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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Role of Cations in the Cation-Driven Assembly Process and their Effect on the Charge Storage Properties of Bilayered Vanadium Oxide and Reduced Graphene Oxide Heterostructures in Alkali Ion Systems

Exfoliated δ-Li x V 2 O 5 ·nH 2 O (ex-LVO) and reduced graphene oxide (rGO) heterostructures were constructed using different assembling cations (i.e., Li⁺, Na⁺, and K⁺ ions). The ex-LVO and rGO nanoflakes were stacked together using a concentrated chloride solution of each assembling cation and vacuum annealed at 200 °C to form three distinct two-dimensional (2D) layered architectures. X-ray diffraction and thermogravimetric analysis confirmed that the assembling ions can control the interlayer spacing of the bilayered vanadium oxide (BVO) phase as well as impact the crystallographic water content, which in turn affects the electrochemical performance. Scanning electron microscopy, scanning transmission electron microscopy (STEM), electron energy-loss spectroscopy (EELS), and X-ray photoelectron spectroscopy confirmed that a 2D heterointerface formed between LVO and rGO and that the cations used to assemble the heterostructure are trapped in the interlayer BVO region. High-resolution STEM imaging also showed the rGO dispersion throughout the LVO layers. Moreover, STEM-EELS identified a V 2 O 3 phase that forms along the rGO interface and can stabilize the materials during cycling. A charge storage mechanism analysis, combined with the galvanostatic intermittent titration technique, found that increased interlayer spacings of the BVO phase and using the assembling cations to define intercalation sites for identical charge-carrying ions lead to improved ion diffusion and increased capacities during cycling. Therefore, the Li⁺ and Na⁺ ion assembled heterostructures showed improved charge-carrying ion diffusion and charge storage capacities in each of their respective charge storage systems (i.e., Li-ion and Na-ion half-cells). In total, the cation used for heterostructure assembly can modify the final material structure and tailor the ion diffusion and charge storage capacity to tune its properties for the desired electrochemical system using a variety of 2D materials.

25 ENERGY STORAGE↗
DOE OSTI2020

Ion separations with membranes

Ion separations are important for resource recovery, water treatment, and energy production and storage. Techniques such as chemical precipitation, selective adsorption, and solvent extraction are effective, but membranes may separate ions continuously with less waste and lower energy costs. Separation of monovalent and multivalent ions with nanofiltration or electrodialysis membranes already enables water softening and edible salt purification. Similar membranes are attractive as separators in vanadium redox flow batteries. Selective partitioning of divalent counter-ions into ion-exchange membranes even allows transport of these ions against their concentration gradients in salt mixtures. However, separations of ions with the same charge is more challenging. Recent research demonstrated highly selective ion “sieving” at small scales. Here, separations using electrical potentials and differences in ion electrophoretic mobilities are promising, but relatively unexplored. Carrier-mediated transport affords high selectivity in liquid membranes, but these systems are not very stable, and selective transport via hopping between anchored carriers has proven elusive. Finally, this paper discusses how concentration polarization decreases selectivities in many membrane processes. Although development of selective, inexpensive ion-separation membranes is a work in progress, successes in water softening and edible salt purification suggests that future selective membranes will serve as complementary methods to traditional purification techniques.

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

Ion Conductivity and Correlations in Model Salt-Doped Polymers: Effects of Interaction Strength and Concentration

Correlated anion and cation motion can greatly reduce the overall ion conductivity in electrolytes versus the ideal conductivity calculated based on the diffusion constants alone. Using coarse-grained molecular dynamics simulations, we calculate conductivity and the degree of uncorrelated ion motion in salt-doped homopolymers and block copolymers as a function of concentration and interaction strengths. Calculating conductivity from ion mobility under an applied electric field increases accuracy versus the typical use of fluctuation dissipation relationships in equilibrium simulations. In typical electrolytes, correlation in cation-anion motion is often expected to be reduced at low ion concentrations. Yet, for these polymer electrolytes with strong ion-polymer and ion-ion interactions, we find cation-anion motion is more correlated at lower concentrations when other variables are held constant. We show this phenomenon is related to the slower ion cluster relaxation rate at low concentrations rather than the static spatial state of ion aggregation or the fraction of free ions.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Multi‐Species Energy‐Banded Ions in the Ionosphere During the 21 January 2005 Magnetic Storm: Low‐Altitude Edge of the Warm Plasma Cloak

