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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 1,081 records · Page 60

Electrification Within Wintertime Stratiform Regions Sampled During the 2020/2022 NASA IMPACTS Field Campaign

Two nor'easter events—sampled during the NASA Investigation of Microphysics and Precipitation for Atlantic Coast-Threatening Snowstorms (IMPACTS) field campaign—were examined to characterize the microphysics in relation to the underlying electrification processes within wintertime stratiform regions. A theoretical model was developed to determine whether accretion or diffusion growth regimes were preferential during periods of greatest electrification. Model simulation with electrification parameterization was used to provide supplemental context to the physical processes of in-cloud microphysics and electrification. The strongest electric fields (i.e., ∼80 V m −1 at 20 km) during the 2020 NASA IMPACTS deployment was associated with large non-rimed ice crystals colliding with each other. During the 29–30 January 2022 science flight, the NASA P-3 microphysical probe data demonstrated that non-inductive charging was possible off the coastline of Cape Cod, Massachusetts. Later in the science flight, when the NASA P-3 and ER-2 were coordinating with each other, measured electric fields consistently were less than 8 V m −1 and electrification was subdued owing to reduced concentrations of graupel and large ice hydrometeors. Altogether, the in-situ observations provide evidence for the non-riming collisional charging mechanism and demonstrates that graupel and supercooled liquid water may not be necessary for weak electrification within wintertime stratiform regions. Model output from simulation of both events suggested that the main synoptic snowbands were associated with elevated hydrometeor snow charge density and electric fields.

snowfall↗

Influence of Incidence Angle on Sound Generation by Airfoils Interacting with High-Frequency Gusts

A theoretical model is developed for the sound generated when a convected vortical or entropic gust encounters an airfoil at nonzero angle of attack. The theory is based on a linearization of the Euler equations about the steady, subsonic flow past the airfoil. High-frequency gusts, whose wavelengths are short compared to the airfoil chord, but long compared to the displacement of the mean-flow stagnation point from the leading edge, are considered. The analysis utilizes singular perturbation techniques and involves four asymptotic regions. Local regions, which scale on the gust wavelength, are present at the airfoil leading and trailing edges. Behind the airfoil a "transition" region, which is similar to the transition zone between illuminated and shadow zones in optical problems, is present. In the outer region, far away from the airfoil edges and wake, the solution has a geometric-acoustics form. The primary sound generation is found to be concentrated in the local leading-edge region. The trailing edge plays a secondary role as a scatterer of the sound generated in the leading-edge region. Parametric calculations are presented which illustrate that moderate levels of airfoil steady loading can significantly affect the sound field produced by airfoil-gust interactions.

Matthew R. Myers↗

Incommensurate Spiral Spin Order in CaMn 2 Bi 2 Observed via High-Pressure Neutron Diffraction

Here, high-pressure neutron diffraction is employed to investigate the magnetic behavior of CaMn 2 Bi 2 in extreme conditions. In contrast to antiferromagnetic ordering on Mn atoms reported at ambient pressure, our results reveal that at high pressure, incommensurate spiral spin order emerges due to the interplay between magnetism on the Mn atoms and strong spin–orbit coupling on the Bi atoms: sinusoidal spin order is observed at pressures as high as 7.4 GPa. First-principles calculations with a noncollinear spin orientation demonstrate band crossing behavior near the Fermi level as a result of strong hybridization between the d orbitals of Mn and the p orbitals of Bi atoms. Competing antiferromagnetic order is observed at different temperatures in the partially frustrated lattice. Theoretical models have been developed to investigate spin dynamics. This research provides a unique toolbox for conducting experimental and theoretical magnetic and spin dynamics studies of magnetic quantum materials via high-pressure neutron diffraction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Developing Ideal Metalorganic Hydrides for Hydrogen Storage: from Theoretical Prediction to Rational Fabrication

Materials for hydrogen storage have been extensively explored for a few decades. Thousands of materials have been synthesized and tested, however, sparse systems could meet the practical requirements. Metalorganic hydrides discovered recently offer new opportunities. It is, however, extremely time-consuming and inefficient to experimentally screen potential materials from a large variety of metal cations and organic anions. In the present study, we performed wideranging theoretical predictions and screened more than 90 metalorganic hydrides, 20 of them were identified with both high hydrogen capacities (=5 wt%) and suitable thermodynamics (heat of H2 desorption: 25 ~ 35 kJ/mol-H2) that allows hydrogen uptake and release near ambient condition.

