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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Electrochemical reactivity and passivation of organic electrolytes at spinel MgCrMnO 4 cathode interfaces for rechargeable high voltage magnesium-ion batteries

Magnesium transition metal oxides such as MgCr 2−x Mn x O 4 are promising high-voltage and high-capacity cathode materials for rechargeable magnesium batteries (RMBs). Understanding and improving the chemical and electrochemical stability of the cathode–electrolyte interface (CEI) has been the primary technical emphasis to enable this category of cathode materials, which has been significantly underexplored. Herein, in this study, we focus on investigating the fundamental mechanism of parasitic reactions at the charged surface of the high-voltage MgCrMnO 4 model cathode with different organic electrolytes. The aim is to reveal the underlying effect of anions and solvents responsible for the passivation behavior of the cathode by using three exemplary anions: [(CF 3 SO 2 ) 2 N] − (TFSI − ), Al[OC(CF 3 ) 3 ] 4 − (TPFA − ), and [CB 11 H 12 ] − (MC) and three solvents: diglyme (G2), triglyme (G3), and 3-methoxypropylamine (MPA). High precision leakage current measurements during potentiostatic hold reveal that the electrolyte solvent chemistry has a more profound impact than anion's on the passivation of the MgCrMnO 4 cathode surface during deintercalation of Mg 2+ . X-ray photoelectron spectroscopy exhibits the differences in CEI composition. Amine solvents like MPA show poor passivation due to a higher degree of solvent decomposition, while the thin and anion-derived CEI in glyme-based electrolytes is directly linked with the better passivation behavior on the cathode. Furthermore, we leverage the knowledge from these findings to modify the electrolyte structure by adding a solvent additive, with the goal of reducing the parasitic reaction.

25 ENERGY STORAGE↗
DOE OSTI2026

Achieving high rate performance in hybrid pristine-recycled cathodes using model-informed electrode designs

Direct recycling lithium-ion battery cathodes, a process that retains the engineered oxide structures from end-of-life materials, presents a cost-effective and energy-efficient alternative to other battery recycling methods. However, while direct-recycled cathodes have demonstrated performance comparable to that of pristine materials at low cycling rates, their high-rate performance remains uncertain. Morphology changes in cathode particles, a main mode of degradation, directly impact rate performance by limiting surface kinetics and solid-phase diffusion. If direct recycling processes do not sufficiently restore pristine-like morphologies, the recycled materials may retain structural defects that hinder high-rate performance. The present work uses a physics-based pseudo-2D model to simulate hybrid electrodes with pristine and artificially “aged/recycled” NMC materials to investigate potential impacts of incorporating performance-limited aged cathode materials into cells. The study highlights how differences in transport and kinetic properties can influence rate capabilities in mixed electrodes — particularly in high-loading cells in high-demand applications. However, model results also reveal a possible mitigation strategy via dual-layer electrode architectures with lower-performing materials positioned near the current collector. Simulations of 4.0 mAh cm −2 cells cycled at 4C using a dual-layer architecture provided approximately 5%–30% more capacity in constant-current protocols compared to homogeneously blended electrode architectures with the same loadings and mixed-material compositions. These findings highlight the importance of strategic electrode design in minimizing potential performance losses and facilitating the integration of recycled materials into high-performance batteries, advancing sustainable and cost-effective battery manufacturing.

25 ENERGY STORAGE↗
DOE OSTI2024

Voltage Mining for (De)lithiation-Stabilized Cathodes and a Machine Learning Model for Li-Ion Cathode Voltage

Advances in lithium-metal anodes have inspired interest in discovery of Li-free cathodes, most of which are natively found in their charged state. This is in contrast to today's commercial lithium-ion battery cathodes, which are more stable in their discharged state. In this study, we combine calculated cathode voltage information from both categories of cathode materials, covering 5577 and 2423 total unique structure pairs, respectively. The resulting voltage distributions with respect to the redox pairs and anion types for both classes of compounds emphasize design principles for high-voltage cathodes, which favor later Period 4 transition metals in their higher oxidation states and more electronegative anions like fluorine or polyanion groups. Generally, cathodes that are found in their charged, delithiated state are shown to exhibit voltages lower than those that are most stable in their lithiated state, in agreement with thermodynamic expectations. Deviations from this trend are found to originate from different anion distributions between redox pairs. In addition, a machine learning model for voltage prediction based on chemical formulas is trained and shows state-of-the-art performance when compared to two established composition-based ML models for material properties predictions, Roost and CrabNet.