During the 21–22 January 2005 magnetic storm, the FAST satellite observed warm (< few keV) ions in discrete energy bands on the dayside at ∼3,000 km altitude for more than 6.5 hr. We suggest that the ionospheric energy-banded ions represent the low-altitude edge of the warm plasma cloak observed simultaneously by magnetospheric satellites. This is a clear example of the multi-species ion energy bands (10 eV to several keV) observed during strong magnetic storms by the FAST satellite, stretching from the diffuse auroral region to the plasmapause with lifetimes up to 12 hr. The close association of these energy-banded ions with magnetic storms, their broad latitudinal extent, and the presence of multiple ion species in the same energy band, rather than at the same velocity, indicate that this is a distinct phenomenon from other types of energy-banded ions. During the 21–22 January 2005 magnetic storm, the dayside ion energy band structures, centered at 10 eV (H + ), 40 eV (H + and He + ), and 160 eV (H + , He + , and O + ), were consistent with a “time-of-flight and velocity filter” formation process acting on a near-cusp, impulsive outflow of a <200 eV multi-species ion-source population, poleward and in the same hemisphere as FAST. Understanding the sources and dynamics of warm energy-banded ions and their linkage to the warm plasma cloak is important because during superstorms these ions are transported to L values as low as L ∼ 1.2 in the dawn sector, significantly altering the energetics of the mid-latitude ionosphere.

58 GEOSCIENCES↗
DOE OSTI2025

Probing the influence of ion-pairing on ligand-field excited-state dynamics

Exploration of the photophysical and photochemical properties of transition metal complexes has driven ground-breaking advancements in solar energy conversion technologies, including photoredox catalysis. While significant research has been devoted to understanding excited state properties of second- and third-row transition metal complexes, earth-abundant first-row metal complexes have received comparatively little attention in this context until very recently. In particular, the role of ion-pairing – which has been identified as a potentially significant factor for Ir(III)-based photosensitizers – has not been examined with regard to its influence on the ligand-field excited states that dominate much of first-row photophysics. A key challenge in studying ion-pair interactions lies in quantifying the extent and nature of ion-pairing, particularly in non-aqueous media where the vast majority of photophysical studies are performed. Cobalt(III) polypyridyl complexes provide an attractive platform to address such questions due to their demonstrated potential for applications in photoredox catalysis involving ligand-field excited states. In the present study, we prepared a cobalt(III) polypyridyl complex, [Co(4,4′-OMebpy) 3 ](BAr F 4 ) 3 (where 4,4′-OMebpy is 4,4′-dimethoxy-2,2′-bipyridine and BAr F 4 is tetrakis(3,5-bis(trifluoromethyl)-phenyl)borate) to probe ion-pairing in non-aqueous solutions. Specifically, analysis of data acquired from both variable-temperature diffusion ordered spectroscopy (DOSY) NMR and 1-D rotating-frame nuclear Overhauser effect (ROE) experiments allowed us to identify and differentiate between solvent-separated ion pairs in high-dielectric media and contact ion pairs in a low-dielectric solvent. Time-resolved absorption spectroscopy was then used to measure ground-state recovery dynamics under these varying conditions of ion-pairing, the results of which revealed an increase in excited-state lifetime for contact ion-pairs that we suggest arises from a reduction in outer-sphere reorganization energy relative to conditions which favored solvent-separated ion pairs. We believe this study demonstrates that one can leverage broadly available NMR-based methods to understand ion-pairing in non-aqueous solutions, which in turn can provide a microscopic picture of intermolecular interactions that can impact the photophysical properties of transition metal-based chromophores.

