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All sourcesNASA NTRSDOE OSTI
NASA NTRS2018

Investigations of Pole Erosion Mechanisms in the 12.5 kW HERMeS Hall Thruster Using Numerical Simulations and Ion Velocity Measurements

When the Hall Effect Rocket with Magnetic Shielding (HERMeS) was tested at the NASA GRC’s VF-5 the erosion rate on the pole covers was found to be at least a factor of two higher at 300 V and 20.8 A than at other operating conditions in the 400 V to 600 V range. Simulations using our hydrodynamics code Hall2De do not predict increased erosion rates at 300 V but accurately compute erosion rates similar to the measurements at the other operating conditions. We investigate the source of the discrepancy between measurements and simulations at 300 V using a combination of numerical simulations and experimental measurements of the ion velocity fields in the acceleration region of the thruster. By examining previous simulations that predicted the measured erosion rates for other thrusters and operating conditions, we determine that sputtering of the pole surfaces by high energy ions is the most likely mechanism behind the erosion rates at 300 V. High energy ions sputter the pole surfaces when the acceleration region of the thruster is downstream of the pole surface plane. When the latter occurs, the curvature of the plasma potential contours at the edges of the channel accelerates a small fraction of the high energy ions radially. We find that neither our Hall2De simulations nor the experimental measurements produce ions of sufficiently high energy and flux to the inner pole cover to explain the measured erosion there. Only at the outer edge of the cover is where we find the ions needed to yield simulation results that are comparable to the erosion measurements. We argue that one possible mechanism for the higher erosion is high energy ions that graze the channel corner of the pole and become trapped in a sheath that develops downstream. Within the sheath, we find that the electric field is large enough to turn the ions towards the surface of the pole. A simplified calculation shows that the erosion rates produced by sputtering of trapped ions are similar to the measurements. We also propose that the presence of local oscillations and high-energy cathode ions may be sources of the enhanced erosion We conclude this article by proposing a combination of analysis, simulation, and experimental measurements that can be used to address the validity of these hypotheses.

Mikellides, Ioannis G.↗
NASA NTRS1984

Nonlocal effects on the convective properties of the electrostatic current-driven ion-cyclotron instability

The convective behavior of the current-driven ion-cyclotron instability (CDICI) in the presence of nonlocal magnetic-shear and current-channel-width effects is investigated theoretically using the analytical approach of Bakshi et al. (1983). The results are presented in graphs and discussed. Three different CDICI regimes defined by the ratio of the channel width to the shear length are obtained: a purely nonlocal regime with reduced temporal growth rate and group velocity in the z direction going to zero (ratios greater than about 0.1); a regime corresponding to the results of local theory (ratios less than 0.01); and a regime characterized by decreasing temporal growth rate and by z and y group velocities which become negative when the channel width becomes less than the mean ion Larmor radius (ratios 0.001 or less).

Ganguli, G.↗
DOE OSTI2026

Graphene oxide precursor effects on 3D-printed carbon scaffolds

Manganese oxide (MnO 2 ), an earth-abundant material, is a promising component for energy storage devices, with uses in both pseudocapacitors and batteries. However, high MnO 2 loading often leads to reduced performance due to poor ion diffusion. 3D printing, particularly using the direct ink writing (DIW) technique, offers a solution by enabling the fabrication of electrodes with hierarchical porous structures and open channels that enhance mass transport and ion diffusion. Previous work demonstrated that 3D-printed graphene aerogels with MnO 2 coatings exhibited excellent electrochemical performance, even with thick electrodes, due to their optimized structure. Building on this work, the current study investigates the performance differences between aerogels developed using graphene oxide (GO) and reduced graphene oxide (rGO) as carbon precursors. Both materials were incorporated into thixotropic inks, 3D-printed into lattice structures, and carbonized. Despite expected similarities between the final graphene aerogel, rGO-based aerogels exhibited superior areal capacitance, compared to GO-based aerogels. These differences are attributed to the lower oxygen content and defect density of rGO, which influence its interaction with cellulose viscosifiers in the ink formulation. Brunauer–Emmett–Teller (BET) surface area analysis revealed that rGO aerogels exhibit a larger surface area and mesoporous structure, further enhancing their performance. When coated with MnO 2 , rGO-based aerogels maintained their superior capacitive behavior over GO-based aerogels. This study highlights the effect of carbon precursor on the end performance of graphene aerogels.