25 ENERGY STORAGE↗
DOE OSTI2024

OPTIMIZATION OF COOLING DISTRIBUTION OF THE EIC SHC COOLER ERL

The Electron-Ion Collider (EIC) Hadron Storage Ring (HSR) will use strong hadron cooling to maintain the beam brightness and high luminosity during long collision ex?periments. An Energy Recovery Linac is used to deliver the high-current high-brightness electron beam for cooling. For the best cooling effect, the electron beam requires low emittance, small energy spread, and uniform longitudinal distribution. In this work, we simulate and optimize the longitudinal laser-beam distribution shaping at the photo?cathode, modeling space charge forces accurately. Machine parameters such as RF cavity phases are optimized in con?junction with the beam distribution using a genetic optimizer. We demonstrate improvement of the cooling distribution in key parameters.

Wang, N.↗
NASA NTRS2002

A Particle and Energy Balance Model of the Orificed Hollow Cathode

A particle and energy balance model of orificed hollow cathodes was developed to assist in cathode design. The model presented here is an ensemble of original work by the author and previous work by others. The processes in the orifice region are considered to be one of the primary drivers in determining cathode performance, since the current density was greatest in this volume (up to 1.6 x 10(exp 8) A/m2). The orifice model contains comparatively few free parameters, and its results are used to bound the free parameters for the insert model. Next, the insert region model is presented. The sensitivity of the results to the free parameters is assessed, and variation of the free parameters in the orifice dominates the calculated power consumption and plasma properties. The model predictions are compared to data from a low-current orificed hollow cathode. The predicted power consumption exceeds the experimental results. Estimates of the plasma properties in the insert region overlap Langmuir probe data, and the predicted orifice plasma suggests the presence of one or more double layers. Finally, the model is used to examine the operation of higher current cathodes.

Domonkos, Matthew T.↗
NASA NTRS1982

A model for mercury orificed hollow cathodes - Theory and experiment

A phenomenological model is developed which provides a qualitative description of the basic physical processes taking place within a mercury orifice hollow cathode. This model can be used to predict, to first order, the important cathode operating parameters such as emission length and insert temperature. By assuming an idealized ion production region within which most of the plasma processes are concentrated, the model can be expressed analytically as a simple set of equations which relate cathode dimensions and specifiable operating conditions, such as mass flow rate and discharge current, to such important parameters as insert temperature and plasma properties. A comparison of theoretical and experimental results shows that, if the excited state energy flux is neglected, the model provides relatively accurate predictions of emission length, emission surface temperature, plasma density, and fraction of discharge current due to volume ionization

Siegfried, D. E.↗
DOE OSTI2024

Establishing criteria for the transition from kinetic to fluid modeling in hollow cathode analysis

Hollow cathodes for plasma switch applications are investigated via 2D3V particle-in-cell simulations of the channel and plume region. The kinetic nature of the plasma within the channel is dependent on the thermalization rate of electrons, emitted from the insert. When Coulomb collisions occur at a much greater rate than ionization or excitation collisions, the electron energy distribution function rapidly relaxes to a Maxwellian and the plasma within the channel can be described accurately via a fluid model. In contrast, if inelastic processes are much faster than Coulomb collisions, then the electron energy distribution function in the channel exhibits a notable high-energy tail, and a kinetic treatment is required. This criterion is applied to hollow cathodes from the literature, revealing that a fluid approach is suitable for most electric propulsion applications, whereas a kinetic treatment can be more critical to accurate modeling of plasma switches.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2004

