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At least 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Sheath transitions in a cylindrical filament discharge: Axisymmetric 1D3V PIC-MCC simulations

We present the first nonplanar hot cathode discharge simulations that capture the role of the trapped-ions plasma, elucidating new phenomena unobservable in planar geometric discharges. A discharge struck between a single emitting wire filament cathode and a bounding anode is simulated in cylindrical geometry using an axisymmetric (radial) particle-in-cell Monte-Carlo collisions code. Operating the discharge near its ionization energy threshold can lead to the formation of a two plasma mode (TPM). One plasma forms in the conventional upstream region through electron impact ionization of background neutrals. A second plasma, whose global effect on the discharge was not previously well understood, forms downstream through the trapping of cold ions in the potential well of the filament’s virtual cathode, a process enabled by ion-neutral charge exchange collisions. Three space charge regions intersperse the electrode gap—an emissive sheath between the cathode filament and trapped-ions plasma, a double layer between the two plasmas, and a classical sheath between the upstream plasma and the outer anode. Simulations exhibit mode transitions and quenching instabilities that transform the discharge between the TPM and other single-plasma sheath modes that include classical (temperature-limited), space charge limited, and inverse (anode glow) modes. The transitions are explained via “aid-and-compete” dynamics wherein the growth of one plasma enhances growth in the other while concurrently exhibiting expansion dynamics antagonistic to each other. The system exhibits strong hysteresis memory during the mode transitions. Improved understanding and control of these sheath mode transitions are expected to benefit plasma applications with hot cathodes.

Electrical hysteresis↗
NASA NTRS2001

Meteoric Ions in Planetary Ionospheres

Solar system debris, in the form of meteoroids, impacts every planet. The flux, relative composition and speed of the debris at each planet depends on the planet's size and location in the solar system. Ablation in the atmosphere evaporates the meteoric material and leaves behind metal atoms. During the ablation process metallic ions are formed by impact ionization. For small inner solar system planets, including Earth, this source of ionization is typically small compared to either photoionization or charge exchange with ambient molecular ions. For Earth, the atmosphere above the main deposition region absorbs the spectral lines capable of ionizing the major metallic atoms (Fe and Mg) so that charge exchange with ambient ions is the dominant source. Within the carbon dioxide atmosphere of Mars (and possibly Venus), photoionization is important in determining the ion density. For a heavy planet like Jupiter, far from the sun, impact ionization of ablated neutral atoms by impacts with molecules becomes a prominent source of ionization due to the gravitational acceleration to high incident speeds. We will describe the processes and location and extent of metal ion layers for Mars, Earth and Jupiter, concentrating on flagging the uncertainties in the models at the present time. This is an important problem, because low altitude ionosphere layers for the planets, particularly at night, probably consist predominantly of metallic ions. Comparisons with Earth will be used to illustrate the differing processes in the three planetary atmospheres.

Pesnell, W. D.↗
DOE OSTI2024

Selective phosphate removal with manganese oxide composite anion exchange membranes in membrane capacitive deionization

The discharge of excessive phosphorous into water bodies can lead to serious eutrophication threatening aquatic ecosystem. Membrane capacitive deionization (MCDI) is an effective platform for deionizing aqueous streams; however, conventional MCDI is unable to selectively remove targeted ions from a liquid mixture. Here, in this work, we fabricated manganese oxide composite anion exchange membranes (AEMs) for MCDI to enhance phosphate removal selectivity from sodium chloride-sodium dihydrogen phosphate (10:1 M ratio) aqueous mixtures. We systematically investigated several critical factors, such as constant current or voltage operation, applied voltage amount, process stream pH, and manganese oxide (Mn 2 O 3 ) content in the AEM, on phosphate removal efficiency and phosphate selectivity. A trade-off was observed between phosphate removal and selectivity when increasing the cell voltage. Under the best conditions, a MCDI unit with a 20 wt% Mn 2 O 3 composite AEM and a bipolar membrane facilitated high phosphate removal efficiency of ≥ 31.8 % and a phosphate over chloride selectivity of 1.1 while showing stability for at least 30 cycles. To help understand how Mn 2 O 3 composite AEM boosts phosphate selectivity, static electronic structure calculations were performed, and they revelated that hydrogen phosphate absorption on Mn 2 O 3 composite AEM was 314 kcal/mol more exothermic than that on pristine AEM while chloride adsorption on Mn 2 O 3 composite AEM was 2.2 kcal/mol less exothermic than that on a pristine AEM. Overall, this work presents an effective strategy for selectively removing phosphate from model wastewater solutions and the mechanistic understanding that governs ion selectivity in composite ion-exchange membranes used in MCDI.