Materials science↗
NASA NTRS1987

An intercomparison technique for measuring thermal attachment cross sections and rate constants in distinct final channels

A new technique is introduced for comparing negative-ion signal rates in which a common ion is produced by dissociative attachment in a series of molecules. Measurements are carried out at electron energies less than 100 MeV and at resolutions of 6-8 MeV (FWHM). The technique is demonstrated by detection of the Cl(-) signal in CFCl3, CCl4, CF2Cl2, 1,1,2-C2Cl3F3, 1,1,1-C2Cl3F3 and C2Cl4. Measurements for 1,1,1-C2Cl3F3 show that there is a significant open channel, other than Cl(-) formation, which accounts for about 60 percent of negative-ion formation in thermal-multiple-collision (swarm) experiments. Channel cross sections and rate constants are given for the process Cl(-)/1,1,1-Cl2Cl3F3, as well as in C2Cl4, for the separate channels Cl(-)/C2Cl4 and C2Cl4(-)/C2Cl4.

Alajajian, S. H.↗
NASA NTRS1981

Additional application of the NASCAP code. Volume 2: SEPS, ion thruster neutralization and electrostatic antenna model

The interactions of spacecraft systems with the surrounding plasma environment were studied analytically for three cases of current interest: calculating the impact of spacecraft generated plasmas on the main power system of a baseline solar electric propulsion stage (SEPS), modeling the physics of the neutralization of an ion thruster beam by a plasma bridge, and examining the physical and electrical effects of orbital ambient plasmas on the operation of an electrostatically controlled membrane mirror. In order to perform these studies, the NASA charging analyzer program (NASCAP) was used as well as several other computer models and analytical estimates. The main result of the SEPS study was to show how charge exchange ion expansion can create a conducting channel between the thrusters and the solar arrays. A fluid-like model was able to predict plasma potentials and temperatures measured near the main beam of an ion thruster and in the vicinity of a hollow cathode neutralizer. Power losses due to plasma currents were shown to be substantial for several proposed electrostatic antenna designs.

Katz, I.↗
DOE OSTI2025

Origin of Intrinsically Low Thermal Conductivity in a Garnet-Type Solid Electrolyte: Linking Lattice and Ionic Dynamics with Thermal Transport

Understanding thermal transport in solid electrolytes is essential for improving the performance, reliability, and safety of all-solid-state batteries. Garnet-type lithium-ion conductors are promising candidates for solid electrolytes, yet their thermal-transport mechanisms remain poorly understood. Here, we connect the lattice and ion dynamics of single-crystal garnet-type Li 6.5 La 3 Zr 1.5 Ta 0.5 O 12 to its intrinsically low thermal conductivity. Our study reveals that the single crystals grown by the floating-zone method exhibit remarkably low glasslike thermal conductivity. Using first-principles calculations and inelastic-neutron-scattering measurements, we identify both the acoustic and numerous optical phonon modes, which stem from the complex crystal structure of the material. Notably, a low-energy optical branch exhibits an avoided crossing with acoustic phonons near 7 meV. These optical modes can enhance the scattering of heat-carrying acoustic phonons and reduce thermal conductivity. Furthermore, the calculated Grüneisen parameters are large, especially for the vibrational modes around 6 meV, indicating strong anharmonicity, with a noticeable contribution from lithium-ion vibrations. A two-channel thermal-transport model is employed to describe the weak temperature dependence of the thermal conductivity, which can be attributed to the substantial contribution of diffuson transport facilitated by the abundance of optical phonons and intrinsic anharmonicity. These results offer valuable insights into the thermal transport in a broad class of ionic conductors of interest for energy conversion and storage applications.

Ab initio calculations↗
DOE OSTI2021

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

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

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

TMTpro Complementary Ion Quantification Increases Plexing and Sensitivity for Accurate Multiplexed Proteomics at the MS2 Level

Multiplexed proteomics is a powerful tool to assay cell states in health and disease, but accurate quantification of relative protein changes is impaired by interference from co-isolated peptides. Most widely, this issue is alleviated by MS3-based quantification, reducing sensitivity and requiring specialized instrumentation. An alternative approach is quantification by complementary ions, which allows accurate and precise multiplexed quantification at the MS2 level and is compatible with the most widely distributed instruments. However, complementary ions of the popular TMT tag form inefficiently and plexing is limited to five channels. In this work, we evaluate and optimize complementary ion quantification for the recently released TMTPro tag, which increases plexing capacity to 8 channels (TMTProC). We find that the beneficial fragmentation properties increase quantification signal five-fold compared to TMT. This increased sensitivity results in ~50% more proteins quantified compared to TMTPro-MS3 and even slightly outperforms TMTPro-MS2. Furthermore, TMTProC quantification is more accurate than TMTPro-MS2 and even superior to TMTPro-MS3. To demonstrate the power of TMTProC, we analyzed a human and yeast interference sample and were able to quantify 13,290 proteins in 24 fractions. Thus, TMTProC advances multiplexed proteomics data quality and widens access to accurate multiplexed proteomics beyond laboratories with MS3-capable instrumentation.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2011

