor have been obtained for pulsatile Newtonian laminar flow with mean flow. Experimental pulsatile pressure gradients were found to be complex wave forms whose characteristics strongly influenced the experimental pulsatile average velocity and friction factor. Experimental and theoretical reduced instantaneous friction factor histories varied in a non-sinusoidal manner throughout the pulse cycle and exhibited extremum points. At high pulsation pressure ratios, substantial deviation occurred in the portion of the pulse cycle where the instantaneous average velocity approached zero. At low pulsation pressure ratios, the experimental and theoretical time average friction factor equaled unity and was independent of pulsation modulus. One potential application of this result is in the study of blood flow through small blood vessels.

Phillips, E. M.↗
NASA NTRS1975

Acoustic emission characteristics of copper alloys under low-cycle fatigue conditions

The acoustic emission (AE) characteristics of pure copper, zirconium-copper, and several copper alloys were determined to develop nondestructive evaluation schemes of thrust chambers through AE techniques. The AE counts rms voltages, frequency spectrum, and amplitude distribution analysis evaluated AE behavior under fatigue loading conditions. The results were interpreted with the evaluation of wave forms, crack propagation characteristics, as well as scanning electron fractographs of fatigue-tested samples. AE signals at the beginning of a fatigue test were produced by a sample of annealed alloys. A sample of zirconium-containing alloys annealed repeatedly after each fatigue loading cycle showed numerous surface cracks during the subsequent fatigue cycle, emitting strong-burst AE signals. Amplitude distribution analysis exhibits responses that are characteristic of certain types of AE signals.

Krampfner, Y.↗
NASA NTRS1975

Regular radiation field pulses produced by intracloud lightning discharges

Sequences or bursts of uniform pulses have been recorded during a large fraction of intracloud lightning discharges in Florida and Arizona. The wave form of a typical pulse begins with a fast large-amplitude portion followed by a small and slowly varying overshoot. The full width and half maximum of the large amplitude peak is typically 0.75 microsec, and the time intervals between pulses are typically 5 microsec in both maritime and continental storms. The pulse shapes and interval times suggest that the source of these pulses in an intracloud dart-stepped leader process similar to that which has been photographed in discharges to ground.

Krider, E. P.↗
NASA NTRS1976

On meteor-generated infrasound

The characteristics of generation and propagation of infrasonic pressure waves excited during meteor entry into the earth's atmosphere are studied. Existing line source blast wave theory is applied to infrasonic airwave data from four bright fire-balls. It is shown that the strong shock behavior of the blast wave is confined to a cylinderical region with a radius proportional to the product of the meteor Mach number and its diameter. A description of the wave form far from the source is provided. Infrasonic data reported elsewhere are analyzed. All the results should be considered as preliminary, and additional work is under way to refine the estimates obtained.

Revelle, D. O.↗
NASA NTRS1976

Magnetosheath lion roars

The characteristics of lion roars, which are intense packets of electromagnetic waves characteristically found in the magnetosheath, are studied. The average frequency of the emissions is 120 Hz, with over 90% occurring between 90 and 160 Hz (which is near one-half the local electron gyrofrequency); over 70% of all emissions last a mere 2 sec or less; the maximum amplitude of lion roars has an average value of 85 milligamma, over 80% being between 40 and 160 milligamma. Occurrence of lion roars is related to the level of geomagnetic activity, measured by Kp. The probability of occurrence ranges from 10% during magnetically quiet intervals to 75% during disturbed periods. Polarization and wave normal direction of lion roars, determined by variance analysis of triaxial wave forms, are righ-handed circularly polarized, with propagation essentially along the ambient magnetic field.

Smith, E. J.↗
NASA NTRS1976

Pc 3, 4 activity and interplanetary field orientation

Analysis of Pc 3, 4 micropulsation wave forms recorded at Calgary in September 1969 shows a tendency toward signal enhancement in cases where the interplanetary magnetic field is at a small angle to the sun-earth line. Scatter plots of hourly Pc 3, 4 amplitudes exhibit a definite trend toward large signals when this angle is less than 50 or 60 degrees, and a corresponding disappearance of significant amplitudes when the angle is greater than 60 degrees. There is, however, an appreciable variability in individual cases. Power density spectrograms improved the correlation of pulsation strength with low angle in some cases.

Greenstadt, E. W.↗