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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1980

Energy dependence and temporal evolution of the He-3/He-4 ratios in heavy-ion-rich energetic particle events

A study is presented of the energy dependence of the He-3/He-4 between 0.44 and 4.1 MeV per nucleon for six heavy-ion-rich events observed in 1974 and 1976. The observations were made using the low-energy dE/dx vs E Ultralow-Energy Particle telescope on IMP 8. It was found that all selected heavy-ion-rich events are also enriched in He-3: that the He-3/He-4 ratio decreases with decreasing energies; and that a rapid temporal evolution of the He-3/He-4 and the Fe/(H + He) ratios is strongly correlated during one event with the maximum value at the onset. These results are analyzed in terms of a model based on the preferential injection of He-3 and Fe resulting from turbulent ion heating and subsequent Fermi acceleration.

Moebius, E.↗
DOE OSTI2026

Development of a deep potential model for F and CF 2 etching of Si and SiO 2

An understanding of plasma-surface interactions at increasingly smaller scales is invaluable for the development of novel technologies and processing techniques. Molecular dynamics (MD) simulations can provide insights into atomic-scale interactions, though they are restricted by the availability of interatomic potentials. Machine learning methods, such as Deep Potential Molecular Dynamics (DeepMD), provide a systematic framework for the development of accurate and flexible ab initio-based models. In this work, we develop DeepMD models for the ion-enhanced etching of Si and SiO 2 by F and CF 2 radicals. We employ an active learning process to expand the data set on which the model is trained and demonstrate its effect on the model accuracy. The DeepMD results are compared to data from classical MD simulations and experiments. Physical sputtering yields of SiO 2 by Ar + ions show good agreement with previous simulation results using conventional interatomic potentials, though the predicted depth profiles are different. Etching yields are calculated as a function of ion energy and neutral to ion flux ratio for the Ar + ion-enhanced etching of SiO 2 and Si by F atoms, as well as for etching of SiO 2 by CF 2 radicals, showing reasonable agreement with experimental data. Finally, an ion-enhanced surface kinetic model is fitted to the DeepMD etch yields, and the fitted parameters are compared to quantities computed directly from DeepMD simulations. This study illustrates how molecular dynamics simulations using machine learning potentials can provide an accurate model of etching processes relevant to device manufacturing.

Kounis-Melas, Andreas [Princeton Univ., NJ (United↗
NASA NTRS1988

Statistical study of ion flows in the dayside and nightside plasmasphere

A statistical survey of ion flows has been performed with the DE-1 high-altitude plasma instrument during a period of solar maximum conditions. The results indicate that a significant dayside to nightside interhemispheric flow occurs in the outer plasmasphere during periods of increased magnetic activity along convecting magnetic field lines. The ion temperature is found to decrease steadily equatorward into the outer plasmasphere. Although ion abundance ratios obtained using the retarding ion mass spectrometer show that the predominant ion species was H(+), relatively large densities of O(+) were observed in the plasmasphere on several passes.

Menietti, J. D.↗
DOE OSTI2024

Electron Heating in the Transrelativistic Perpendicular Shocks of Tilted Accretion Flows

Abstract General relativistic magnetohydrodynamic (GRMHD) simulations of black hole tilted disks—where the angular momentum of the accretion flow at large distances is misaligned with respect to the black hole spin—commonly display standing shocks within a few to tens of gravitational radii from the black hole. In GRMHD simulations of geometrically thick, optically thin accretion flows, applicable to low-luminosity sources like Sgr A* and M87*, the shocks have transrelativistic speed, moderate plasma beta (the ratio of ion thermal pressure to magnetic pressure is β pi1 ∼ 1–8), and low sonic Mach number (the ratio of shock speed to sound speed is M s ∼ 1–6). We study such shocks with 2D particle-in-cell simulations, and we quantify the efficiency and mechanisms of electron heating for the special case of preshock magnetic fields perpendicular to the shock direction of propagation. We find that the postshock electron temperature T e2 exceeds the adiabatic expectation T e2,ad by an amount T e 2 / T e 2 , ad − 1 ≃ 0.0016 M s 3.6 , nearly independent of the plasma beta and of the preshock electron-to-ion temperature ratio T e1 / T i1 , which we vary from 0.1 to unity. We investigate the heating physics for M s ∼ 5–6 and find that electron superadiabatic heating is governed by magnetic pumping at T e1 / T i1 = 1, whereas heating by B -parallel electric fields (i.e., parallel to the local magnetic field) dominates at T e1 / T i1 = 0.1. Our results provide physically motivated subgrid prescriptions for electron heating at the collisionless shocks seen in GRMHD simulations of black hole accretion flows.

