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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Insights into the structure and dynamics of K + ions at the muscovite–water interface from machine learning potential simulations

The surfaces of many minerals are covered by naturally occurring cations that become partially hydrated and can be replaced by hydronium or other cations when the surface is exposed to water or an aqueous solution. These ion exchange processes are relevant to various chemical and transport phenomena, yet elucidating their microscopic details is challenging for both experiments and simulations. Here, in this work, we make a first step in this direction by investigating the behavior of the native K + ions at the interface between neat water and the muscovite mica (001) surface with ab-initio -based machine learning molecular dynamics and enhanced sampling simulations. Our results show that the desorption of the surface K + ions in pure ion-free water has a significant free energy barrier irrespective of their local surface arrangement. In contrast, facile K + diffusion between mica’s ditrigonal cavities characterized by different Al/Si orderings is observed. This behavior suggests that the K + ions may favor a dynamic disordered surface arrangement rather than complete desorption when exposed to deionized water.

Ab-initio molecular dynamics↗
DOE OSTI2022

Measuring recoiling nucleons from the nucleus with the future Electron Ion Collider

Short range correlated nucleon-nucleon (NN) pairs are an important part of the nuclear ground state. They are typically studied by scattering an electron from one nucleon in the pair and detecting its spectator correlated partner (spectator-nucleon tagging). The Electron Ion Collider (EIC)should be able to detect these nucleons, since they are boosted to high momentum in the lab frame by the momentum of the ion beam. To determine the feasibility of these studies with the planned EIC detector configuration, we have simulated quasi-elastic scattering for two electron and ion beam energy configurations: 5 GeV electrons and 41 GeV/A ions, and 10 GeV electrons and 110 GeV/A ions. We show that the knocked-out and recoiling nucleons can be detected over a wide range of initial nucleon momenta. We also show that these measurements can achieve much larger momentum transfers than current fixed target experiments. By detecting both low and high initial-momentum nucleons,the EIC will provide the data that should allow scientists to definitively show if the EMC effect and short-range correlation are connected, and to improve our understanding of color transparency

Hauenstein, F. (ORCID:0000000212652212)↗
DOE OSTI2015

Existence domains of slow and fast ion-acoustic solitons in two-ion space plasmas

A study of large amplitude ion-acoustic solitons is conducted for a model composed of cool and hot ions and cool and hot electrons. Using the Sagdeev pseudo-potential formalism, the scope of earlier studies is extended to consider why upper Mach number limitations arise for slow and fast ion-acoustic solitons. Treating all plasma constituents as adiabatic fluids, slow ion-acoustic solitons are limited in the order of increasing cool ion concentrations by the number densities of the cool, and then the hot ions becoming complex valued, followed by positive and then negative potential double layer regions. Only positive potentials are found for fast ion-acoustic solitons which are limited only by the hot ion number density having to remain real valued. The effect of neglecting as opposed to including inertial effects of the hot electrons is found to induce only minor quantitative changes in the existence regions of slow and fast ion-acoustic solitons.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Long-pulse production of high current negative ion beam by using actively temperature controlled plasma grid for JT-60SA negative ion source

The temperature control system of the large-size plasma grid has been developed to realize the long pulse production of high-current negative ions for JT-60SA. By using this prototype system for the JT-60SA ion source, 15 A negative ions has been sustained for 100 s for the first time, which is three times longer than that obtained in JT-60U. In this system, a high-temperature fluorinated fluid with a high boiling point of 270 degree Celsius is circulated in the cooling channels of the plasma grids (PG) where a cesium (Cs) coverage is formed to enhance the negative ion production. Because the PG temperature control had been applied to only 10% of the extraction area previously, the prototype PG with the full extraction area (110 cm × 45 cm) was developed to increase the negative ion current in this time. In the preliminary results of long pulse productions of high-current negative ions at a Cs conditioning phase, the negative ion production was gradually degraded in the last half of 100 s pulse where the temperature of an arc chamber wall was not saturated. From the spectroscopic measurements, it was found that the Cs flux released from the wall might affect to the negative ion production, which implied the wall temperature should be kept low to control the Cs flux to the PG for the long-pulse high-current production. The obtained results of long-pulse production and the PG temperature control method contributes the design of the ITER ion source.

