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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Equivalent equilibrium ion distributions in ion sources and beams

Ion sources and ion beams often contain ions of more than one charge-to-mass ratio, due to the presence of multiple ionization states and/or multiple atomic and molecular ion species in the source. We show that, under certain conditions, analysis of these systems can be simplified using the notion of “equivalent equilibrium ion distributions” (EEIDs). These distributions have identical ion trajectories, space-charge distributions, and electric-field distributions, but can be composed of ion species with arbitrary charge-to-mass ratios. We use this result to obtain multi-species generalizations for the perveance of an ion diode, which relates the diode voltage to the extracted beam current, and for the perveance of a drifting ion beam, which determines the axial length-scale for beam expansion due to the self-electric field. Applied to a quasi-neutral plasma ion source containing cold ions and hot electrons, we find that the location of the beam-plasma interface (meniscus), where ions are extracted from the plasma, depends on the electron density and ion energy per unit charge at the interface, independent of the ion composition. For certain types of numerical simulations, EEIDs allow one to calculate the beam optics of an intense multi-species ion source by doing a simulation for a single ion species with an artificial charge-to-mass ratio chosen to minimize computation time. We illustrate these results using the 3D particle-in-cell, finite-element code Aleph. The simulations show how ions in a plasma source self-consistently accelerate to the supersonic speed needed for steady, radially expanding flow. Multi-species equilibria are subject to streaming instabilities because, while the different species have the same kinetic energy per unit charge, their velocities scale with the square root of the charge-to-mass ratio. The simulations show that a strong ion streaming instability can occur in a multi-species plasma ion source.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Dependence of ion-cyclotron range of frequencies instabilities on species mix and fast-ion distribution: I. Stability

Ion cyclotron emission (ICE) driven by fast ions has the potential to be a reactor relevant diagnostic of confined and escaping fast ions; moreover, controlled experiments in magnetic fusion devices can shed light on similar magnetospheric instabilities below and above the ion cyclotron frequency f ci . Dedicated DIII-D experiments studied instabilities below f ci and at cyclotron harmonics l f ci by injecting thirteen different neutral beam populations into plasmas with different thermal compositions of H, D, and 3He at five different values of toroidal field. High-frequency magnetic loops diagnose mode properties. Each beam type is individually injected for an approximate slowing-down time (~100 ms), resulting in a database of 2529 conditions that are analyzed in frequency bands corresponding to ICE harmonics and < f ci global Alfvén eigenmodes. The sub-cyclotron modes are more unstable at low field and in plasmas with large H concentration. For D injection, first harmonic ICE at f cD is more unstable in hydrogen plasmas but, for H injection, the converse is true (ICE at f cH is more unstable in D), suggesting that thermal same-species ions damp fundamental ICE. ICE stability also depends upon the pitch-angle anisotropy gradient and upon the ‘bump-on-tail’ gradient ∂f/∂v. Although the frequency of unstable ICE in these plasmas always occurs near the central cyclotron frequency, the precise value also depends on the Alfvén speed and beam direction, consistent with the idea that instability occurs for modes that simultaneously satisfy ω ≃ 2πlf ci , the magnetosonic dispersion relation, and the Doppler-shifted resonance condition.

electromagnetic ion cyclotron instabilities↗
DOE OSTI2025

Product ion distributions using H 3 O + proton-transfer-reaction time-of-flight mass spectrometry (PTR-ToF-MS): mechanisms, transmission effects, and instrument-to-instrument variability

Abstract. Proton-transfer-reaction mass spectrometry (PTR-MS) using hydronium ion (H3O+) ionization is widely used for the measurement of volatile organic compounds (VOCs) both indoors and outdoors. H3O+ ionization, as well as the associated chemistry in an ion–molecule reactor, is known to generate product ion distributions (PIDs) that include other product ions besides the proton-transfer product. We present a method, using gas-chromatography pre-separation, for quantifying PIDs from PTR-MS measurements of nearly 100 VOCs of different functional types including alcohols, ketones, aldehydes, acids, aromatics, organohalides, and alkenes. We characterize instrument configuration effects on PIDs and find that reactor reduced electric field strength (E/N), ion optic voltage gradients, and quadrupole settings have the strongest impact on measured PIDs. Through an interlaboratory comparison of PIDs measured from calibration cylinders, we characterized the variability of PID production from the same model of PTR-MS across seven participating laboratories. Product ion variability was generally smaller (e.g., < 20 %) for ions with larger contributions to the PIDs (e.g., > 0.30) but less predictable for product ions formed through O2+ and NO+ reactions. We present a publicly available library of H3O+ PTR-MS PIDs that will be updated periodically with user-provided data for the continued investigation into instrument-to-instrument variability of PIDs.