Numerical Simulations of a 20-kW Class Hall Thruster Using the Magnetic-Field-Aligned-Mesh Code Hall2De

This paper reports on numerical simulations of the NASA-300M, a 20-kW class Hall thruster developed at the NASA Glenn Research Center (GRC). The numerical simulations have been performed with a 2-D axisymmetric, magnetic field-aligned-mesh (MFAM) plasma solver developed at the Jet Propulsion Laboratory (JPL). The main objective of the collaborative effort is to combine physics-based simulation, plasma diagnostics and recent findings on erosion physics to design and demonstrate a high-power, high-performance Hall thruster that exceeds the life of state-of-the-art Hall thrusters by more than one order of magnitude. The thruster simulations have been carried out at a discharge voltage of 500 V and discharge current of 40 A. The results indicate that although the impact energy of ions may attain values that are comparable to the discharge voltage along the downstream portions of the channel, a withdrawn ionization region and significant ion focusing combine to sustain erosion rates below 1 mm/kh. A more extensive evaluation of the baseline NASA-300M configuration and re-design of this thruster with magnetically shielded walls constitute the main focus of our work in the coming months.

plasma simulations↗
DOE OSTI2021

Electrostatic gating of ion transport in carbon nanotube porins: A modeling study

Carbon nanotube porins (CNTPs) are biomimetic membrane channels that demonstrate excellent biocompatibility and unique water and ion transport properties. Gating transport in CNTPs with external voltage could increase control over ion flow and selectivity. Herein, we used continuum modeling to probe the parameters that enable and further affect CNTP gating efficiency, including the size and composition of the supporting lipid membrane, slip flow in the carbon nanotube, and the intrinsic electronic properties of the nanotube. Our results show that the optimal gated CNTP device consists of a semiconducting CNTP inserted into a small membrane patch containing an internally conductive layer. Moreover, we demonstrate that the ionic transport modulated by gate voltages is controlled by the charge distribution along the CNTP under the external gate electric potential. The theoretical understanding developed in this study offers valuable guidance for the design of gated CNTP devices for nanofluidic studies, novel biomimetic membranes, and cellular interfaces in the future.

36 MATERIALS SCIENCE↗
DOE OSTI2022

MOF-enabled confinement and related effects for chemical catalyst presentation and utilization

A defining characteristic of nearly all catalytically functional MOFs is uniform, molecular-scale porosity. MOF pores, linkers and nodes that define them, help regulate reactant and product transport, catalyst siting, catalyst accessibility, catalyst stability, catalyst activity, co-catalyst proximity, composition of the chemical environment at and beyond the catalytic active site, chemical intermediate and transition-state conformations, thermodynamic affinity of molecular guests for MOF interior sites, framework charge and density of charge-compensating ions, pore hydrophobicity/hydrophilicity, pore and channel rigidity vs. flexibility, and other features and properties. Collectively and individually, these properties help define overall catalyst functional behaviour. Here, this review focuses on how porous, catalyst-containing MOFs capitalize on molecular-scale confinement, containment, isolation, environment modulation, energy delivery, and mobility to accomplish desired chemical transformations with potentially superior selectivity or other efficacy, especially in comparison to catalysts in homogeneous solution environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Narrow bandgap semiconducting silicides: Intrinsic infrared detectors on a silicon chip

