Solid-State Battery Cathode Modeling in SABERS
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Li-S battery↗
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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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Cathode Modeling of Solid-State Batteries
The search for safe, reliable, and compact high-capacity energy storage devices has led to increased interest in all-solid-state battery research. The use of solid electrolytes provides enhanced safety and durability due to their reduced flammability and increased mechanical strength compared to organic liquid electrolytes. Still, the use of solid electrolytes remains challenging. Computational modeling plays a substantial role in addressing these challenges. A particle dynamics electromechanical model for simulating electrochemical processes in a solid-state battery cathode will be presented. The model presents cathode microstructure at the particle level as a mixture of ionically conductive solid electrolyte particles, electrically conductive carbon additives, and cathodic reactant particles. After densification, the particle connectivity is analyzed to reconstruct the complex electric network connecting reactant particles with an anodic and cathodic current collectors through the electrolyte and carbon particles. The Kirchhoff’s matrix equation describing this electric network, is solved to obtain values of various critical parameters, such as the overall conductivity of the cathode for lithium ions and electrons, cathodic reactant material utilization, and the distribution of the electric current and voltages within the cathode. In addition, by representing the reactant particles as electrolyte or galvanic microcells governed by the Butler-Volmer electrochemical equation, the overall performance of battery cells during charge or discharge processes, respectively, can be predicted for a given cathodic powder composition. The presented model, executed on a high-performance computing architecture, essentially provides a valuable guidance in designing and developing future solid-state batteries.
solid-state battery↗
Towards the Identification of the Keeper Erosion Cause(s): Numerical Simulations of the Plasma and Neutral Gas Using the Global Cathode Model OrCa2D-II
Numerical simulations with the time-dependent Orificed Cathode (OrCa2D-II) computer code show that classical enhancements of the plasma resistivity can not account for the elevated electron temperatures and steep plasma potential gradients measured in the plume of a 25-27.5 A discharge hollow cathode. The cathode, which employs a 0.11-in diameter orifice, was operated at 5.5 sccm without an applied magnetic field using two different anode geometries. It is found that anomalous resistivity based on electron-driven instabilities improves the comparison between theory and experiment. It is also estimated that other effects such as the Hall-effect from the self-induced magnetic field, not presently included in OrCa2D-II, may contribute to the constriction of the current density streamlines thus explaining the higher plasma densities observed along the centerline.
plasma modeling↗
A proposed physical model for the impregnated tungsten cathode based on Auger surface studies of the Ba-O-W system
Auger spectra and work function measurements are used to study the surface reactions between tungsten surface and adsorbed layers of barium, and barium and oxygen. The barium on an impregnated tungsten cathod seems to be an intermediate state, probably a coadsorbed barium-oxygen layer on tungsten. A slightly revised version of the previously suggested (1976) impregnated tungsten cathode model is proposed. This revised model assumes that the cathode surface during life has an adsorbed surface layer of a monolayer or less of both barium and oxygen on the surface. At end of life, steep drop in electron emission and resultant cathode failure occur. Recent NASA life test results on TWT type tubes are reported and explained by the proposed model.
Forman, R.↗
Hollow Cathode Thermal Modelling and Self-Consistent Plasma Solution: Work Function Evaluation for a LaB6 Cathode.
Self-heating hollow cathodes are central components in modern electric thrusters. The plasma discharge inside these devices heats the internal components, thus maintaining the temperatures required for electron emission. Precise knowledge of the physical phenomena governing hollow cathode operation is key to predict their lifetime, specifically, their thermionic emission characteristics. A simulation platform has been built to couple plasma and thermal models of the self-heating hollow cathode to produce a self-consistent solution. A self-consistent solution has been found for a LaB6 hollow cathode operating at 25A and 13 sccm where the work function is assumed to be spatially uniform along the emitter with a value which is allowed to vary as the coupled model iterates to a self-consistent solution. The emitter temperature from the converged solution does not agree with experimental temperature measurements, however. The results of a sensitivity analysis suggest that none of the tolerances in the measurement are responsible for the discrepancy. We hypothesize that either the work function needs to be a function of position along the emitting surfaces or the heat fluxes have been overestimated in the plasma solver.