Ghosh, Atanu [Michigan State University, East Lans↗
DOE OSTI2026

Search for active and inactive ion insertion sites in organic crystalline materials

The position of mobile active and inactive ions, specifically ion insertion sites, within organic crystals, significantly affects the properties of organic materials used for energy storage and ionic transport. Identifying the positions of these atomic (and ionic) sites in an organic crystal is challenging, especially when the element has low X-ray scattering power, such as lithium (Li) and hydrogen, which are difficult to detect by powder X-ray diffraction. First-principles calculations, exemplified by density functional theory (DFT), are very practical for confirming the relative stability of ion positions in materials. However, the lack of effective strategies to identify ion sites in these organic crystalline frameworks renders this task extremely challenging. This work presents two algorithms: the (i) efficient location of ion insertion sites from extrema in electrostatic local potential and charge density (ELIISE), and the (ii) ElectRostatic InsertioN (ERIN), which leverage charge density and electrostatic potential fields accessed from first-principles calculations, combined with the Simultaneous Ion Insertion and Evaluation (SIIE) workflow. SIIE inserts all ions simultaneously—to determine ion positions in organic crystals. We demonstrate that these methods accurately reproduce known ion positions in 16 organic materials and identify previously overlooked low-energy sites in tetralithium 2,6-naphthalenedicarboxylate (Li4NDC), an organic electrode material, highlighting the importance of inserting all ions simultaneously, as in the SIIE workflow. These algorithms are also integrated with off-the-shelf machine learning potentials, yielding promising results comparable to first-principles findings.

Gopidi, Harshan Reddy [Argonne National Laboratory↗
DOE OSTI2020

Inferring thermal ion temperature and residual kinetic energy from nuclear measurements in inertial confinement fusion implosions

In inertial con finement fusion implosion experiments, the presence of residual anisotropic fluid motion within the stagnating hot spot leads to signifi cant variations in ion-temperature measurements using neutron time- of-flight detectors along different lines of sight. The minimum ion-temperature measurement is typically used as representative of the thermal temperature. In the presence of isotropic flows, however, even the minimum DT neutron-inferred ion temperature can be well above the plasma thermal temperature. Using both DD and DT neutron-inferred ion-temperature measurements, we show that it is possible to determine the contribution of isotropic flows and infer the DT burn-averaged thermal ion temperature. The contribution of large isotropic flows on driving the ratio of DD to DT neutron-inferred ion temperatures well below unity and approaching the lower bound of 0.8 is demonstrated in multimode simulations. The minimum DD neutron- inferred ion temperature is determined from the velocity variance analysis, accounting for the presence of isotropic flows. Being close to the DT burn-averaged thermal ion temperature, the inferred DD minimum ion temperatures demonstrate a strong correlation with the experimental yields in the OMEGA implosion database. An analytical expression is also derived to explain the effect of mode ℓ = 1 ion-temperature measurement asymmetry on yield degradations caused by the anisotropic flows.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Modelling the Alfvén eigenmode induced fast-ion flow measured by an imaging neutral particle analyzer

