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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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NASA NTRS1990

Pitch angle and velocity diffusions of newborn ions by turbulence in the solar wind

The temporal evolution of the distribution function of newborn ions under the influence of intrinsic low-frequency solar wind turbulences is studied. In particular, an initial ring-beam distribution of newborn ions under the influence of hydromagnetic waves is considered. A simplified treatment of the resonance broadening effect is given, and its role in the pickup process is discussed. Two different configurations of wave polarization amd direction of propagation are considered. The conditions that lead either to the formation of anisotropic shells as a long-duration transient state or to rapid isotropization of the ion pitch angle distribution are discussed, as are the conditions which lead to significant acceleration of the ions.

Ziebell, L. F.↗

DOE OSTI2021

Local-Distance Seismic Event Relocation and Relative Magnitude Estimation, Applications to Mining Related Seismicity in the Powder River Basin, Wyoming

Recent efforts to characterize small ( M w < 3 ) seismic events at local distances have become more important because of the increased observation of human-triggered and induced seismicity and the need to advance nuclear explosion monitoring capabilities. The signals generated by low-magnitude seismic sources necessitate the use of nearby short-period observations, which are sensitive to local geological heterogeneity. Local to near-regional distance ( < 300 km ) surface and shear waves can dominate short-period observations from small, shallow seismic sources. In this work, we utilize these observations to estimate precise, relative locations and magnitudes of ~ 700 industrial mining events in Wyoming, using nearly 360,000 observations. The precise, relative location estimates (with formal location uncertainty estimates of less than 1 km) collapse a diffuse collection of mining events into discrete clusters associated with individual blasting operations. We also invert the cross-correlation amplitudes to estimate precise, relative moment magnitude estimates, which help validate and identify disparities in the event sizes reported by regional network catalogs. Joint use of multiple phases allows for the inclusion of more seismic events due to the increase in the number of observations. In some cases, using a single phase allowed us to relocate only 50% of the original reported seismic events within a cluster. Combining shear- and surface-wave phases increased the number of events to above 90% of the original events, allowing us to characterize a broader range of event sizes, source to station distances, and event distributions. This analysis takes a step toward making a fuller characterization of small industrial seismic events observed at local distances.

58 GEOSCIENCES↗

NASA NTRS1996

Particle Acceleration in Active Galactic Nuclei

The investigation of stochastic particle acceleration through resonant interactions with plasma waves that populate the magnetosphere surrounding an accreting black hole is presented. Stochastic acceleration has been successfully applied to the problem of ion and electron energization in solar flares, and is capable of accounting for a wide range of both neutral and charged particle emissions. It is also a component in diffusive shock acceleration, since pitch-angle scattering (which is necessary for multiple shock crossings) is accompanied by diffusion in momentum space, which in turn yields a net systematic energy gain; however, stochastic energization will dominate the first-order shock process only in certain parameter regimes. Although stochastic acceleration has been applied to particle energization in the lobes of radio galaxies, its application to the central regions of AGNs (active galactic nuclei) has only recently been considered, but not in detail. We proposed to systematically investigate the plasma processes responsible for stochastic particle acceleration in black hole magnetospheres along with the energy-loss processes which impede particle energization. To this end, we calculated acceleration rates and escape time scales for protons and electrons resonating with Alfven waves, and for electrons resonating with whistlers. We also considered the "hot" topic of gamma-ray line emission from the Orion complex. We proposed that the observed gamma-ray lines are produced by energetic ions that are stochastically accelerated by cascading Alfven waves in the accretion plasma near a black hole. Related research papers that were published in journals are listed.

Miller, James A.↗

NASA NTRS2016

Electron Energization and Structure of the Diffusion Region During Asymmetric Reconnection

Results from particle-in-cell simulations of reconnection with asymmetric upstream conditions are reported to elucidate electron energization and structure of the electron diffusion region (EDR). Acceleration of unmagnetized electrons results in discrete structures in the distribution functions and supports the intense current and perpendicular heating in the EDR. The accelerated electrons are cyclotron turned by the reconnected magnetic field to produce the outflow jets, and as such, the acceleration by the reconnection electric field is limited, leading to resistivity without particle-particle or particle-wave collisions. A map of electron distributions is constructed, and its spatial evolution is compared with quantities previously proposed to be EDR identifiers to enable effective identifications of the EDR in terrestrial magnetopause reconnection.