Link, Michael F. (ORCID:0000000218412455)↗
DOE OSTI2025

Dependence of ion-cyclotron range of frequencies instabilities on species mix and fast-ion distribution: II. Time evolution

Dedicated DIII-D experiments studied instabilities below the ion cyclotron frequency f ci and at cyclotron harmonics by injecting thirteen different neutral beam populations into plasmas with different thermal compositions of H and D at five different values of toroidal field. The resulting database of 2529 conditions is described in Part 1: Stability. This paper focuses on the temporal evolution. For some beam geometries, the ion cyclotron emission (ICE) is much stronger at the beginning of injection, suggesting the importance of ‘bump-on-tail’ energy drive. Sawtooth crashes cause the emission to cease for some beam types and emission bands, but the opposite effect occurs for others. When unstable, for virtually all conditions and frequency bands, the emission bursts in a cycle reminiscent of predator-prey oscillations. Evidence for nonlinear interaction between ICE harmonics is observed. Strongly unstable modes typically appear within 1 ms from the start of beam injection and often decay within 0.1 ms when the beam turns off, but both the initial rise and final decay of the mode power exhibit a wide variety of behavior.

electromagnetic ion cyclotron instabilities↗
DOE OSTI2025

Dependence of ion-cyclotron range of frequencies instabilities on species mix and fast-ion distribution: III. Novel sub-cyclotron modes

Dedicated DIII-D experiments studied instabilities above and below the ion cyclotron frequency by injecting thirteen different neutral beam populations into L-mode plasmas with different thermal compositions of H, D, and 3 He at five different values of toroidal field. Two companion papers describe the results of these experiments in detail. This paper focuses on data and analysis of two instabilities that occur at ${\sim}0.6$ of the deuterium and hydrogen cyclotron frequencies $f_\mathrm {cD}$ and $f_\mathrm {cH}$ in mixed hydrogen and deuterium plasmas. The modes below $f_\mathrm {cD}$ are often driven unstable by deuterium beams but are rarely destabilized by hydrogen beams. The modes below $f_\mathrm {CD}$ are reported here for the first time in a fusion plasma. These $\mathrm{sub-}f_\mathrm {cH}$ modes are only driven by deuterium beams but, unlike the $\mathrm{sub-}f_\mathrm {cD}$ modes, they are only unstable in plasmas with deuterium concentrations that are ${\lesssim}20\%$; they also have a smaller amplitude than the sub-deuterium modes. Addition of fully-ionized 3 He to the plasma has little effect on the sub-cyclotron deuterium modes but is stabilizing for the sub-cyclotron hydrogen modes. The modes are excited in the core and have toroidal mode numbers around 20. These trends are compared with calculations of the growth rate in a simplified model. The theory successfully predicts global Alfvén eigenmode instability with frequencies and mode numbers close to experimental values, the stronger amplitude of the sub-deuterium modes, and the species-mix dependence of the sub-hydrogen modes. Increased damping associated with the ion-ion hybrid, cutoff, and crossover frequencies plausibly accounts for the stabilization of the $\mathrm{sub-}f_\mathrm {cH}$ modes when 3 He is puffed. However, the relative stability of $\mathrm{sub-}f_\mathrm {cH}$ modes during hydrogen injection remains unexplained.

electromagnetic ion cyclotron instability↗
DOE OSTI2026

Ion Distribution and Cation Exchange at Mica–Electrolyte Interfaces Probed with Deep Potential Molecular Dynamics