Astronomy & Astrophysics↗
NASA NTRS1989

Stability of H(+) beams in the polar wind

The effect of energetic H(+) beams on the stability of the polar wind in the classical model is studied with regard to the excitation of electrostatic waves. Consideration is given to cases covering a wide range of electron-to-background temperature ratios and beam-to-background ion density ratios, assuming a relatively cold beam. The minimum beam drift velocity required to destabilize the plasma is determined by a combination of the Nyquist technique and a direct solution of the plasma dispersion equation. It is found that the plasma can be destabilized for relative drift energies less than about 1 eV. Also, it is shown that the plasma is less stable for large electron temperatures and for comparable ion and beam densities.

Barakat, A. R.↗
DOE OSTI2024

EF-Hand Battle Royale: Hetero-ion Complexation in Lanmodulin

The lanmodulin (LanM) protein has emerged as an effective means for rare earth element (REE) extraction and separation from complex feedstocks without the use of organic solvents. Whereas the binding of LanM to individual REEs has been well characterized, little is known about the thermodynamics of mixed metal binding complexes (i.e., heterogeneous ion complexes), which limits the ability to accurately predict separation performance for a given metal ion mixture. In this paper, we employ the law of mass action to establish a theory of perfect cooperativity for LanM-REE complexation at the two highest-affinity binding sites. The theory is then used to derive an equation that explains the nonintuitive REE binding behavior of LanM, where separation factors for binary pairs of ions vary widely based on the ratio of ions in the aqueous phase, a phenomenon that is distinct from single-ion-binding chemical chelators. We then experimentally validate this theory and perform the first quantitative characterization of LanM complexation with heterogeneous ion pairs using resin-immobilized LanM. Importantly, the resulting homogeneous and heterogeneous constants enable accurate prediction of the equilibrium state of LanM in the presence of mixtures of up to 10 REEs, confirming that the perfect cooperativity model is an accurate mechanistic description of REE complexation by LanM. We further employ the model to simulate separation performance over a range of homogeneous and heterogeneous binding constants, revealing important insights into how mixed binding differentially impacts REE separations based on the relative positioning of the ion pairs within the lanthanide series. In addition to informing REE separation process optimization, these results provide mathematical and experimental insight into competition dynamics in other ubiquitous and medically relevant, cooperative binding proteins, such as calmodulin.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Plasma Focused Ion Beam Milling of High-Aspect-Ratio Holes in Diamond

Plasma focused ion beam (PFIB) technology has a great potential for applications requiring rapid micro-machining of high-aspect-ratio features. Here, we use 30-keV Ar, Xe, and O 2 ion beams to study PFIB milling of high-aspect-ratio circular holes in polycrystalline diamond. Our results show that Xe and O 2 ion beams have the highest milling efficiency for low-aspect-ratio and high-aspect-ratio hole milling, respectively. Each ion beam species produces holes with its characteristic shape and wall surface morphology. In conclusion, based on these results, we demonstrate a “hybrid” hole milled in a two-step process with Xe and O 2 ion beams with the geometry and wall morphology attractive for the attachment of a fuel fill tube to the inertial confinement fusion capsule.

ICF targets↗
DOE OSTI2021

Assessment of TMT Labeling Efficiency in Large-Scale Quantitative Proteomics: The Critical Effect of Sample pH

Isobaric labeling via tandem mass tag (TMT) reagents enables sample multiplexing prior to LC–MS/MS, facilitating high-throughput large-scale quantitative proteomics. Consistent and efficient labeling reactions are essential to achieve robust quantification; therefore, embedded in our clinical proteomic protocol is a quality control (QC) sample that contains a small aliquot from each sample within a TMT set, referred to as “Mixing QC.” This Mixing QC enables the detection of TMT labeling issues by LC–MS/MS before combining the full samples to allow for salvaging of poor TMT labeling reactions. While TMT labeling is a valuable tool, factors leading to poor reactions are not fully studied. We observed that relabeling does not necessarily rescue TMT reactions and that peptide samples sometimes remained acidic after resuspending in 50 mM HEPES buffer (pH 8.5), which coincided with low labeling efficiency (LE) and relatively low median reporter ion intensities (MRIIs). To obtain a more resilient TMT labeling procedure, we investigated LE, reporter ion missingness, the ratio of mean TMT set MRII to individual channel MRII, and the distribution of log 2 reporter ion ratios of Mixing QC samples. We discovered that sample pH is a critical factor in LE, and increasing the buffer concentration in poorly labeled samples before relabeling resulted in the successful rescue of TMT labeling reactions. Moreover, resuspending peptides in 500 mM HEPES buffer for TMT labeling resulted in consistently higher LE and lower missing data. By better controlling the sample pH for labeling and implementing multiple methods for assessing labeling quality before combining samples, we demonstrate that robust TMT labeling for large-scale quantitative studies is achievable.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Deep potential molecular dynamics simulations of ion-enhanced etching of silicon by atomic chlorine