magnetic reconnection↗

DOE OSTI2022

Numerical Analysis of Liquid Metal MHD Flow and Heat Transfer for Open-Surface Li Divertor in FNSF

Within the ongoing U.S.-based program on the development of liquid metal plasma-facing components, numerical simulations and analyses are performed to address the feasibility of the open-surface Li divertor. In the previous scoping studies (Smolentsev, 2021), heat-removal capabilities of the divertor were assessed using a simplified flow model for a slug-type velocity profile and constant flow thickness. Here, new analyses take into account forces acting on the flowing Li layer. Three reduced-order mathematical models are applied under the conditions of the U.S. Fusion Nuclear Science Facility (FNSF) to access magnetohydrodynamic (MHD) flow development effects, velocity distribution, and surface waves: 1) fully developed MHD flow; 2) quasi-2-D developing MHD flow; and 3) multiphase MHD flow. The obtained results for MHD flows and the surface heat flux computed with the plasma code scrape-off layer plasma simulation for ITER (SOLPS-ITER) are then used as input data to compute the temperature distribution in the divertor by solving the convection–diffusion energy equation.

Smolentsev, Sergey↗

DOE OSTI2020

Learning how structures form in drift-wave turbulence

Drift-wave turbulence produces anomalous transport via cross-correlations between fluctuations. This transport has profound implications for confinement, structure formation, and virtually all aspects of the non-linear turbulent dynamics. Herein, we use a data-driven method based on deep learning in order to study turbulent transport in the 2D Hasegawa–Wakatani system and infer a reduced mean-field model from numerical solution. In addition to the usual turbulent diffusion, we find an effect which couples the particle flux to the local gradient of vorticity, which tends to modulate the density profile. The direct coupling to the shear is relatively weak. In addition, the deep learning method finds a model for spontaneous zonal flow generation by negative viscosity, stabilized by non-linear and hyperviscous terms. We compare these results to analytic calculations using quasilinear theory and wave kinetics, finding qualitative agreement, though the calculations miss certain higher-order effects. A simplified, 1-D model for the evolution of the profile, flow, and intensity based on the deep learning results is solved numerically and compared to previous models for staircasing based on bistability. We see that the physics uncovered by the deep learning method provided simple explanations for the formation of zonal structures in the density, flow, and turbulence fields. We highlight the important role of symmetry in the deep learning method and speculate on the portability of the method to other applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Bond Selective Photochemistry at Metal Nanoparticle Surfaces: CO Desorption from Pt and Pd

The use of visible photon fluxes to influence catalytic reactions on metal nanoparticle surfaces has attracted attention based on observations of reaction mechanisms and selectivity not observed under equilibrium heating. These observations suggest that photon fluxes can selectively impact the rates of certain elementary steps, creating nonequilibrium energy distributions among various reaction pathways. However, quantitative studies validating these hypotheses on metal nanoparticle surfaces are lacking. Here, we examine the influence of continuous wave visible photon fluxes on the CO desorption rates from 1 to 2 nm diameter Pt and Pd nanoparticle surfaces supported on γ-Al 2 O 3 . Temperature-programmed desorption measurements quantified via diffuse reflectance infrared Fourier transform spectroscopy demonstrate that visible photon fluxes significantly enhanced the rate of CO desorption from Pt nanoparticles in a wavelength-dependent manner. 440 nm photons most efficiently promoted CO desorption from Pt nanoparticle surfaces, aligning with the excitation energy for the interfacial electronic transition within the Pt–CO bond. Conversely, visible photon fluxes had no measurable influence on CO desorption rates from Pd nanoparticle surfaces after accounting for photon-induced heating. Density functional theory calculations demonstrate that the Pt–CO bond exhibits a narrower LUMO resonance, stronger coupling between the photoexcitation and forces induced on the metal–C bond, and vibrational energy dissipation that more effectively couples to desorption as compared to Pd–CO. These results demonstrate the specificity photons provide in facilitating chemical reactions on metal nanoparticle surfaces and substantiate the idea that photon fluxes can steer processes and outcomes of catalytic reactions in ways not achievable by equilibrium heating.

desorption↗

DOE OSTI2021

Computational general relativistic force-free electrodynamics: II. Characterization of numerical diffusivity