Meiron, Daniel I.↗
Combined plasma and thermal hollow cathode insert model
In this paper, we present the first results from a Hollow Cathode Thermal (HCThermal) model that uses the spatially distributed plasma fluxes calculated by the InsertRegion of an Orificed Cathode (IROrCa2D) code as the heat source to predict the hollow cathode and insert temperatures.
ion thruster life↗
JPL nuclear electric propulsion task
The development of lithium magnetoplasmadynamic (MPD) thrusters at JPL is discussed. The following topics are presented in vugraph form: mercury vapor mass flow control; porous tungsten vaporizer and housing; the lithium vaporizer experiment; a dry box for handling solid lithium; MPD thruster electrode modeling; engine lifetime definitions; cathode failure modeling; cathode erosion modeling; cathode thermal modeling; near cathode plasma model regions; cathode work function modeling; anode work function modeling; and radiation-cooled anodes.
Pivirotto, Tom↗
Experimental Verification of a High-Current Cathode Thermal Model
A series of models have been developed to describe the temperature distribution of thermionic
High-Current↗
Computational Modeling of Cathode Process of Solid-State Batteries
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Computational modeling, solid-state batteries, cat↗
Advanced ion thruster research
A simple model describing the discharge chamber performance of high strength, cusped magnetic field ion thrusters is developed. The model is formulated in terms of the energy cost of producing ions in the discharge chamber and the fraction of ions produced in the discharge chamber that are extracted to form the ion beam. The accuracy of the model is verified experimentally in a series of tests wherein the discharge voltage, propellant, grid transparency to neutral atoms, beam diameter and discharge chamber wall temperature are varied. The model is exercised to demonstrate what variations in performance might be expected by varying discharge chamber parameters. The results of a study of xenon and argon orificed hollow cathodes are reported. These results suggest that a hollow cathode model developed from research conducted on mercury cathodes can also be applied to xenon and argon. Primary electron mean free paths observed in argon and xenon cathodes that are larger than those found in mercury cathodes are identified as a cause of performance differences between mercury and inert gas cathodes. Data required as inputs to the inert gas cathode model are presented so it can be used as an aid in cathode design.
Wilbur, P. J.↗
Cathodic Protection Modeling for Hanford Underground Double-Shell Tank Farms
Hanford stores millions of gallons of radioactive and chemically hazardous waste from the production of weapon materials in tank farms consisting of underground carbon-steel storage tanks surrounded by reinforced concrete. Six of these Hanford tank farms use double-shell storage tanks (DSTs). The DST farms were constructed from 1968 to 1986 with a planned 40–50 year design life, so some are already operating beyond their initial life expectancy. Ultrasonic testing (UT) has indicated significant thinning on the bottom of the secondary (outer) liner of these tanks, believed to arise from groundwater intrusion driving concrete side corrosion. There is no direct access to the steel/concrete interface between the tank and the concrete pad, making it difficult to apply a chemical-based mitigation strategy or to conduct repairs, but cathodic protection (CP) is a possible method to inhibit further concrete-side corrosion. Hanford already uses CP to protect below grade steel piping within the tank farms and connected to the tanks, but this system was not designed to protect the tank bottoms. CP design must account for the structures surrounding the DSTs, including the steel reinforcing bars (rebar) within the concrete pad and vault, various process lines, and the existing CP system. In this study, finite element analysis (FEA) modeling was carried out to simulate CP protection of 1) a single tank and CP anode to develop options for modeling the rebar and to compare to a simpler circuit model and 2) the entire Hanford AN tank farm as a representative example consisting of seven tanks, associated piping, and both existing and new CP anodes. Both circuit and FEA models predict that significant protective current could be delivered to the bottoms of the tanks with the addition of tank-protection anodes below the depth of the tanks. Simulations with only the existing pipe-protection anodes active confirmed that only a very small current to the tank bottoms is predicted under present conditions. Multiple simplified representations of the dome and wall rebar were tested to reduce the computational complexity of the tank-farm simulations, resulting in modeling the rebar as edge elements with a prescribed effective circumference that matches the real rebar surface area. The geometry of the rebar is also simplified into horizontal hoops around the tank walls and radial rebar over the dome with increased effective circumference to retain the target surface area. This simplification was found to greatly reduce the complexity and solution time of the models without large changes in current distributions, especially to