Here, we investigate the Stern layer structure and cation exchange mechanism at muscovite mica-electrolyte interfaces using nanosecond timescale molecular dynamics simulations based on deep neural network interatomic potentials trained on Density Functional Theory (DFT) data. Focusing on mica with exposed surface K + interfaced with aqueous NaCl and mica with surface Na + interfaced with KCl solution, we find that K + remains predominantly in inner-sphere configurations, while Na + exhibits notable populations in outer-sphere states. Most importantly, our simulations show that contact with an electrolyte solution results in the co-adsorption of multiple cation species, making the mica surface locally overcharged and thus reshaping the cation speciation in a manner that enhances the tendency of neighboring surface cations to desorb. These findings are consistent with recent experimental observations that co-adsorption of different cation species induces changes in cation speciation and slow kinetics of cation exchange at the muscovite-water interface, providing a basis for their detailed understanding.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Proton Cyclotron Waves and Pickup Ion Ring Distribution Instabilities Upstream of Mars

Proton cyclotron waves (PCWs) upstream of Mars are thought to be associated with the instabilities of pickup ions. The instabilities of pickup ions of ring distributions have larger maximum growth rates compared with beam distributions. However, observations revealed a notably‐reduced occurrence rate of PCWs for pickup ions of ring distributions. Linear instability analysis and a corresponding two‐dimensional particle‐in‐cell (PIC) simulation are performed to investigate the instabilities of pickup ion ring distributions upstream of Mars. Linear instability analysis indicates that a pickup ion ring distribution is unstable to the ion cyclotron, ion Bernstein, and mirror instabilities. The corresponding PIC simulation confirms the linear analysis results and further demonstrates that the pickup ions are scattered toward an isotropic shell distribution by the waves excited. Interestingly, the saturation energy of the waves is much lower than that driven by a corresponding pickup ion beam distribution, and mirror waves eventually dominate the system.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Planar laser-induced fluorescence system for spatiotemporal ion velocity distribution function measurements

In this work, we present a planar laser-induced fluorescence (PLIF) system for measuring two-dimensional (2D), spatiotemporally resolved ion velocity distribution functions (IVDFs). A continuous-wave tunable diode laser produces a laser sheet that irradiates the plasma, and the resulting fluorescence is captured by an intensified CCD (ICCD) camera. Fluorescence images recorded at varying laser wavelengths are converted into 2D IVDFs using the Doppler shift principle. The developed diagnostic is implemented in an electron beam generated E × B plasma with a bulk plasma density of $\sim\!\!{10^{10}}{\text{c}}{{\text{m}}^{ - 3}}$ . The developed diagnostic is validated against a conventional single-point LIF method using photomultiplier tube-based detection, while significantly reducing the total measurement time by the number of spatial positions measured. The time-resolving capability of this diagnostic is tested by oscillating the plasma between two nominal operating modes with different density profiles and triggering the ICCD camera by the externally driven plasma oscillation. The measured 2D IVDF maps reveal several signatures of ion dynamics in this plasma source, including radially outflowing ions across the electric field and anomalous ion heating at the periphery, consistent with recent kinetic simulations and theoretical studies. A possible correlation between these ion kinetic features and rotating spoke structures is discussed.

E×B plasma↗
DOE OSTI2025

Recombination of Autodissociated Water Ions in a Nanoscale Pure Water Droplet

The recombination of water ions has diverse scientific and practical implications, ranging from acid-base chemistry and biological systems to planetary environments and applications in fuel cell and carbon conversion technologies. While spatial confinement affects the physicochemical properties of water dynamics, its impact on the recombination process has rarely been studied. In this work, we investigate the dynamics of water, the water ion distribution, and the ion recombination process in water droplets as a function of droplet size through molecular dynamics simulations and adaptive quantum mechanical/molecular mechanical calculations. We compare the dynamics of recombination in water droplet sizes ranging from 100 to 18 000 waters, both in their interiors and on their surfaces. We found that the self-diffusion of water dramatically decreases in droplets with a diameter below 2.2 nm. Using a classical RexPoN force-field, we found that the ions in 1000 H2O's spend almost 50% of the time on the surface and 0.5 nm beneath it with a slight preference for OH- ion to reside longer on the surface. We estimate that, on average, recombination in these drops occurs at 400 ps in 1000 H2O's and 1 ns in 3000 H2O's. We also found that recombination is not limited by the local structure of the surface or the size of the droplet but can be influenced by the geometry of the water wire connecting the ions as they approach each other, which can often prevent recombination. Our results provide insights to the reaction microenvironments presented by nanoscopic water droplets.