Jing, Zijun↗

On the Hilbert-Huang Transform Theoretical Foundation

The Hilbert-Huang Transform [HHT] is a novel empirical method for spectrum analysis of non-linear and non-stationary signals. The HHT is a recent development and much remains to be done to establish the theoretical foundation of the HHT algorithms. This paper develops the theoretical foundation for the convergence of the HHT sifting algorithm and it proves that the finest spectrum scale will always be the first generated by the HHT Empirical Mode Decomposition (EMD) algorithm. The theoretical foundation for cutting an extrema data points set into two parts is also developed. This then allows parallel signal processing for the HHT computationally complex sifting algorithm and its optimization in hardware.

Kizhner, Semion↗

INVESTIGATION OF YIELD COLLAPSE OF STIFFENED CIRCULAR CYLINDRICAL SHELLS WITH A GIVEN OUT-OF-ROUNDNESS

The effect of out-of-roundness on the yield collapse strength of ring stiffened circular cylindrical shells under hydrostatic pressure has been determined experimentally. On the basis of the experimental data and theoretical stress distributions, empirical relations have been developed which, in conjunction with the theoretically predictable yield collapse strength of round ring-stiffened circular cylindrical shells, permits the prediction of the yield collapse strength of shells with out-of-roundness.

CYLINDRICAL SHELL↗

Understanding the driving forces for crystal growth by oriented attachment through theory and simulations

Oriented attachment is a particle-based crystallization pathway, in which nanocrystals self-assemble in solution and attach along certain crystallographic direction often forming highly organized three-dimensional crystal morphologies. The pathway offers the potential for a general synthetic approach of hierarchical nanomaterials, in which multiscale structural control is achieved by manipulating the interfacial nucleation and self-assembly of nanoscale building blocks. Here the current status of the development of a predictive theoretical framework for modeling crystallization by oriented attachment is reviewed. A particular emphasis is made on recent developments in the understanding the microscopic details of solvent mediated forces that drive nanocrystal reorientation and alignment for face-selective attachment.

Sushko, Maria L.↗

A theoretical and experimental study of wood planer noise and its control

A combined analytical and experimental study of wood planer noise is made and the results applied to the development of practical noise control techniques. The dominant mechanisms of sound generation are identified and an analysis is presented which accurately predicts the governing levels of noise emission. Planing operations in which the length of the board is much greater than the width are considered. The dominant source of planer noise is identified as the board being surfaced, which is set into vibration by the impact of cutterhead knives. This is determined from studies made both in the laboratory and in the field concerning the effect of board width on the resulting noise, which indicate a six decibel increase in noise level for each doubling of board width. The theoretical development of a model for board vibration defines the vibrational field set up in the board and serves as a guide for cutterhead redesign.

Stewart, J. S.↗

Many-body effects in transport and energy transfer

Many-body physics is common in defining responses of nanoscale to external perturbations such as bias, optical driving, temperature gradient. When applied to open systems these perturbations lead to matter and energy transfer between the system and its surroundings (baths) and/or cause intra-system dynamics. While many different theoretical techniques have been developed to describe system responses, not all of them are convenient (or even appropriate) when applied at nanoscale. Traditional theoretical techniques are either based on kinetic schemes (e.g., Redfield-Lindblad quantum master equation) or utilize quasiparticle description (e.g., single-particle scattering theory, input-output formalism, standard nonequilibrium Green’s functions technique). The former fails to account for quantum mechanics of the system-bath interface and may fail qualitatively when used in open interacting systems. The latter is inconvenient when many-body states description of the system is preferable, which is usual, e.g., in molecular optical spectroscopy. This project was devoted to development of new nonequilibrium Green’s function (NEGF) techniques and application of standard and many-body flavors of the NEGF to description of charge and energy transport, optical response, nonadiabatic molecular dynamics, and thermodynamics of nanoscale devices in general, and, in particular, of single-molecule junctions. In particular, Hubbard NEGF (new many-body flavor of the NEGF) was introduced as a new technique especially convenient in treatment of optoelectronic experiments in single-molecule junctions and useful in discussion of bias induced nuclear dynamics in junctions. The research also led to further technique developments and applications beyond the timing of this Award.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Vortex development on slender missiles at supersonic speeds

A theoretical and experimental effort has been made to develop a vortex-prediction capability on circular and noncircular missiles at supersonic speeds. Predicted vortex patterns are computed by two linear-theory computer codes. One calculates the strengths and initial locations of the vortices, and the other calculates their trajectories. A short color motion picture has been produced from the calculations to illustrate the predicted vortex patterns on a typical missile. Experimental vapor-screen photographs are presented to show the longitudinal development of the vortices on a fin-control missile. Comparisons are made between these data and the predicted vortices to assess the accuracy of the theory. The theory appears to be fairly accurate in predicting the number, locations, and relative strengths of individual vortices which develop over the missile, but cannot predict vortex sheets or diffuse vorticity whenever they occur.