An imaging neutral particle analyzer (INPA) provides energy and radially resolved measurements of the confined fast-ion population ranging from the high-field side to the edge on the midplane of the DIII-D tokamak. In recent experiments, it was used to diagnose fast-ion flow in the INPA-interrogated phase-space driven by multiple, marginally unstable Alfvén eigenmodes (AEs). Here, the key features of this measured fast-ion flow are: (I) a fast-ion flow from q min and the injection energy (81 keV) towards lower energies and plasma periphery.(II) A flow from the same location towards higher energies and the plasma core, (III) a phase-space 'hole' at the injected energy and plasma core and (IV) a pile-up at the plasma core at lower energies (~60 keV). Ad hoc energetic particle diffusivity modelling of TRANSP significantly deviates from the observation. Comparably, a reduced modelling, i.e. a combination of NOVA-K and ASCOT5 code with the measured mode structure and amplitude, generally reproduce some key features of the observed phase-space flow, but largely failed to interpret fast ion depletion near the plasma axis. At last, self-consistent, first-principle multi-phase hybrid simulations that include realistic neutral beam injection and collisions are able to reproduce most features of the time-resolved phase-space flow. During consecutive hybrid phases, an RSAE consistent with the experiment grows and saturates, redistributing the injected fast ions. The resulting synthetic INPA images are in good agreement with the measurement near the injection energy. The simulations track the fast-ion redistribution within the INPA range, confirming that the measured fast-ion flow follows streamlines defined by the intersection of phase-space surfaces of constant magnetic moment μ and constant E' = nE + ωP φ , where n and ω are the instability toroidal mode number and frequency, and E and P φ the ion energy and toroidal canonical momentum. Nonperturbative effects are required to reproduce the depletion of fast ions near the magnetic axis at the injection energy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Effects of collisional ion orbit loss on tokamak radial electric field and toroidal rotation in an L-mode plasma

Abstract Ion orbit loss has been used to model the formation of a strong negative radial electric field E r in the tokamak edge, as well as edge momentum transport and toroidal rotation. To quantitatively measure ion orbit loss, an orbit-flux formulation has been developed and numerically applied to the gyrokinetic particle-in-cell code XGC. We study collisional ion orbit loss in an axisymmetric DIII-D L-mode plasma using gyrokinetic ions and drift-kinetic electrons. Numerical simulations, where the plasma density and temperature profiles are maintained through neutral ionization and heating, show the formation of a quasisteady negative E r in the edge. We have measured a radially outgoing ion gyrocenter flux due to collisional scattering of ions into the loss orbits, which is balanced by the radially incoming ion gyrocenter flux from confined orbits on the collisional time scale. This suggests that collisional ion orbit loss can shift E r in the negative direction compared to that in plasmas without orbit loss. It is also found that collisional ion orbit loss can contribute to a radially outgoing (counter-current) toroidal-angular-momentum flux, which is not balanced by the toroidal-angular-momentum flux carried by ions on the confined orbits. Therefore, the edge toroidal rotation shifts in the co-current direction on the collisional time scale.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1972

Metallic ions in the equatorial ionosphere

Four positive ion composition measurements of the equatorial E region made at Thumba, India, are presented. During the day, the major ions between 90 and 125 km are NO(+) and O2(+). A metallic ion layer centered at 92 km is observed, and found to contain Mg(+), Fe(+), Ca(+), K(+), Al(+), and Na(+) ions. The layer is explained in terms of a similarly shaped latitude distribution of neutral atoms which are photoionized and charge-exchanged with NO(+) and O2(+). Three body reactions form molecular metallic ions which are rapidly lost by dissociative ion-electron recombination. Nighttime observations show downward drifting of the metallic ion layer caused by equatorial dynamo effects. These ions react and form neutral metals which exchange charges with NO(+) and O2(+) to produce an observed depletion of those ions within the metallic ion region.

Aikin, A. C.↗
NASA NTRS1980

Propagation of charge-exchange plasma produced by an ion thruster

A charge-exchange plasma is produced downstream of ion thrusters by collisions between energetic ions and neutrals escaping through the ion optics. The charge-exchange ions flow radially from the thruster beam due to electric fields produced by its density gradient. The propagation of the charge-exchange plasma after it leaves the thruster beam is the subject of this paper. Under the proper conditions there is an 'end-effect' of a long, cylindrical Langmuir probe which allows a significant increase in collected ion current when the probe is aligned with a flowing plasma. This effect is used to determine the charge-exchange plasma flow direction at various locations relative to the ion thruster. A portion of the charge-exchange plasma flows upstream of the ion thruster and can represent a contamination source to electrically propelled spacecraft. The ion current collected by the probe as a function of its angle with respect to the plasma flow allows determination of the plasma density and plasma flow velocity at the probe's location upstream of the ion thruster optics. The density value obtained from the ion current agree to within a factor of two of density values obtained by typical voltage-current Langmuir probe characteristics.