The continued development of plasma-assisted processing techniques requires a fundamental understanding of plasma-surface interactions. Molecular dynamics (MD) simulations have been employed to complement experimental studies and better understand the properties of such systems. Recently, machine learning (ML) methods have enabled the development of ab initio-based interatomic potentials, which can be generalized to complex combinations of multiple atom types. In this work, we use ML potentials developed using the Deep Potential Molecular Dynamics (DeepMD) framework to provide a model of ion-enhanced etching of Si by Cl atoms. We demonstrate the importance of proper selection of the training data set to the accuracy of the DeepMD model and compare our results to MD results using empirical potentials, as well as to experimental measurements. Exposure of undoped Si at 300 K to thermal Cl atoms yields a steady-state Cl coverage of 1.25 monolayers, which is slightly lower than the value obtained in previous experimental studies. Predictions of Si etch yields by simultaneous Cl atom and Ar + ion impacts as a function of ion energy, neutral to ion flux ratio, and angle of incidence of the ions are in reasonably good agreement with classical MD results and experimental measurements. Finally, etch yields and SiCl x mixed layer thicknesses during simultaneous bombardment of the Si(100) surface by Cl atoms and Cl + ions are in good agreement with experimental data. In conclusion, the present work is a necessary condition for the extension of the DeepMD procedure to more complex systems of interest in plasma-surface interactions.

Artificial neural networks↗
NASA NTRS1987

Relativistic electromagnetic waves in an electron-ion plasma

High power laser beams can drive plasma particles to relativistic energies. An accurate description of strong waves requires the inclusion of ion dynamics in the analysis. The equations governing the propagation of relativistic electromagnetic waves in a cold electron-ion plasma can be reduced to two equations expressing conservation of energy-momentum of the system. The two conservation constants are functions of the plasma stream velocity, the wave velocity, the wave amplitude, and the electron-ion mass ratio. The dynamic parameter, expressing electron-ion momentum conversation in the laboratory frame, can be regarded as an adjustable quantity, a suitable choice of which will yield self-consistent solutions when other plasma parameters were specified. Circularly polarized electromagnetic waves and electrostatic plasma waves are used as illustrations.

Chian, Abraham C.-L.↗
NASA NTRS1986

Neutral oxygen and sulfur densities in the Io torus

Ultraviolet spectra (1150-1750 A) of the Io torus, obtained using a rocket-borne telescope and spectrometer in May 1981, show emissions of neutral sulfur and neutral oxygen, as well as ionic emissions of S II, S III, and S IV. The emissions are observed almost 180 deg from the location of the satellite Io and imply the existence of an extended neutral atomic cloud associated with the torus. In the present work, neutral densities and ion mixing ratios are derived by modeling the observations using torus electron temperature and density profiles proportional to those at the time of the Voyager 1 encounter. The model includes the effects of photoexcitation, which can be considerable if the neutral cloud is large enough. At the time of the observation, substantial densities of neutral oxygen and neutral sulfur are found in regions of the torus far from Io. These lower limits on the neutral densities are compared to theoretical models of the neutral source, and the ion mixing ratios are compared to IUE observations of the torus obtained over a period of 5 yr. Arguments that tend to rule out Europa as the source of the neutral emission are also presented.

Skinner, T. E.↗
NASA NTRS2002

Measurement of Doubly Charged Ions in Ion Thruster Plumes

The ratio of doubly to singly charged ions was measured in the plumes of a 30 cm and of a 40 cm ion thruster. The measured ratio was correlated with observed erosion rates and thruster operating conditions. The measured and calculated erosion rates paralleled variation in the j(sup ++)/j(sup +) ratio and indicated that the erosion was dominated by Xe III. Simple models of cathode potential surfaces which were developed in support of this work were in agreement with this conclusion and provided a predictive capability of the erosion given the ratio of doubly to singly charged ion currents.