Kwon, Soonho↗
DOE OSTI2025

Spatially resolved measurements of plasma ion velocity distributions in a dipole magnetic field

The equilibrium flows of a plasma discharge in a dipole magnetic field are a topic of interest in low temperature plasma physics. Experimentalists typically rely on probe-based and line-integrated diagnostic techniques in these environments to describe plasma behavior. Presented here are measurements of argon ion dynamics with laser induced fluorescence techniques to provide insight into plasma dynamics in dipole magnetic fields with nonperturbative, spatially localized measurements. Simulation results from a Lagrangian approach to track particle orbits are compared to measured density profiles and provide evidence to support the mechanism distinguishing experimental configurations is the initial approach of particles. Applying a negative DC bias to the magnet induces strong E×B flows around the magnet, even exceeding the ion acoustic speed as measured far from the magnet. A strong enough bias also produces two distinct ion populations and provides a method for controlling the density gradient on the equator.

McLaughlin, Jacob W. (ORCID:0000000152661888)↗
DOE OSTI2025

Drift-cyclotron loss-cone instability in 3-D simulations of a sloshing-ion simple mirror

The kinetic stability of collisionless, sloshing beam-ion (45° pitch angle) plasma is studied in a three-dimensional (3-D) simple magnetic mirror, mimicking the Wisconsin high-temperature superconductor axisymmetric mirror experiment. The collisional Fokker–Planck code CQL3D-m provides a slowing-down beam-ion distribution to initialize the kinetic-ion/fluid-electron code Hybrid-VPIC, which then simulates free plasma decay without external heating or fuelling. Over 1 – 10 μs, drift-cyclotron loss-cone (DCLC) modes grow and saturate in amplitude. The DCLC scatters ions to a marginally stable distribution with gas-dynamic rather than classical-mirror confinement. Sloshing ions can trap cool (low-energy) ions in an electrostatic potential well to stabilize DCLC, but DCLC itself does not scatter sloshing beam-ions into the said well. Instead, cool ions must come from external sources such as charge-exchange collisions with a low-density neutral population. Manually adding cool ∼1keV ions improves beam-ion confinement several-fold in Hybrid-VPIC simulations, which qualitatively corroborates prior measurements from real mirror devices with sloshing ions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Stability analysis of Alfvén eigenmodes excited by ion cyclotron resonance heating on EAST

Alfvén wave instabilities driven by energetic particles are common in fusion devices. Understanding their behavior is essential for the good confinement of fusion plasma. For this purpose, a series of experiments are performed on EAST to investigate the excitation of toroidal Alfvén eigenmodes (TAEs). Experimentally, it was found that AEs with frequencies around 80, 134, 157 kHz are excited by ion cyclotron resonance heating (ICRH) hydrogen minority heating scenario. Moreover, the excitation of AEs is independent of the wall-coating materials, but determined with the generation and confinement of the fast ions. Statistical analysis suggests that the TAEs can only be excited when the ICRH power is larger than 2 MW and the H 98 factor is larger than 1.15. In line with the experiments, a set of simulations using TORIC, ASCOT, and NOVA-C is performed. The simulation results show that with the experimental density profile and safety factor, the measured TAE with frequency of 134 kHz is well reproduced by taking into account the plasma toroidal rotation frequency. However, the appearance of the 80 kHz mode cannot be captured in the simulations. The ICRH-generated fast hydrogen ions mainly have banana orbits and that their perpendicular velocity is much larger than that of the parallel ions. The stability analysis with NOVA-C suggests that the radial gradient of the fast H ion distribution is the only driving source of TAEs. For TAEs locate in the center of Alfvén continuum, the D ion Landau damping is the dominant damping term; For most other TAEs which have intersections with the continuum boundary, the continuum damping becomes the dominant damping mechanism.