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

Nitrogen ion implantation into various materials using 28 GHz electron cyclotron resonance ion source

The installation of the 28 GHz electron cyclotron resonance ion source (ECRIS) ion implantation beamline was recently completed at the Korea Basic Science Institute. The apparatus contains a beam monitoring system and a sample holder for the ion implantation process. The new implantation system can function as a multipurpose tool since it can implant a variety of ions, ranging hydrogen to uranium, into different materials with precise control and with implantation areas as large as 1–10 mm{sup 2}. The implantation chamber was designed to measure the beam properties with a diagnostic system as well as to perform ion implantation with an in situ system including a mass spectrometer. This advanced implantation system can be employed in novel applications, including the production of a variety of new materials such as metals, polymers, and ceramics and the irradiation testing and fabrication of structural and functional materials to be used in future nuclear fusion reactors. In this investigation, the first nitrogen ion implantation experiments were conducted using the new system. The 28 GHz ECRIS implanted low-energy, multi-charged nitrogen ions into copper, zinc, and cobalt substrates, and the ion implantation depth profiles were obtained. SRIM 2013 code was used to calculate the profiles under identical conditions, and the experimental and simulation results are presented and compared in this report. The depths and ranges of the ion distributions in the experimental and simulation results agree closely and demonstrate that the new system will enable the treatment of various substrates for advanced materials research.

36 MATERIALS SCIENCE↗
DOE OSTI2016

A singly charged ion source for radioactive {sup 11}C ion acceleration

A new singly charged ion source using electron impact ionization has been developed to realize an isotope separation on-line system for simultaneous positron emission tomography imaging and heavy-ion cancer therapy using radioactive {sup 11}C ion beams. Low-energy electron beams are used in the electron impact ion source to produce singly charged ions. Ionization efficiency was calculated in order to decide the geometric parameters of the ion source and to determine the required electron emission current for obtaining high ionization efficiency. Based on these considerations, the singly charged ion source was designed and fabricated. In testing, the fabricated ion source was found to have favorable performance as a singly charged ion source.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

A 1D Model of Radial Ion Motion Interrupted by Ion–Neutral Interactionsin a Cometary Coma

Because ion–neutral reaction cross sections are energy dependent, the distance from a cometary nucleus within which ions remain collisionally coupled to the neutrals is dictated not only by the comet’s activity level but also by the electromagnetic fields in the coma. Here we present a 1D model simulating the outward radial motion of water group ions with radial acceleration by an ambipolar electric field interrupted primarily by charge transfer processes with H{sub 2}O. We also discuss the impact of plasma waves. For a given electric field profile, the model calculates key parameters, including the total ion density, n {sub I}, the H{sub 3}O{sup +}/H{sub 2}O{sup +} number density and flux ratios, R {sub dens} and R {sub flux}, and the mean ion drift speed, 〈u{sub I}〉, as a function of cometocentric distance. We focus primarily on a coma roughly resembling that of the ESA Rosetta mission target comet 67P/Churyumov–Gerasimenko near its perihelion in 2015 August. In the presence of a weak ambipolar electric field in the radial direction the model results suggest that the neutral coma is not sufficiently dense to keep the mean ion flow speed close to that of the neutrals by the spacecraft location (∼200 km from the nucleus). In addition, for electric field profiles giving n {sub I} and 〈u{sub I}〉 within limits constrained by measurements, the R {sub dens} values are significantly higher than values typically observed. However, when including the ion motion in large-amplitude plasma waves in the model, results more compatible with observations are obtained. We suggest that the variable and often low H{sub 3}O{sup +}/H{sub 2}O{sup +} number density ratios observed may reflect nonradial ion trajectories strongly influenced by electromagnetic forces and/or plasma instabilities, with energization of the ion population by plasma waves.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Influences of Mg Ions and Al Ions on Deposition Behavior of Supersaturated Silicic Acid - 20261