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

Development of $\mathrm{AMOEBA}$ Polarizable Force Field for Rare-Earth La 3+ Interaction with Bioinspired Ligands

Rare-earth metals (REMs) are crucial for many important industries, such as power generation and storage, in addition to cancer treatment and medical imaging. One promising new REM refinement approach involves mimicking the highly selective and efficient binding of REMs observed in relatively recently discovered proteins. However, realizing any such bioinspired approach requires an understanding of the biological recognition mechanisms. In this report we developed a new classical polarizable force field based on the AMOEBA framework for modeling a lanthanum ion (La 3+ ) interacting with water, acetate, and acetamide, which have been found to coordinate the ion in proteins. The parameters were derived by comparing to high-level ab initio quantum mechanical (QM) calculations that include relativistic effects. The AMOEBA model, with advanced atomic multipoles and electronic polarization, is successful in capturing both the QM distance-dependent La 3+ –ligand interaction energies and experimental hydration free energy. A new scheme for pairwise polarization damping (POLPAIR) was developed to describe the polarization energy in La 3+ interactions with both charged and neutral ligands. Simulations of La3+ in water showed water coordination numbers and ion–water distances consistent with previous experimental and theoretical findings. Water residence time analysis revealed both fast and slow kinetics in water exchange around the ion. This new model will allow investigation of fully solvated lanthanum ion–protein systems using GPU-accelerated dynamics simulations to gain insights on binding selectivity, which may be applied to the design of synthetic analogues.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Magnetogenesis by Wave-driven Momentum Exchange

When multiple species interact with an electrostatic ion acoustic wave, they can exchange momentum, despite the lack of momentum in the field itself. Furthermore, the resulting force on the electrons can have a curl, and thus give rise to compensating electric fields with curl on magnetohydrodynamic timescales. As a result, a magnetic field can be generated. Surprisingly, in some astrophysical settings, this mechanism can seed magnetic fields with growth rates even larger than through the traditional Biermann battery.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Uncertainties in Atomic Data for Modeling Astrophysical Charge Exchange Plasmas

Relevant uncertainties of theoretical atomic data are vital to determining the accuracy of plasma diagnostics in a number of areas, including, in particular, the astrophysical study. We present a new calculation of the uncertainties on the present theoretical ion-impact charge exchange atomic data and X-ray spectra, based on a set of comparisons with the existing laboratory data obtained in historical merged-beam, cold-target recoil-ion momentum spectroscopy, and electron beam ion traps experiments. The average systematic uncertainties are found to be 35–88% on the total cross sections, and 57–75% on the characteristic line ratios. The model deviation increases as the collision energy decreases. The errors on total cross sections further induce a significant uncertainty to the calculation of ionization balance for low-temperature collisional plasmas. Substantial improvements of the atomic database and dedicated laboratory measurements are needed to obtain the current models, ready for the X-ray spectra from the next X-ray spectroscopic mission.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1990

Transition from ring to beam arc distributions of water ions near the Space Shuttle orbiter

The distribution function of water ions produced near the Space Shuttle by charge exchange between ionospheric oxygen ions and outgassed water molecules is studied. The transition from a ring to a beam arc distribution function is described. The number density of water ions is found to increase monotonically with decreasing distance from the Shuttle.

Cairns, Iver H.↗
DOE OSTI2026

Hydration structure and energetics of iron-exchanged montmorillonite

The interaction between iron released from corroded steel canisters and bentonite is a key process influencing the long-term performance of nuclear waste repositories. In particular, the migration of Fe²⁺ into montmorillonite (Mnt) interlayers may alter its hydration, swelling, and ion-transport properties. In the present study, molecular dynamics simulations were performed to investigate the hydration behavior, structural response, and transport properties of Fe-exchanged montmorillonite (Fe-Mnt) under varying hydration states. The simulations focus on short- to intermediate-time-scale Fe 2+ and Fe 3+ interlayer exchange and hydration effects, and do not consider long-term structural substitution, Fe-bearing clay phase stabilization, or secondary iron mineral precipitation. Systems containing Na + -, Fe 2+ -, and Fe 3+ -Mnt were examined using both periodic and edge-exposed configurations to evaluate interlayer structure, ion exchange, and free energy of Fe intercalation. The results show that Fe ions influence the interlayer spacing primarily at low water contents (<1 bilayer), where Fe-Mnt exhibits a d-spacing 1–2 Å larger than Na-Mnt due to stronger hydration. The calculated hydration energies follow the order Fe 2+ $<$Fe 3+ $<$Na + . Both water and ion diffusion coefficients decrease upon Fe ion intercalation, with Fe 2+ ions diffusing an order of magnitude more slowly than those of Na + . Free energy profiles further confirm that Fe 2+ and Fe 3+ ions are thermodynamically favored in the interlayer, with Fe 3+ being the most stable. In conclusion, these findings provide molecular-scale insights into the mechanisms of Fe–Na exchange and their implications for bentonite alteration in repository environments.