Allen, J. M.↗

Ta compressibility to 20+ Mbar

Developing techniques for experimentally constraining equation of state (EOS) models for important programmatic materials under extreme conditions is vital for advancing our modeling and predictive capabilities. Tantalum is a frequently used standard material for both calibration and testing, and this report describes our work to both measure Ta compressibility to very high pressures and densities using the Ramp Compression Equation of State platform on the National Ignition Facility (NIF). Using a series of seven shots, increasing in peak pressure with each shot, we have made absolute measurements of the compressibility of Ta along the ramp compression path up to 2.3 TPa. Previous experimental measurements constrained the cold compressibility up to ~400 GPa, and there is a spread in the EOS models above that pressure. To improve communication and collaboration between the experimental team and the EOS development group, these new data, along with other experimental and theoretical constraints, were used to develop a Ta equation of state table, M73000. This report first describes the experimental measurements made at the NIF, and then discusses the construction of the EOS model. The ramp compression data can be found in tabular form in Appendix A. Appendix B contains some additional experimental details. In Appendix C we include some additional details on the EOS modeling. At the end of this document, we have attached a detailed report on the NIF ramp compression platform itself and in the main text referenced specific sections for additional details.

36 MATERIALS SCIENCE↗

Development of a laminar boundary layer behind a suction point

A theoretical investigation is made of the development of a laminar boundary layer behind a suction slot that is assumed to cut off part of the boundary layer without exerting any sink effect. The development, which is approximate, is based on the heat conduction equation. The heat conduction equation enters the analysis through a linearization of the Prandtl-Mises form of the boundary-layer equation.

EQUATIONS - BOUNDARY LAYER↗

A Single‐Atom Iridium Heterogeneous Catalyst in Oxygen Reduction Reaction

Abstract Combining the advantages of homogeneous and heterogeneous catalysts, single‐atom catalysts (SACs) are bringing new opportunities to revolutionize ORR catalysis in terms of cost, activity and durability. However, the lack of high‐performance SACs as well as the fundamental understanding of their unique catalytic mechanisms call for serious advances in this field. Herein, for the first time, we develop an Ir‐N‐C single‐atom catalyst (Ir‐SAC) which mimics homogeneous iridium porphyrins for high‐efficiency ORR catalysis. In accordance with theoretical predictions, the as‐developed Ir‐SAC exhibits orders of magnitude higher ORR activity than iridium nanoparticles with a record‐high turnover frequency (TOF) of 24.3 e − site −1 s −1 at 0.85 V vs. RHE) and an impressive mass activity of 12.2 A mg −1 Ir , which far outperforms the previously reported SACs and commercial Pt/C. Atomic structural characterizations and density functional theory calculations reveal that the high activity of Ir‐SAC is attributed to the moderate adsorption energy of reaction intermediates on the mononuclear iridium ion coordinated with four nitrogen atom sites.

Xiao, Meiling↗

A Single‐Atom Iridium Heterogeneous Catalyst in Oxygen Reduction Reaction

Abstract Combining the advantages of homogeneous and heterogeneous catalysts, single‐atom catalysts (SACs) are bringing new opportunities to revolutionize ORR catalysis in terms of cost, activity and durability. However, the lack of high‐performance SACs as well as the fundamental understanding of their unique catalytic mechanisms call for serious advances in this field. Herein, for the first time, we develop an Ir‐N‐C single‐atom catalyst (Ir‐SAC) which mimics homogeneous iridium porphyrins for high‐efficiency ORR catalysis. In accordance with theoretical predictions, the as‐developed Ir‐SAC exhibits orders of magnitude higher ORR activity than iridium nanoparticles with a record‐high turnover frequency (TOF) of 24.3 e − site −1 s −1 at 0.85 V vs. RHE) and an impressive mass activity of 12.2 A mg −1 Ir , which far outperforms the previously reported SACs and commercial Pt/C. Atomic structural characterizations and density functional theory calculations reveal that the high activity of Ir‐SAC is attributed to the moderate adsorption energy of reaction intermediates on the mononuclear iridium ion coordinated with four nitrogen atom sites.