Silicic acid can change into various species such as deposit, colloidal, and soluble form under certain conditions: for example, gradual pH changes around geological disposal repositories. In particular, silicic acid deposits narrow groundwater flow paths, thereby restricting the flow of groundwater. Such effects may contribute to a delay in radionuclide migration. Previous studies have reported that silicic acid supersaturated in sodium and calcium ions can narrow the flow paths. This study examined the effect of magnesium (Mg) and aluminum (Al) ions on the deposition of supersaturated silicic acid on the solid phase. The deposition behavior of supersaturated silicic acid on the solid phase was investigated in a batch system while changing the initial supersaturation concentration, the coexisting ion concentration, and the amount of added solid phase. In the presence of Mg ions, silicic acid precipitation increased with increasing Mg ion concentration due to the influence of the electrolyte, and crosslinking reactions. The coexistence of Al ions significantly suppressed silicic acid deposition due to the formation of a covering on the solid surface during Al ion hydrolysis under conditions of high Al concentration (1.4 mM). On the basis of these experimental results, the apparent deposition rate constant of silicic acid was estimated to be in the range from 10{sup -11} to 10{sup -10} m/s. The Damkoehler number (the dimensionless number expressed by the ratio of the characteristic time of mass transfer and the chemical reaction constant) was sufficient to cause the clogging of the host rock by deposition. This suggests that supersaturated silicic acid deposition, regardless of the presence of Mg ions (and Al ions), contributes to improving barrier performance against radionuclide migration in the host rock. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Manipulating Adsorption-Insertion Mechanisms in Nanostructured Carbon Materials for High-Efficiency Sodium Ion Storage

Hard carbon is one of the most promising anode materials for sodium-ion batteries, but the low coulombic efficiency is still a key barrier. In this paper we synthesized a series of nanostructured hard carbon materials with controlled architectures. Using a combination of in-situ XRD mapping, ex-situ NMR, EPR, electrochemical techniques and simulations, an “adsorption-intercalation” (A-I) mechanism is established for Na ion storage. During the initial stages of Na insertion, Na ions adsorb on the defect sites of hard carbon with a wide adsorption energy distribution, producing a sloping voltage profile. In the second stage, Na ions intercalate into graphitic layers with suitable spacing to form NaCx compounds similar to the Li ion intercalation process in graphite, producing a flat low voltage plateau. The cation intercalation with a flat voltage plateau should be enhanced and the sloping region should be avoided. Guided by this knowledge, non-porous hard carbon material has been developed which has achieved high reversible capacity and coulombic efficiency to fulfill practical application.

Qiu, Shen↗
DOE OSTI2024

Data-driven search for promising intercalating ions and layered materials for metal-ion batteries

The rise in demand for lithium-ion batteries has led to a large-scale search for electrode materials and intercalating ion species to meet the demands of next-generation energy technologies. Recent efforts largely focus on searching for cathodes that can accommodate large amounts of intercalating ions, but similar work on anodes is relatively limited. This study utilizes machine learning methods to find alternative two-dimensional (2D) materials and intercalating ions beyond Li for metal-ion batteries with high-power efficiencies. The approach first uses density functional theory (DFT) calculations to estimate the theoretical capacities and voltages of various metal ions on 2D materials. The DFT-generated data also provide insights into the local structural accommodation upon ion intercalation on various 2D materials. Significant changes to the lattice can result in irreversible changes to the bonding environments in the anode material, resulting in poor cycling stability. Next, this study develops a binding energy and structural accommodation-based classification model to screen anode materials for next-generation batteries. The classification model selects intercalating ions and 2D material pairs suitable for batteries based on the calculated voltage and volumetric changes in the 2D material upon intercalation. Finally, this study builds a regression model to accurately predict the binding energies of the various intercalating ions on 2D materials. The approach highlights the importance of different elemental and structural features for classification and regression tasks. In conclusion, the insights gained from this study on the role of involved features, such as electronegativities of the constituent ions and the presence of unfilled electronic levels, will help to streamline further studies towards the search for future layered battery materials.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The FUNPET—a New Hybrid Ion Funnel-Ion Carpet Atmospheric Pressure Interface for the Simultaneous Transmission of a Broad Mass Range