Scientific codes are an indispensable link between theory and experiment; in (astro-)plasma physics, such numerical tools are one window into the universe’s most extreme flows of energy. The discretization of Maxwell’s equations – needed to make highly magnetized (astro)physical plasma amenable to its numerical modeling – introduces numerical diffusion. It acts as a source of dissipation independent of the system’s physical constituents. Understanding the numerical diffusion of scientific codes is the key to classifying their reliability. It gives specific limits in which the results of numerical experiments are physical. We aim at quantifying and characterizing the numerical diffusion properties of our recently developed numerical tool for the simulation of general relativistic force-free electrodynamics by calibrating and comparing it with other strategies found in the literature. Our code correctly models smooth waves of highly magnetized plasma. We evaluate the limits of general relativistic force-free electrodynamics in the context of current sheets and tearing mode instabilities. We identify that the current parallel to the magnetic field (j ∥ ), in combination with the breakdown of general relativistic force-free electrodynamics across current sheets, impairs the physical modeling of resistive instabilities. We find that at least eight numerical cells per characteristic size of interest (e.g., the wavelength in plasma waves or the transverse width of a current sheet) are needed to find consistency between resistivity of numerical and of physical origins. High-order discretization of the force-free current allows us to provide almost ideal orders of convergence for (smooth) plasma wave dynamics. The physical modeling of resistive layers requires suitable current prescriptions or a sub-grid modeling for the evolution of j ∥ .

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1982

Ion distribution effects of turbulence on a kinetic auroral arc model

An inverted-V auroral arc structure plasma-kinetic model is extended to phenomenologically include the effects of electrostatic turbulence, with k-parallel/k-perpendicular being much less than unity. It is shown that, unless plasma sheet ions are very much more energetic than the electrons, anomalous resistivity is not a large contributor to parallel electrostatic potential drops, since the support of the observed potential drop requires a greater dissipation of energy than can be provided by the plasma sheet. Wave turbulence can, however, be present, with the ion cyclotron turbulence levels suggested by the ion resonance broadening saturation mechanism of Dum and Dupree (1970) being comparable to those observed on auroral field lines. The diffusion coefficient and net growth rate are much smaller than estimates based solely on local plasma properties.

Cornwall, J. M.↗

NASA NTRS1983

Nonlinear theory of type I irregularities in the equatorial electrojet

By allowing for the effect of wave electric fields on electron orbits, a nonlinear dispersion relation for type I irregularities is obtained. This relation predicts (1) isotropy of the Doppler shift with elevation, (2) a limiting phase velocity equal to the ion acoustic speed, and (3) a saturation amplitude which is maximum for horizontally propagating waves and decreases with elevation. With the theory presented here, the in situ electric field measurements of Pfaff et al. (1980) in the electrojet environment could provide a quantitative check for the theory of orbit diffusion by stochastic electric fields.

Sudan, R. N.↗

NASA NTRS1985

s-wave threshold in electron attachment - Observations and cross sections in CCl4 and SF6 at ultralow electron energies

The threshold photoionization method was used to study low-energy electron attachment phenomena in and cross sections of CCl4 and SF6 compounds, which have applications in the design of gaseous dielectrics and diffuse discharge opening switches. Measurements were made at electron energies from below threshold to 140 meV at resolutions of 6 and 8 meV. A narrow resolution-limited structure was observed in electron attachment to CCl4 and SF6 at electron energies below 10 meV, which is attributed to the divergence of the attachment cross section in the limit epsilon, l approaches zero. The results are compared with experimental collisional-ionization results, electron-swarm unfolded cross sections, and earlier threshold photoionization data.

Chutjian, A.↗

NASA NTRS1991

High-Order Polynomial Expansions (HOPE) for flux-vector splitting

The Van Leer flux splitting is known to produce excessive numerical dissipation for Navier-Stokes calculations. Researchers attempt to remedy this deficiency by introducing a higher order polynomial expansion (HOPE) for the mass flux. In addition to Van Leer's splitting, a term is introduced so that the mass diffusion error vanishes at M = 0. Several splittings for pressure are proposed and examined. The effectiveness of the HOPE scheme is illustrated for 1-D hypersonic conical viscous flow and 2-D supersonic shock-wave boundary layer interactions.