Williams, George J., Jr.↗
DOE OSTI2021

Simulations of ion heating due to ion-acoustic instabilities in presheaths

Particle-in-cell, direct simulation Monte Carlo simulations reveal that ion-acoustic instabilities excited in presheaths can cause significant ion heating. Ion-acoustic instabilities are excited by the ion flow toward a sheath when the neutral gas pressure is small enough and the electron temperature is large enough. A series of 1D simulations were conducted in which neutral plasma (electrons and ions) was uniformly sourced with an ion temperature of 0.026 eV and different electron temperatures (0.1 eV–50 eV). Ion heating was observed when the electron-to-ion temperature ratio exceeded the minimum value predicted by linear response theory to excite ion-acoustic instabilities at the sheath edge (T e /T i ≈ 28). When this threshold was exceeded, the temperature equilibration rate between ions and electrons rapidly increased near the sheath so that the local temperature ratio did not significantly exceed the threshold for instability. This resulted in significant ion heating near the sheath edge, which also extended back into the bulk plasma; presumably due to wave reflection from the sheath. Furthermore, this ion-acoustic wave heating mechanism was found to decrease for higher neutral pressures, where ion-neutral collisions damp the ion-acoustic waves and ion heating is instead dominated by inelastic collisions in the presheath.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1980

Ion extraction from a plasma

An experimental investigation of the physical processes governing ion extraction from a plasma is presented. The screen hole plasma sheath of a multiaperture ion accelerator system is defined by equipotential plots for a variety of accelerator system geometries and operating conditions. A sheath thickness of at least fifteen Debye lengths is shown to be typical. The electron density variation within the sheath satisfies a Maxwell Boltzmann density distribution at an effective electron temperature dependent on the discharge plasma primary to Maxwellian electron density ratio. Plasma ion flow up to and through the sheath is predominately one dimensional and the ions enter the sheath with a modified Bohm velocity. Low values of the screen grid thickness to screen hole diameter ratio give good ion focusing and high extracted ion currents because of the effect of screen webbing on ion focusing.

Aston, G.↗
DOE OSTI2024

Kinetic simulations comparing quasi-parallel and quasi-perpendicular piston-driven collisionless shock dynamics in magnetized laboratory plasmas

Magnetized collisionless shocks are common in astrophysical systems, and scaled versions can be created in laboratory experiments by utilizing laser-driven piston plasmas to create these shocks in a magnetized background plasma. A key parameter for these experiments is the angle θB between the shock propagation direction and the background magnetic field. We performed quasi-1D piston-driven shock simulations to explore shock formation, evolution, and key observables relevant to laboratory experiments for a range of shock angles between θB=90° to θB=30°. Our results show that the spatial and temporal scales of shock formation for all angles considered are similar when expressed in terms of the perpendicular component of the magnetic field. In a steady state, ion and electron temperatures become more isotropic, and the electron-to-ion temperature ratio is higher for smaller θB. At θB=30°, ion heating parallel to the magnetic field becomes dominant, associated with more ions being reflected at one discontinuity and subsequently trapped by the next discontinuity due to shock reformation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2022

Preferential Acceleration of Heavy Ions in a Spontaneously Fragmenting Flare Current Sheet

We study the ion acceleration in a mesoscale, spontaneously fragmenting flare current sheet (SFCS) characterized by the presence of a plasmoid cascade. The main subject of our investigation is to determine whether and how plasmoid cascades at intermediate scales in a fragmented current sheet of a solar flare can impact the (preferential) acceleration of specific ions. The time evolution of the SFCS is obtained from high-resolution 2.5D MHD simulations. The ion trajectories (in the background fields resulting from the MHD model), energies, and pitch angles are calculated using a relativistic test-particle code based on the half-acceleration–rotation–half-acceleration method. For light ions, the main acceleration effects of electromagnetic fields within the SFCS are analyzed using the guiding center approximation. We identify regions with the most-efficient ion acceleration within the SFCS, the accelerator efficiency, and spectra of the accelerated ions. The influence of the charge-to-mass ratio on ion behavior is also studied and resulting ion abundances are compared with observational data. The main ion acceleration takes place in the regions with a strong polarization term, which is part of the first-order Fermi acceleration. Because the term is mass dependent, heavier ions undergo preferential acceleration. The ion energy spectra, abundance-enhancement factors, and differential fluxes, obtained from the model, exhibit power-law profiles, in agreement with observed solar energetic particle events. Nonetheless, the obtained slopes for the abundance-enhancement factor do not exactly match the observed data. The computed slopes and profiles are not sensitive to changes in the initial plasma temperature.

David Kramoliš↗
NASA NTRS1980

Forbidden lines of np/q/ ions. I - Detailed balance and line intensity ratios

The detailed balance equations are solved in the ground state terms of 37 ions of C, N, O, Ne, Mg, Si, S and Fe; atomic data for 235 transitions of these ions are tabulated, and 14 line ratios of q = 2,4 ions and eight line ratios of q = 3 ions are graphed. Forbidden emission lines of these ions are in the far and near UV, visible, and near and far IR regions of the spectrum. In addition, detailed calculations of the relative populations of the levels of the ground state are presented as a function of temperature and density.

Kafatos, M.↗