Work done during the final report period is presented. The main technical objective was to achieve epitaxial growth on silicon of two semiconducting silicides, ReSi2 and CrSi2. ReSi2 thin films were grown on (001) silicon wafers by vacuum evaporation of rhenium onto hot substrates in ultrahigh vacuum. The preferred epitaxial relationship was found to be ReSi2(100)/Si(001) with ReSi2(010) parallel to Si(110). The lattice matching consists of a common unit mesh of 120 A(sup 2) area, and a mismatch of 1.8 percent. Transmission electron microscopy revealed the existence of rotation twins corresponding to two distinct but equivalent azimuthal orientations of the common unit mesh. MeV He(+) backscattering spectrometry revealed a minimum channeling yield of 2 percent for an approximately 1,500 A thick film grown at 650 C. Although the lateral dimension of the twins is on the order of 100 A, there is a very high degree of alignment between the ReSi2(100) and the Si(001) planes. Highly oriented films of CrSi2 were grown on (111) silicon substrates, with the matching crystallographic faces being CrSi2(001)/Si(111). The reflection high-energy electron diffraction (RHEED) patterns of the films consist of sharp streaks, symmetrically arranged. The predominant azimuthal orientation of the films was determined to be CrSi2(210) parallel to Si(110). This highly desirable heteroepitaxial relationship has been obtained previously by others; it may be described with a common unit mesh of 51 A(sup 2) and mismatch of 0.3 percent. RHEED also revealed the presence of limited film regions of a competing azimuthal orientation, CrSi2(110) parallel to Si(110). A channeling effect for MeV He(+) ions was not found for this material. Potential commercial applications of this research may be found in silicon-integrated infrared detector arrays. Optical characterizations showed that semiconducting ReSi2 is a strong absorber of infrared radiation, with the adsorption constant increasing above 2 x 10(exp 4) cm(sup -1) for photon energies above 0.2 eV. CrSi2 is of potential utility for detection at photon energies above approximately 0.3 eV.

Mahan, John E.↗
NASA NTRS1993

High-performance visible/UV CCD focal plane technology for spacebased applications

We describe recent technology developments aimed at large CCD imagers for space based applications in the visible and UV. Some of the principal areas of effort include work on reducing device degradation in the natural space-radiation environment, improvements in quantum efficiency in the visible and UV, and larger-device formats. One of the most serious hazards for space based CCD's operating at low signal levels is the displacement damage resulting from bombardment by energetic protons. Such damage degrades charge-transfer efficiency and increases dark current. We have achieved improved hardness to proton-induced displacement damage by selective ion implants into the CCD channel and by reduced temperature of operation. To attain high quantum efficiency across the visible and UV we have developed a technology for back-illuminated CCD's. With suitable antireflection (AR) coatings such devices have quantum efficiencies near 90 percent in the 500-700-nm band. In the UV band from 200 to 400 nm, where it is difficult to find coatings that are sufficiently transparent and can provide good matching to the high refractive index of silicon, we have been able to substantially increase the quantum efficiency using a thin film of HfO2 as an AR coating. These technology efforts were applied to a 420 x 420-pixel frame-transfer imager, and future work will be extended to a 1024 x 1024-pixel device now under development.

Burke, B. E.↗
DOE OSTI2025

On the role of ion temperature gradient turbulence in driving ion thermal transport in neutral beam injection-heated L-mode plasmas in a superconducting tokamak

In this paper, we report a detailed experimental study of the role of ion-temperature-gradient driven turbulence in driving ion thermal transport in neutral beam injection (NBI)-heated L-mode plasmas in Experimental Advanced Superconducting Tokamak (EAST) (Wan et al 2000 Nucl. Fusion 40 1057) coupled with linear and nonlinear gyrokinetic simulations. Significant ion-scale turbulence k ⟂ < cm −1 (k ⟂ < 1.5, where k ⟂ where is the perpendicular wavenumber and ρ s is the ion gyroradius calculated using local electron temperature T e ), measured with a microwave reflectometer, is observed in the plasma core at for r/a ≈ 0.265 and 0.5 (where r is half the diameter of the closed flux surface at a given radial position, and a is half the diameter of the last closed flux surface). Local linear stability analysis with experimental equilibrium quantities at these two radial locations using the GS2 gyrokinetic code shows that the most unstable ion-scale micro-instability is the ion temperature gradient (ITG) mode. Since the computed maximum ion-scale linear growth rates are larger than the local Waltz-Miller E × B shearing rate (Waltz and Miller 1999 Phys. Plasmas 6 4265), the E × B shear is unable to suppress ion-scale turbulence, consistent with the experimental observation of ion-scale turbulence. Experimental ion and electron thermal transports, calculated with power balance analysis, are both anomalous with ion thermal transport being the dominant channel. Nonlinear gyrokinetic simulations using the electrostatic global particle-in-cell gyrokinetic tokamak simulation (GTS) code (Weixing Wang et al 2010 Phys. Plasmas 17 072511) show good quantitative agreement between predicted ion thermal transport and that from the power balance analysis. These results demonstrate for the first time the important role of ITG turbulence in driving thermal transport in NBI-heated L-mode plasmas in EAST, showing the effectiveness of GTS code in simulating electrostatic turbulence in EAST and the need of suppressing ITG turbulence to improve energy confinement in EAST.