Liou, Meng-Sing↗

NASA NTRS1993

The effect of dissipative inhomogeneous medium on the statistics of the wave intensity

One of the main theoretical points in the theory of wave propagation in random medium is the derivation of closed form equations to describe the statistics of the propagating waves. In particular, in one dimensional problems, the closed form representation of the multiple scattering effects is important since it contributes in understanding such problems like wave localization, backscattering enhancement, and intensity fluctuations. In this the propagation of plane waves in a layer of one-dimensional dissipative random medium is considered. The medium is modeled by a complex permittivity whose real part is a constant representing the absorption. The one dimensional problem is mathematically equivalent to the analysis of a transmission line with randomly perturbed distributed parameters and a single mode lossy waveguide and the results can be used to study the propagation of radio waves through atmosphere and the remote sensing of geophysical media. It is assumed the scattering medium consists of an ensemble of one-dimensional point scatterers randomly positioned in a layer of thickness L with diffuse boundaries. A Poisson impulse process with density lambda is used to model the position of scatterers in the medium. By employing the Markov properties of this process an exact closed form equation of Kolmogorov-Feller type was obtained for the probability density of the reflection coefficient. This equation was solved by combining two limiting cases: (1) when the density of scatterers is small; and (2) when the medium is weakly dissipative. A two variable perturbation method for small lambda was used to obtain solutions valid for thick layers. These solutions are then asymptotically evaluated for small dissipation. To show the effect of dissipation, the mean and fluctuations of the reflected power are obtained. The results were compared with a lossy homogeneous medium and with a lossless inhomogeneous medium and the regions where the effect of absorption is not essential were discussed.

Saatchi, Sasan S.↗

NASA NTRS2011

Bursty Precipitation Driven by Chorus Waves

The electron precipitation bursts have been shown to be a major sink for the radiation belt relativistic electrons. As underlying mechanism of such bursts, we propose particle scattering into the loss cone due to nonlinear resonance interaction between electrons and chorus. Stochastic heating due to the coupling leads to diffusion in pitch angle, and the rate of diffusion would be sufficient to account for the emptying of the Earth's radiation belt over the time of the main phase of geomagnetic storms. The results obtained in the present paper account for a strong energy dependence in the electron precipitation event and the correlation between the energization and loss processes on macroscopic timescales, which is primarily attributed to the cooperative effects of the coupling. This mechanism of chorus scattering should produce pitch angle distributions that are energy-dependent and butterfly-shaped. The calculated timescales and the total energy input to the atmosphere from precipitating relativistic electrons are in reasonable agreement with experimental data.

Khazanov, G. V.↗

DOE OSTI2026

Enabling probabilistic learning on manifolds through double diffusion maps

Here, we present a generative learning framework for probabilistic sampling that extends Probabilistic Learning on Manifolds (PLoM), which is designed to generate statistically consistent realizations of a random vector in a finite-dimensional Euclidean space, informed by a (representative) set of observations. In its original form, PLoM constructs a reduced-order probabilistic model by combining three main components: (a) kernel density estimation to approximate the underlying probability measure, (b) Diffusion Maps to characterize the manifold of the data, and (c) a reduced-order Itô Stochastic Differential Equation (ISDE) to sample from the learned distribution. However, its sampling dynamics are posed in the ambient space and the retained number of reduced coordinates is chosen by projection-reconstruction error. In practice, this often (i) requires more coordinates than the data’s intrinsic dimension to achieve stable sampling and (ii) lacks a smooth, basis-independent lifting back to the data domain; moreover, standard Diffusion Maps emphasize harmonic eigenfunctions and can miss non-harmonic latent structure. We address these limitations by decoupling geometry learning from sampling: a first Diffusion Maps pass identifies non-harmonic coordinates on which we formulate a full-order ISDE directly in the latent space, while Double Diffusion Maps captures multiscale geometric features and Geometric Harmonics (GH) learns a smooth lifting map to the ambient variables that is independent of the particular diffusion basis. This hybrid design preserves the system’s dynamical richness with a compact geometric representation and enables principled out-of-sample inference. The effectiveness and robustness of the proposed method are illustrated through two numerical studies: one based on data generated from two-dimensional Hermite polynomial functions and another based on high-fidelity simulations of a detonation wave in a reactive flow.