Alfvén eigenmodes↗
DOE OSTI2026

Numerical assessment of the impact of the guiding-centre approximation on fast ion simulations in NSTX

Guiding-centre (GC) and full-orbit (FO) simulations of the beam-injected fast ion distribution and the corresponding neutron emissivity have been carried out for magnetohydrodynamics-quiescent National Spherical Torus eXperiment (NSTX) plasmas, using a combination of ASCOT5 and DRESS, to assess the suitability of the GC approximation for fast ions in NSTX. It was found that GC and FO simulations predicted substantially different steady-state distributions in both position and velocity space and different neutron emissivity profiles, leading to a 15% reduction in the predicted global neutron rate for FO relative to GC. These changes accompany a higher magnetic moment in FO, and correspond to a change in particle orbits from co-passing to trapped and stagnation orbits. ASCOT5 was also benchmarked against TRANSP/NUBEAM with input loaded entirely from TRANSP/NUBEAM output files, with agreement found between the GC simulations when finite Larmor radius (FLR) corrections were omitted. ASCOT5 FO and TRANSP/NUBEAM with FLR produced fast ion distributions which differed in localised regions, but predicted global neutron rates which agree within 3%.

ASCOT↗
DOE OSTI2026

Machine learning surrogates for ion energy–angle distributions in thermal and RF plasma sheaths

Ion energy–angle distributions (IEADs) at material surfaces are a critical input for plasma–material interaction (PMI) studies in fusion devices, yet they are computationally expensive to obtain using particle-in-cell (PIC) simulations. In this work, we develop a machine learning surrogate based on a deep deconvolutional neural network (DDeCNN) trained on large databases generated with the hPIC2 code. The surrogate is capable of reconstructing IEADs from sheath parameters for both thermal and radio-frequency (RF) plasmas, including cases with multiple ion species. Across thousands of test cases, the model achieves high accuracy, with over 97 % of predictions classified as good or average based on standard error metrics (MAE, MSE, L2). Even in the more challenging RF and multi-species regimes, the surrogate reliably captures the multi-peak structure of PIC results. Once trained, the surrogate produces IEADs in milliseconds on a common workstation, yielding speedups of six to seven orders of magnitude compared with running a full PIC simulation. This computational gain enables dense parameter scans and direct coupling of IEAD predictions with PMI and erosion models on whole-device scales in fusion-relevant conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Chemical ionization mass spectrometry utilizing benzene cations for measurements of volatile organic compounds and nitric oxide

We evaluate the capability of chemical ionization mass spectrometry (CIMS) using benzene cations as reagent ions (benzene CIMS) for detecting atmospheric trace gases. We characterize the ionization pathways and product ion distributions for 27 analytes spanning diverse chemical classes. To interpret the complex ion chemistry involving two reagent ions (C 6 H$^{+}_{6}$ and (C 6 H 6 )$^{+}_{2}$) and multiple ionization pathways (charge transfer, proton transfer, adduct formation, and hydride abstraction), we introduce a thermodynamics-based framework that classifies analytes into three categories based on their ionization energy (IE), relative to those of benzene monomer (9.24 eV) and dimer (8.69 eV). Each class exhibits distinct ionization mechanisms and product ions. Analytes with IE smaller than 8.69 eV (low IE) undergo charge transfer with both reagent ions; analytes with IE between 8.69 and 9.24 eV (mid IE) undergo charge transfer with C 6 H$^{+}_{6}$ and potential adduct formation with (C 6 H 6 )$^{+}_{2}$; analytes with IE larger than 9.24 eV (high IE) could undergo adduct formation, proton transfer, or hydride abstraction. Analytes within each class also show similar sensitivity, enabling sensitivity estimation for compounds lacking calibration standards. In addition to volatile organic compounds (VOCs), benzene CIMS detects nitric oxide (NO) with a detection limit of 5 pptv for 1 min integration time, exceeding the performance of most commercial NOx analyzers. Field deployments in Chicago and St. Louis demonstrate good agreement with reference NO measurements. Isoprene measurements show good agreement with a co-located gas chromatography–photoionization detector (GC-PID) in St. Louis, but exhibit substantial positive bias in Chicago, likely due to interferences from anthropogenic VOCs in the polluted urban environment. These results highlight the potential of benzene CIMS for concurrent measurements of NO, VOCs, and their oxidation products using a single instrument, while also underscoring challenges in complex atmospheric conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