clay↗
NASA NTRS1979

Energetic oxygen - A direct coupling mechanism between the magnetosphere and thermosphere

The study investigates the effects of the precipitation of energetic O(+) ions (0.7 - 12 keV) into the atmosphere during magnetic storms. The energetic O(+) ion flux produces a splash of lower energy neutral oxygen atoms at the top of the atmosphere. As a result of the photo-ionization and charge exchange with H(+) ions in the plasmasphere, these backscattered atoms produce a low energy O(+) flux that is more than 10 times larger in magnitude than the original energetic O(+) flux. The energetic O(+) events thus provide a potential source mechanism for the lower energy (no greater than about 30 eV) O(+) ions observed in the plasmasphere. It is also suggested that the energetic ion events may be self-sustaining in that some of the ionized 'splash' particles (no greater than about 10%) are subsequently accelerated by an as yet unidentified mechanism to the higher observed energies. It is found that 96% of the incoming energy is transferred to the neutral atmosphere in the form of heating. Measured fluxes indicate heating rates as high as about 0.4 erg/sq cm/sec/ster.

Torr, M. R.↗
NASA NTRS1986

The influence of charge exchange on the velocity distribution of hydrogen in the Venus exosphere

The simulation of the exosphere of Venus by a Monte Carlo technique has been extended to provide velocity distribution profiles that can be used with radiative transfer simulation to model the Lyman-alpha emission seen by spacecraft. The line profiles show a narrow core due to the exobase thermal source of hydrogen superimposed on the broad profile of hot hydrogen from charge exchange with hot ions in the nighttime ionosphere. Nightside radial profiles show long tails of upward flowing, escaping atoms. There are some downward and lateral superescape signatures, because the charge exchange source extends well above the exobase. At higher altitudes, flattening and even shallow central valleys appear in the transverse profiles. The planetary average escape rate due to charge exchange was found to be 2.8 x 10 to the 7th/sq cm per s, which is several times larger than escape rates for other candidate mechanisms.

Hodges, Richard R., Jr.↗
DOE OSTI2020

Analysis of the inter-species power balance in JET plasmas

Most auxiliary heating methods provide heating to more than one particle species (electrons, ions, impurities) in a fusion plasma. This can lead to substantial temperature differences between species, depending on conditions such as heating power to the different species and collisionality, with temperature differences between species limited by inter-species thermal equipartition and transport. The analysis of the steady-state electron-ion and impurity-ion power balances presented in this paper are used for consistency-checking experimental ion and electron temperature measurements and for inferring the main ion temperature from measured impurity temperatures. As ion temperature measurements by charge exchange spectroscopy (CXS) based on impurity ions have become more difficult and time-consuming since the installation of the ITER-like wall (ILW) with Be and W PFC's, knowing the maximum sustainable temperature difference between ions and electrons, |T i -T e | allows rejecting erroneous measurements. It also obviates the need for an ion temperature measurement, if an electron temperature measurement is available and |T i - T e | cannot be larger than the combined errors of the underlying measurements. A power balance analysis is also required for estimating the errors of the ion and electron heat fluxes prior to any species-resolved transport analysis. The ion-impurity temperature differences are usually found to be small due to strong thermal equipartition between ion species. However, they can approach 10% in JET-ILW low density, high power discharges, such the ones under development for a future JET deuterium–tritium campaign (Joffrin et al 2019 Nucl. Fusion). This has a generally small, but not always negligible effect on the calculation of fusion reaction rates, which depend on main ion temperatures. An important outcome of this analysis is that temperature differences between impurity species are always much smaller than between the impurities and hydrogenic species and can usually be neglected. The article presents two methods for calculating the impurity-to-main ion temperature ratio. Finally, this analysis leads to a method for the reconstruction ion temperature profiles from ion temperature data available at only one or a small number of spatial locations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1984

Ring current dynamics and plasma sheet sources

The source of the energized plasma that forms in geomagnetic storm ring currents, and ring current decay are discussed. The dominant loss processes for ring current ions are identified as charge exchange and resonant interactions with ion-cyclotron waves. Ring current ions are not dominated by protons. At L4 and energies below a few tens of keV, O+ is the most abundant ion, He+ is second, and protons are third. The plasma sheet contributes directly or indirectly to the ring current particle population. An important source of plasma sheet ions is earthward streaming ions on the outer boundary of the plasma sheet. Ion interactions with the current across the geomagnetic tail can account for the formation of this boundary layer. Electron interactions with the current sheet are possibly an important source of plasma sheet electrons.