Double diffusion maps↗

DOE OSTI2025

Models and Measurements Quantify Photon Recycling, Charge-Carrier Diffusion and Photon Scattering Contributions to Photoluminescence in InP Nanowire Arrays

Nanowire arrays present many unique advantages for solar-to-chemical energy conversion. One possible advantage is that photon recycling between neighboring nanowires has the potential to increase solar energy conversion efficiencies. Here, in this work, we explore three underlying mechanisms of optical and electronic coupling between neighboring nanowires─incident photon scattering, photon recycling, and charge-carrier transport from the photoexcited nanowire to the neighboring nanowire via the underlying substrate─using single nanowire-level microscopy and spectroscopy measurements. We present a comprehensive analysis of light absorption and emission of a single nanowire at open circuit, and subsequent re-absorption and re-emission by a neighboring nanowire. We developed a novel correlated single nanowire microspectroscopy and widefield imaging methodology to spatially resolve photon communication pathways between neighboring nanowires and selectively image re-emitted and reflected photons. We developed unique multiphysics models to couple wave optics and semiconductor photophysics to especially isolate contributions from photon recycling and electronic transport to photon emission from neighboring nanowires. By systematically varying the morphologies of the nanowires modeled, we identified pathways to maximize photon recycling between neighboring nanowires. We concluded that the measured photoluminescence is more strongly influenced by the diffusion of charge carriers as compared to photon recycling in materials with moderate-to-large charge-carrier mobilities (>10 cm 2 V –1 s –1 ), and that photon recycling dictates photoluminescence intensity only when the charge-carrier mobility is low (<1 cm 2 V –1 s –1 ). The experimental and simulation platforms developed herein for photon management strategies can be leveraged by the semiconductor photocatalysis community to enhance solar-to-chemical conversion efficiencies in semiconductor nanowire arrays.

25 ENERGY STORAGE↗

NASA NTRS1999

Modeling the QBO and SAO Driven by Gravity Waves

Hines' Doppler spread parameterization (DSP) for small scale gravity waves (GW) is applied in a global scale numerical spectral model (NSM) to describe the semi-annual and quasi-biennial oscillations (SAO and QBO) as well as the long term interannual variations that are driven by wave mean flow interactions. This model has been successful in simulating the salient features observed near the equator at altitudes above 20 km, including the QBO extension into the upper mesosphere inferred from UARS measurements. The model has now been extended to describe also the mean zonal and meridional circulations of the upper troposphere and lower stratosphere that affect the equatorial QBO and its global scale extension. This is accomplished in part through tuning of the GW parameterization, and preliminary results lead to the following conclusions: (1) To reproduce the upwelling at equatorial latitudes associated with the Brewer/Dobson circulation that in part is modulated in the model by the vertical component of the Coriolis force, the eddy diffusivity in the lower stratosphere had to be enhanced and the related GW spectrum modified to bring it in closer agreement with the form recommended for the DSP. (2) To compensate for the required increase in the diffusivity, the observed QBO requires a larger GW source that is closer to the middle of the range recommended for the DSP. (3) Through global scale momentum redistribution, the above developments are conducive to extending the QBO and SAO oscillations to higher latitudes. Multi-year interannual oscillations are generated through wave filtering by the solar driven annual oscillation in the zonal circulation. (4) In a 3D version of the model, wave momentum is absorbed and dissipated by tides and planetary waves. Thus, a somewhat larger GW source is required to generate realistic amplitudes for the QBO and SAO.

Mayr, H. G.↗

DOE OSTI2023

Current fluctuations and domain depinning in quasi-two-dimensional charge-density-wave 1 T -TaS 2 thin films

We investigated the temperature dependence of the current fluctuations in thin films of the quasi-two-dimensional 1T-TaS 2 van der Waals material. The current fluctuations, determined from the derivative current–voltage characteristics of two-terminal 1T-TaS 2 devices, appear prominently at the electric fields that correspond to the transitions between various charge-density-wave macroscopic quantum condensate phases and at the onset of the depinning of the charge density wave domains. The depinning threshold field, ED, monotonically increases with decreasing temperature within the nearly commensurate charge-density-wave phase. The ED value increases with the decreasing 1T-TaS 2 film thickness, revealing the surface pinning of the charge density waves. Our analysis suggests that the domain depinning is pronounced in the nearly commensurate phase. It is induced by the electric field but facilitated by local heating. Furthermore, the measured trends for ED of the domain depinning are important for understanding the physics of charge density waves in quasi-two-dimensional crystals and for developing electronic devices based on this type of quantum materials.

2D materials↗