Carruth, M. R., Jr.↗
NASA NTRS1982

Erosion of frozen sulfur dioxide by ion bombardment - Applications to Io

The erosion of frozen SO2 due to bombardment by both light and heavy ions (He and F) was measured for bombarding energies of 0.08 to 1.3 MeV/amu. The number of SO2 molecules ejected from the target per incident ion (i.e., the sputtering yield) was 50 for 1.5 MeV He ions and 7300 for 6 MeV F ions. Ion bombardment followed by heating produced an oxygen/sulfur residue which was much more stable against subsequent ion bombardment than the initial frozen SO2. The erosion rate of SO2 frost on Jupiter's moon Io depends strongly on the elemental composition and energy spectra of the magnetospheric ion flux which bombards the surface. The combined effects of ion bombardment and heating which produced residues on the target substrates may also occur on Io from magnetospheric ion bombardment and heating by volcanism. The experimental results compare favorably with a new model of the sputtering process which considers the energy loss of the incident ion to electronic excitation in the target.

Melcher, C. L.↗
NASA NTRS1983

Energetic ion acceleration and transport in the upstream region of Jupiter - Voyager 1 and 2

Long-lived upstream energetic ion events at Jupiter appear to be very similar in nearly all respects to upstream ion events at earth. A notable difference between the two planetary systems is the enhanced heavy ion compositional signature reported for the Jovian events. This compositional feature has suggested that ions escaping from the Jovian magnetosphere play an important role in forming upstream ion populations at Jupiter. In contrast, models of energetic upstream ions at earth emphasize in situ acceleration of reflected solar wind ions within the upstream region itself. Using Voyager 1 and 2 energetic ion measurements near the magnetopause, in the magnetosheath, and immediately upstream of the bow shock, the compositional patterns are examined together with typical energy spectra in each of these regions. Characteristic spectral changes are found late in ion events observed upstream of the bow shock at the same time that heavy ion fluxes are enhanced and energetic electrons are present. A model involving upstream Fermi acceleration early in events and emphasizing energetic particle escape in the prenoon part of the Jovian magnetospehre late in events is presented to explain many of the features in the upstream region of Jupiter.

Baker, D. N.↗
NASA NTRS1985

Experimental performance of a microwave cavity plasma disk ion source

The detailed description and performance characteristics of a microwave ion source are presented. This ion source utilizes an internally tuned, single-mode (or selective multimode) cylindrical cavity applicator to focus and match microwave energy into a disk-shaped discharge zone. The combination of mode focus control and variable, internal cavity matching allows the efficient operation and beam extraction over a wide range of pressures, powers and gaseous inputs. Experimental measurements of ion beam current versus accelerating voltage and input microwave power in xenon and oxygen gas are presented. Ion source specific energy and mass utilization versus experimental variables are also determined. The experimental performance demonstrates the ability of this ion source to extract an ion beam with a well matched, stable, and continuous operation over a wide range of input gases, low pressures, and over input gas flow rates in excess of 100 to a few sccm. Double Langmuir probe measurements in xenon gas indicate high degrees of ionization, and electron and ion concentrations in excess of 100 critical densities in the microwave discharge zone. This ion source has many potential uses such as spacecraft electric propulsion, material ion beam processing, and neutral beam ion sources.