Lyons, L. R.↗
NASA NTRS1987

Average spatial distributions of energetic O(+), O(2+), O(6+), and C(6+) ions in the magnetosphere observed by AMPTE CCE

Measurements with the charge energy mass spectrometer of the AMPTE CCE spacecraft are used to determine the relative fluxes of these ions near the equatorial plane as a function of the drift shell parameter L, the magnetic activity index Kp, and the local time LT. The O(+) and O(2+) ions have radial profiles with maxima at about L = 5 and diurnal variations with a broad maximum on the dayside. The O(6+) and C(6+) ion fluxes increase with L between L = 5 and L = 7 and level off farther out. The diurnal variations of the relative O(6+) and C(6+) fluxes exhibit a pronounced minimum on the dayside. The observations can be interpreted in terms of ion convection from the tail onto quasi-trapped drift orbits and further radial diffusion onto closed drift shells. The maximum of the O(+) and O(2+) fluxes as well as the minimum of the O(6+) and C(6+) fluxes on the dayside can be explained by drift shell splitting. The inward transport is associated with ion losses, mainly by charge exchange. O(6+) and C(6+) ions are removed already at larger distances than O(+) and O(2+). As a result, the ionosphere contributes most of the oxygen ions in the magnetosphere. Important contributions from the solar wind are encountered in the outer magnetosphere.

Kremser, G.↗
NASA NTRS1989

Plasma density fluctuations observed during Space Shuttle Orbiter water releases

Observations by the Langmuir probe on the Plasma Diagnostics Package flown as part of the Spacelab 2 mission in the summer of 1985 show a strong increase in the level of turbulence near the Shuttle Orbiter during operations in which liquid water is released. The spectrum of the plasma density fluctuations peaks at the lowest frequencies measured (a few Hz) and extends up to a few kHz, near the lower hybrid frequency. Two potential mechanisms for generating the plasma turbulence are suggested which are both based on the production of water ions as a result of charge exchange with the ambient oxygen ions in the ionosphere. The first mechanism proposed is the ion-plasma instability which arises from the drift of the contaminant with respect to the ambient oxygen ions. The other mechanism proposed is the Ott-Farley instability, which is a result of the ring distribution formed by the 'pick-up' water ions.

Pickett, J. S.↗
NASA NTRS1980

Ion thruster plume effects on spacecraft surfaces

A charge-exchange plasma, generated by an ion thruster, is capable of flowing upstream from the ion thruster and therefore represents a source of contamination to a spacecraft. An analytical model of the charge-exchange plasma density around a spacecraft is used to estimate the contamination which various spacecraft materials may be exposed to. Measurements of plasma density around an ion thruster are compared to this model. Results of experimental studies regarding the effects on various spacecraft materials' properties due to exposure to expected mercury contamination levels are presented.

Carruth, M. R., Jr.↗
NASA NTRS1981

Ion thruster plume effects on spacecraft surfaces

A charge-exchange plasma, generated by an ion thruster, is capable of flowing upstream from the ion thruster and therefore represents a source of contamination to a spacecraft. An analytical model of the charge-exchange plasma density around a spacecraft was used to estimate the contamination which various spacecraft materials may be exposed to. Measurements of plasma density around an ion thruster were compared to this model. Results of experimental studied regarding the effects on various spacecraft materials' properties due to exposure to expected mercury contamination levels are presented.

Carruth, M. R., Jr.↗
DOE OSTI2026

Li + /H + Exchange in Solid-State Oxide Li-Ion Conductors

Understanding the moisture stability of oxide Li-ion conductors is important for their practical applications in solid-state batteries. Unlike sulfide or halide conductors, oxide conductors generally better resist degradation when in contact with water but can still undergo topotactic Li + /H + exchange (LHX). Here, we combine density functional theory (DFT) calculations with a machine-learning interatomic potential model to investigate the thermodynamic driving force of the LHX reaction for two representative oxide Li-ion conductor families: garnets and NASICONs. Li-stuffed garnets exhibit a strong driving force for proton exchange due to their high Li chemical potential. In contrast, NASICONs demonstrate a higher resistance against proton exchange due to the lower Li chemical potential and the lower O–H bond covalency for polyanion-bonded oxygens. Our findings reveal a critical trade-off: Li stuffing enhances conductivity but increases moisture susceptibility. This study underscores the importance of designing Li-ion conductors that possess both high conductivity and high stability in practical environments.

Li, Zhuohan [Lawrence Berkeley National Laboratory↗