An atmospheric pressure interface transports ions from ambient pressure to the low-pressure environment of a mass spectrometer. A capillary coupled to an ion funnel is widely used. However, conventional ion funnels do little to negate the large amount of energy picked up by high-mass ions from the gas flow through the capillary. There has been little work done on the effects of gas flow on ion transmission, and the previous studies have all been limited to low-mass, low-charge ions. In this work, we account for the effects of gas flow, diffusion, and electric fields (static and oscillating) on ion trajectories and use simulations to design a new hybrid ion funnel-ion carpet (FUNPET) interface that transmits a broad mass range with a single set of instrument conditions. The design incorporates a virtual jet disruptor where pressure buildup and counter flow dissipate the supersonic jet that results from gas flow into the interface. This, and the small exit aperture that can be used with the FUNPET, reduces the gas flow into the next stage of differential pumping. The virtual jet disruptor thermalizes ions with a broad range of masses (1 kDa to 1 GDa), and once thermalized, they are transmitted into next region of the mass spectrometer with low excess kinetic energy. The FUNPET interface is easy to fabricate from flexible printed circuit board and a support frame made by 3D printing. The performance of the interface was evaluated using charge detection mass spectrometry. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Critically assessing sodium-ion technology roadmaps and scenarios for techno-economic competitiveness against lithium-ion batteries

Sodium-ion batteries have garnered notable attention as a potentially low-cost alternative to lithium-ion batteries, which have experienced supply shortages and price volatility for key minerals. Here we assess their techno-economic competitiveness against incumbent lithium-ion batteries using a modelling framework incorporating componential learning curves constrained by minerals prices and engineering design floors. We compare projected sodium-ion and lithium-ion price trends across over 6,000 scenarios while varying Na-ion technology development roadmaps, supply chain scenarios, market penetration and learning rates. Assuming that substantial progress can be made along technology roadmaps via targeted research and development, we identify several sodium-ion pathways that might reach cost-competitiveness with low-cost lithium-ion variants in the 2030s. In addition, we show that timelines are highly sensitive to movements in critical minerals supply chains—namely that of lithium, graphite and nickel. Our modelled outcomes suggest that being price advantageous against low-cost lithium-ion variants in the near term is challenging and increasing sodium-ion energy densities to decrease materials intensity is among the most impactful ways to improve competitiveness.

25 ENERGY STORAGE↗
DOE OSTI2017

Synergetic effects of K + and Mg 2+ ion intercalation on the electrochemical and actuation properties of the two-dimensional Ti 3 C 2 MXene

Two-dimensional materials, such as MXenes, are attractive candidates for energy storage and electrochemical actuators due to their high volume changes upon ion intercalation. Of special interest for boosting energy storage is the intercalation of multivalent ions such as Mg 2+ , which suffers from sluggish intercalation and transport kinetics due to its ion size. By combining traditional electrochemical characterization techniques with electrochemical dilatometry and contact resonance atomic force microscopy, the synergetic effects of the pre-intercalation of K + ions are demonstrated to improve the charge storage of multivalent ions, as well as tune the mechanical and actuation properties of the Ti 3 C 2 MXene. Our results have important implications for quantitatively understanding the charge storage processes in intercalation compounds and provide a new path for studying the mechanical evolution of energy storage materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Renormalized theory of ion temperature gradient instability of the magnetic-field-aligned plasma shear flow with hot ions