Root, J.↗
NASA NTRS1988

Simulation of electrostatic turbulence in the plasma sheet boundary layer with electron currents and bean-shaped ion beams

Plasma data from ISEE-1 show the presence of electron currents as well as energetic ion beams in the plasma sheet boundary layer. Broadband electrostatic noise and low-frequency electromagnetic bursts are detected in the plasma sheet boundary layer, especially in the presence of strong ion flows, currents, and steep spacial gradients in the fluxes of few-keV electrons and ions. Particle simulations have been performed to investigate electrostatic turbulence driven by a cold electron beam and/or ion beams with a bean-shaped velocity distribution. The simulation results show that the counterstreaming ion beams as well as the counterstreaming of the cold electron beam and the ion beam excite ion acoustic waves with a given Doppler-shifted real frequency. However, the effect of the bean-shaped ion velocity distributions reduces the growth rates of ion acoustic instability. The simulation results also show that the slowing down of the ion bean is larger at the larger perpendicular velocity. The wave spectra of the electric fields at some points of the simulations show turbulence generated by growing waves.

Nishikawa, K.-I.↗
NASA NTRS1988

Transverse ion heating in multicomponent plasmas along auroral zone field lines

This paper considers plasma modes that can occur in a multicomponent plasma, such as an O(+)-H(+) plasma, along auroral zone field lines and the effect of these plasma modes on heavy-ion acceleration. A simulation study of ion heating by ion cyclotron, lower hybrid, and ion-ion hybrid waves is conducted using parameters that pertain to different regions of the aurora. Three different auroral regions are identified, in which various types of heating occur; these regions are distinguished by the plasma conditions found there and by the instability that would be expected to be dominant in the ion-heating process. It is shown that, when a small amount of helium ions are added into the predominantly hydrogen and oxygen plasma, two ion-ion hybrid modes exist: hydrogen-helium and oxygen-helium modes (in addition to the lower hybrid mode). The effect of ion heating by these wave modes is discussed.

Ashour-Abdalla, Maha↗
NASA NTRS1990

Upward ion flow in ionospheric holes on Venus

The nature of ion flow within two ionospheric holes on the nightside of Venus was investigated using ion composition measurements made by the ion mass spectrometer on the Pioneer Venus Orbiter. A comparison of the altitude profiles of the observed ion densities with those expected under diffusive equilibrium conditions indicates that the major ions O(+), NO(+), and O2(+), as well as the minor ions H(+) and He(+) flow upward and away from Venus along the axes of the holes. This result agrees with a quantitative evaluation of the ion flow speeds appearing in expressions derived from the equations for conservation of mass and momentum of the ions and electrons. The analysis shows that all ion species flow upward in the holes because the upward force produced by the plasma pressure gradient exceeds all downward forces. However, the nature of the ion source required to maintain such flow is not known.

Hartle, R. E.↗
NASA NTRS1991

Combined energy and pitch angle diffusion of pickup ions at Comet Halley

It is well known that cometary pickup ions, e.g., H2O(+), OH(+), O(+), CO(+), H(+), initially form a ring-beam distribution in the solar wind reference frame, which is highly unstable to the growth of MHD waves (such as ion-cyclotron waves). The low-frequency magnetic fluctuations (or waves), which were observed upstream of Comet Halley, cannot only pitch-angle-scatter the pickup ions so that the distribution becomes at least partially isotropized, but also stochastically accelerate the ions, resulting in the energetic ion populations observed in the vicinity of Comet Halley. Here, numerical solutions of the quasi-linear diffusion equation were used to investigate the cometary ion pickup process at Comet Halley. Both pitch angle and energy diffusion are taken into account. Many quasi-linear models of cometary pickup ions exist which involve one type of diffusion or the other but not both types at once. It is found that the pitch angle scattering occurs faster than the energy diffusion, as expected. Moreover, the results demonstrate that the distribution of accelerated energetic ions is more isotropic than that of ions which have just been picked up. In fact, the ion distribution function on the initial pickup shell is quite anisotropic, even close to the Comet-Halley bow shock.

Ye, Gang↗