Model of a Hollow Cathode Insert Plasma

A 2-D axisymmetric fluid model of the plasma in the insert region of a hollow cathode is presented. The level of sophistication included in the model is motivated in part by the need to determine quantitatively plasma fluxes to the emitter surface. The ultimate goal is to assess whether plasma effects can degrade the life of impregnated inserts beyond those documented throughout the 30-50 year history of vacuum cathode technologies. Results from simulations of a 1.2-cm diameter cathode operating at a discharge current of 25 A, and a gas flow rate of 5 sccm, suggest that approximately 10 A of electron current, and 3.5 A of ion current return to the emitter surface. The total emitted electron current computed by the model is about 35 A. Comparisons with plasma measurements suggest that anomalous heating of the plasma due to two-stream instabilities is possible near the orifice region. Solution to the heavy species energy equation, with classical transport and no viscous effects, predicts heavy species temperatures as high as 2640 K.

hollow cathodes↗
NASA NTRS2003

Model of hollow cathode operation and life limiting mechanisms

In this paper we apply results from the extensive traveling wave tube vacuum barium impregnated cathode literature to the hollow cathodes used in ion thrusters. We show that the observed space station cathode life is in general agreement with published barium evaporation rates.

hollow cathodes↗
DOE OSTI2026

Quantitative Analysis and Prediction of Thermal Runaway Metrics of High-Nickel Oxide Cathodes by Machine Learning Models

The pursuit of higher energy density in lithium-ion batteries has made high-nickel (Ni) layered oxides leading cathode candidates for next-generation electric vehicles. However, their poor thermal stability, particularly at Ni contents ≥ 90%, increases the risk of cathode-initiated thermal runaway. Furthermore, we present a data-driven framework combining linear and nonlinear machine learning models to predict key thermal runaway descriptors from a high-throughput differential scanning calorimetry database. With cathode composition and state of charge (SOC) as input features, the ensemble model accurately predicts peak temperature, heat release, and peak heat flow. SHAP analysis identifies Ni content and SOC as the dominant factors controlling thermal runaway temperature, while SOC primarily governs heat release and peak heat flow. Al, Mg, and Mn improve thermal stability by strengthening metal–oxygen bonding and delaying structural transformation, whereas B mainly reduces heat release through surface passivation. Validation with a new cathode composition confirms accurate prediction of SOC-dependent thermal runaway behavior and critical SOC.

25 ENERGY STORAGE↗
NASA NTRS1982

A phenomenological model for orificed hollow cathodes

A quartz hollow tube cathode was used to determine the operating conditions within a mercury orificed hollow cathode. Insert temperature profiles, cathode current distributions, plasma properties profile, and internal pressure-mass flow rate results are summarized and used in a phenomenological model which qualitatively describes electron emission and plasma production processes taking place within the cathode. By defining an idealized ion production region within which most of the plasma processes are concentrated, this model is expressed analytically as a simple set of equations which relate cathode dimensions and specifiable operating conditions, such as mass flow rate and discharge current, to such important parameters as emission surface temperature and internal plasma properties. Key aspects of the model are examined.

Siegfried, D. E.↗
NASA NTRS1981

Advanced space propulsion thruster research

Experiments showed that stray magnetic fields can adversely affect the capacity of a hollow cathode neutralizer to couple to an ion beam. Magnetic field strength at the neutralizer cathode orifice is a crucial factor influencing the coupling voltage. The effects of electrostatic accelerator grid aperture diameters on the ion current extraction capabilities were examined experimentally to describe the divergence, deflection, and current extraction capabilities of grids with the screen and accelerator apertures displaced relative to one another. Experiments performed in orificed, mercury hollow cathodes support the model of field enhanced thermionic electron mission from cathode inserts. Tests supported the validity of a thermal model of the cathode insert. A theoretical justification of a Saha equation model relating cathode plasma properties is presented. Experiments suggest that ion loss rates to discharge chamber walls can be controlled. A series of new discharge chamber magnetic field configurations were generated in the flexible magnetic field thruster and their effect on performance was examined. A technique used in the thruster to measure ion currents to discharge chamber walls is described. Using these ion currents the fraction of ions produced that are extracted from the discharge chamber and the energy cost of plasma ions are computed.

Wilbur, P. J.↗