The developed kinetic theory for the stability of a magnetic-field-aligned (parallel) shear flow with inhomogeneous ion temperature [Mikhailenko et al., Phys. Plasmas 21, 072117 (2014)] predicted that a kinetic instability arises from the coupled reinforcing action of the flow velocity shear and ion temperature gradient in the cases where comparable ion and electron temperatures exist. In the present paper, the nonlinear theory was developed for the instability caused by the combined effects of ion-temperature-gradient and shear-flow (ITG–SF). The level of the electrostatic turbulence is determined for the saturation state of the instability on the basis of the nonlinear dispersion equation, which accounts for a nonlinear scattering of ions by the developed turbulence in a sheared flow. The renormalized quasilinear equation for the ion distribution function, which accounts for the turbulent scattering of ions by ITG–SF driven turbulence, was derived and employed for the estimation of the turbulent ion viscosity, the anomalous ion thermal conductivity, and anomalous ion heating rate at the saturation state of the instability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Time evolution of negative ion profile in a large cesiated negative ion source applicable to fusion reactors

To understand the physics of the cesium (Cs) recycling in the large Cs-seeded negative ion sources relevant to ITER and JT-60SA with ion extraction area of 45-60 cm × 110-120 cm, the time evolution of the negative ion profile was precisely measured in JT-60SA where the ion extraction area is longitudinally segmented into 5. The Cs was seeded from the oven at 180 °C to the ion source. After 1 g of Cs input, surface production of the negative ions appeared only in the central segment where a Cs nozzle was located. Up to 2 g of Cs, the negative ion profile was longitudinally expanded over full ion extraction area. The measured time evolution of the negative ion profile has the similar tendency of distribution of the Cs atoms that is calculated. From the results, it is suggested that Cs atom distribution is correlated with the formation of the negative ion profile.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Laser-induced fluorescence measurements of ion fluctuations in electron and ion presheaths

Electrostatic flow-driven instabilities have been predicted in the presheath region of low-temperature plasmas for both ion and electron rich sheaths. The ion-acoustic fluctuations that arise from these instabilities can influence transport through an enhanced collision rate. In this work, ion fluctuation spectra were measured using laser-induced fluorescence (LIF) in the presheath region for both sheath polarities. Furthermore, the non-invasive nature of LIF compared to that of probes is particularly valuable for these measurements because the sheath and presheath around a probe may generate their own flow-driven instabilities, which obscure the measurement. Measurements were made using a recently implemented field programmable gate array-based system able to measure ion fluctuation spectra up to 1 MHz using a two-point correlation function technique. Narrow bandwidth ion fluctuations were observed near 0:46 f pi (460 kHz) for both sheath polarities, where f pi is the ion plasma frequency. The observed fluctuations were significantly stronger in the electron sheath case and were observed over a larger volume of plasma. Fluctuations were measured in the ion sheath case at locations far enough from the sheath that linear theory predicts stability, suggesting that ion-acoustic instabilities generated in the relatively small unstable region near the boundary reflect from the sheath and perturb a much larger volume of the plasma. This is expected to affect probes with both ion and electron rich sheaths, meaning any dc biased probe may effectively act as an ion-acoustic wave antenna. These measurements are consistent with the recent theory and particle-in-cell results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Negative hydrogen ion sources for particle accelerators: Sustainability issues and recent improvements in long-term operations

High brightness, negative hydrogen ion sources are used extensively in scientific facilities operating worldwide. Negative hydrogen beams have become the preferred means of filling circular accelerators and storage rings as well as enabling efficient extraction from cyclotrons. Several well-known facilities now have considerable experience with operating a variety of sources such as RF-, filament-, magnetron- and Penning-type H- ion sources. These facilities include the US Spallation Neutron Source (SNS), Japan Proton Accelerator Research Complex (J-PARC), Rutherford Appleton Laboratory (RAL-ISIS), Los Alamos Neutron Science Center (LANSCE), Fermi National Accelerator Laboratory (FNAL), Brookhaven National Laboratory (BNL), numerous installations of D-Pace (licenced by TRIUMF) ion sources used mainly on cyclotrons and, most recently, the CERN-LINAC-1 injector. This report first summarizes the current performance of these ion sources in routine, daily operations with attention toward source service-periods and availability metrics. Sustainability issues encountered at each facility are also reported and categorized to identify areas of common concern and key issues. Recent ion source improvements to address these issues are also discussed as well as plans for meeting future facility upgrade requirements.

Welton, Robert F.↗