Sun, P. J. [Chinese Academy of Sciences (CAS), Hef↗
DOE OSTI2024

Diffusioosmotic flow reversals due to ion–ion electrostatic correlations

Existing theories of diffusioosmosis have neglected ion–ion electrostatic correlations, which are important in concentrated electrolytes. Here, we develop a mathematical model to numerically compute the diffusioosmotic mobilities of binary symmetric electrolytes across low to high concentrations in a charged parallel-plate channel. We use the modified Poisson equation to model the ion–ion electrostatic correlations and the Bikerman model to account for the finite size of ions. We report two key findings. First, ion–ion electrostatic correlations can cause a unique reversal in the direction of diffusioosmosis. Such a reversal is not captured by existing theories, occurs at ≈ 0.4 M for a monovalent electrolyte, and at a much lower concentration of ≈ 0.003 M for a divalent electrolyte in a channel with the same surface charge. This highlights that diffusioosmosis of a concentrated electrolyte can be qualitatively different from that of a dilute electrolyte, not just in its magnitude but also its direction. Second, we predict a separate diffusioosmotic flow reversal, which is not due to electrostatic correlations but the competition between the underlying chemiosmosis and electroosmosis. This reversal can be achieved by varying the magnitude of the channel surface charge without changing its sign. However, electrostatic correlations can radically change how this flow reversal depends on the channel surface charge and ion diffusivity between a concentrated and a dilute electrolyte. Furthermore, the mathematical model developed here can be used to design diffusioosmosis of dilute and concentrated electrolytes, which is central to applications such as species mixing and separation, enhanced oil recovery, and reverse electrodialysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

Interplanetary energetic particle observations of the March 1989 events

The IMP-8 spacecraft placed in an elongated orbit of approximately R(sub E) x R(sub E) orbit around the Earth was the only monitor of the energetic particle environment of the near interplanetary space during the period of the solar particle events associated with the Active Region 5395 in March 1989. Measurements of energetic ion and electron intensities were obtained in a series of channels within the energy range: 0.3 to 440 MeV for photons, 0.6 to 52 MeV/nuc for alpha particles, 0.7 to 3.3 MeV/nuc for nuclei with Z greater than or equal to 3, 3 to 9 MeV/nuc with Z greater than or equal to 20, and 0.2 to 2.5 MeV for electrons. The responses of selected energy channels during the period 5 to 23 March 1989 are displayed. It is clearly noted that the most prominent energetic ion intensity enhancements in that time interval were associated with the interplanetary shock wave of March 13 (07:42 UT) as well as that of March 8 (17:56 UT), which have distinct particle acceleration signatures. These shock waves play a major role in determining the near Earth energetic ion intensities during the above period by accelerating and modulating the ambient solar energetic particle population, which was already present in high intensities in the interplanetary medium due to the superposition of a series of solar flare particle events originating in AR 5395. The differential ion intensities at the lowest energy channel of the CPME experiment, which were associated with the March 13 shock wave, reached the highest level in the life of the IMP-8 spacecraft at this energy. At high energies, the shock associated intensity peak was smaller by less than a factor of 3 than the maxima of solar flare particle intensities from some other major flares, in particular from those with sites well connected to the Earth's magnetic flux tubes.

Sarris, E. T.↗
DOE OSTI2023

Manufacturing Water‐Based Low‐Tortuosity Electrodes for Fast‐Charge through Pattern Integrated Stamping

Achieving high energy density and fast charging of lithium‐ion batteries can accelerate the promotion of electric vehicles. However, the increased mass loading causes poor charge transfer, impedes the electrochemical reaction kinetics, and limits the battery charging rate. Herein, this work demonstrated a novel pattern integrated stamping process for creating channels in the electrode, which benefits ion transport and increases the rate performance of the electrode. Meanwhile, the pressure applied during the stamping process improved the contact between electrode and current collector and also enhanced the mechanical stability of the electrode. Compared to the conventional bar‐coated electrode with the same thickness of 155 μm (delivered a discharge capacity of 16 mAh g −1 at the rate of 3 C), the stamped low‐tortuosity LiFePO 4 electrode delivered 101 mAh g −1 capacity. Additionally, water was employed as a solvent in this study. Owing to its eco‐friendliness, high scalability, and minimal waste generation, this novel stamping technique inspire a new method for the industrial‐level efficient roll to roll fabrication of fast‐charge electrodes.

25 ENERGY STORAGE↗