Xiao, Meiling↗

Comment on "Heterodyne Lidar Returns in the Turbulent Atmosphere: Performance Evaluation of Simulated Systems"

The explanation for the difference between simulation and the zero-order theory for heterodyne lidar returns in a turbulent atmosphere proposed by Belmonte and Rye is incorrect. The theoretical expansion is not developed under a square- law-structure function approximation (random wedge atmosphere). Agreement between the simulations and the zero-order term of the theoretical expansion is produced for the limit of statistically independent paths (bi-static operation with large transmitter-receiver separation) when the simulations correctly include the large-scale gradients of the turbulent atmosphere.

Frehlich, Rod↗

Theoretical and computational studies on the scattering of radio frequency waves by fluctuations

The practical and economic viability of tokamak fusion reactors depends, in a significant way, on the efficiency of radio frequency (RF) waves to deliver energy and momentum to the plasma in the core of the reactor. Among the various attributes of RF waves is their ability to heat magnetically confined plasmas, induce plasma currents in an effort to achieve steady state, and modify the current profile so as to control plasma instabilities like the neoclassical tearing modes. The RF electromagnetic waves, excited by antenna structures placed near the wall of a tokamak, have to propagate through the turbulent plasma in the scrape-off layer (SOL) along their path to the core plasma. While the propagation and damping of RF waves in the core is reasonably well understood, the same is not true for RF propagation through the SOL. In present day fusion devices, the radial width of the SOL is of the order of a few centimeters. In ITER and in future fusion reactors this width will be of the order of tens of centimeters. Any deleterious effects on RF waves due to plasma turbulence in the SOL has to be properly understood in order to optimize the delivery of RF energy and momentum into the core. This paper is on a multi-pronged approach that is being pursued to quantify the effect of SOL plasma on RF waves. The SOL is composed of coherent filamentary, or blob like, structures and incoherent fluctuations. For coherent structures a full-wave theoretical model has been developed. This model is used to benchmark computational codes that are subsequently used to study general distribution of filaments, thereby extending the range of the theoretical formulation. For incoherent fluctuations, a common approach towards quantifying the effects of turbulence is the Kirchhoff technique. This technique is based on physical optics and the wave fields at any point on a spatially varying surface are approximated to be the same as the fields on a tangent plane at that point. The results from the theoretical analysis are compared with full-wave numerical simulations for incoherent fluctuations. The final part of these studies is to construct the effective permittivity of a turbulent plasma that is a mix of coherent and incoherent fluctuations. Towards this end, the ``effective medium approximation'' is being used to construct the permittivity of the turbulent plasma that will be used in full-wave and physical optics studies of scattering. All these approaches are distinctly different from previous studies on the RF wave propagation through turbulent plasmas. The theory and computations discussed in this paper apply to RF waves in any frequency range and for arbitrary variations in density, and reveal new and important physical insights into the scattering of RF waves.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Improved Prediction of Momentum and Scalar Fluxes Using MODIS Imagery

There are remote sensing and science objectives. The remote sensing objectives are: To develop and test a theoretical method for estimating local momentum aerodynamic roughness length, z(sub 0m), using satellite multispectral imagery. To adapt the method to the MODIS imagery. To develop a high-resolution (approx. 1km) gridded dataset of local momentum roughness for the continental United States and southern Canada, using MODIS imagery and other MODIS derived products. The science objective is: To determine the sensitivity of improved satellite-derived (MODIS-) estimates of surface roughness on the momentum and scalar fluxes, within the context of 3-D atmospheric modeling.

Crago, Richard D.↗

Theoretical and Experimental Studies of the Transonic Flow Field and Associated Boundary Conditions near a Longitudinally-Slotted Wind-Tunnel Wall

A theoretical examination of the slotted-wall flow field is conducted to determine the appropriate wall pressure drop (or boundary condition) equation. This analysis improves the understanding of the fluid physics of these types of flow fields and helps in evaluating the uncertainties and limitations existing in previous mathematical developments. It is shown that the resulting slotted-wall boundary condition contains contributions from the airfoil-induced streamline curvature and the non-linear, quadratic, slot crossflow in addition to an often neglected linear term which results from viscous shearing in the slot. Existing and newly acquired experimental data are examined in the light of this formulation and theoretical developments.

Everhart, Joel Lee↗