the tank bottom. A range of values were tested for model parameters such as soil and concrete resistivities and polarization resistance to investigate their impact on the current and electric potential distributions. Depending on the parameters used, FEA simulations predict some risk of overprotection, particularly on the piping system; since overprotection can also lead to surface damage associated with hydrogen gas generation at the interface (e.g. hydrogen embrittlement or damage to coatings), this needs to be considered when refining the design of the new CP system. Comparison between the FEA models and the circuit model representation demonstrated that the circuit model could not match the predicted FEA current distribution, even when using the exact same surface areas. This discrepancy appeared to be at least partly attributable to the impact of the relative positions of the tank components and anodes to each other and to the ground surface. The FEA model accounts for the relative positions since it solves the governing equations in three dimensions, but the circuit model cannot account for the positioning. In particular, the circuit model underpredicts the current to the tank bottom and overpredicts the current to the dome compared to FEA for the baseline geometry. The FEA models omitted the electrically isolated rebar in the bottom concrete slab. However, a circuit based stray current model estimated that only 2.1% of the total current through the slab would stray into the rebar, corresponding to ~0.21 A for a target current density of 2 mA/ft2 to the tank bottom. The estimated corrosion driven by this amount of stray current is predicted to yield a lifetime of >400 years for the minimum rebar diameter, assuming an acceptable cross-section area loss of 10%.
d'Entremont, Anna [Savannah River National Laborat↗
A phenomenological model describing orificed, hollow cathode operation
A phenomenological model is presented which describes the emission processes occurring within the orificed, hollow cathode. The model defines a region of ion production inside the cathode and assumes that the cathode emission current can be accounted for by considering the ion and electron currents which cross the boundary of this region. Most of the current (approximately 72%) comes from electrons produced by field-enhanced, thermionic emission from a well-defined emission surface at the downstream end of the insert which circumscribes the ion product region. The electrons produced at the emission surface feed the ionization process in the region of ion production; the rest of the current (approximately 28%) is carried by the ions produced in the process. Moving at the Bohm velocity, these ions leave the production volume; they then complete the current path by being collected at various cathode potential surfaces, including the emission surface. The model establishes the ratio of ion to electron currents at the emission surface on the basis of the energy balance at that surface. Experimental results corroborating the principal assumptions of the model are presented and discussed.
Siegfried, D. E.↗
Theoretical study of cathode surfaces and high-temperature superconductors
The surface-dipole properties of model cathode surfaces have been investigated with relativistic scattered-wave cluster calculations. Work-function/coverage curves have been derived from these data by employing the depolarization model of interacting surface dipoles. Accurate values have been obtained for the minimum work functions of several low-work-function surfaces. In the series BaO on bcc W, hcp Os, and fcc Pt, BaO/Os shows a lower and BaO/Pt a higher work function than BaO/W, which is attributed to the different substrate crystal structures involved. Results are also presented on the electronic structure of the high-temperature superconductor YBa2Cu3O7, which has been investigated with fully relativistic calculations for the first time.
Mueller, Wolfgang↗
A model of hollow cathode plasma chemistry
We have developed a new model of hollow cathode plasma chemistry based on the observation that xenon ion mobility is diffusion limited due to resonant charge exchange reactions. The model shows that vapor phase barium atoms are ionized almost immediately and electric fields accelerate the ions upstream from the emission zone. We have also applied the model to the orifice region, where the resultant ion generation profile correlates with previously reported orifice erosion.
hollow cathode↗
Hollow cathode ignition and life model
The Hollow Cathode Assembly is a thermionic source of electrons critical to the operation of the L-3 ETI Xenon Ion Propulsion System (XIPS) thruster.
electric propulsion↗
Assessing cathode–electrolyte interphases in batteries
The cathode-electrolyte interphase plays a pivotal role in determining the usable capacity and cycling stability of electrochemical cells, yet it is overshadowed by its counterpart, the solid-electrolyte interphase. This is primarily due to the prevalence of side reactions, particularly at low potentials on the negative electrode, especially in state-of-the-art Li-ion batteries where the charge cutoff voltage is limited. However, as the quest for high-energy battery technologies intensifies, there is a pressing need to advance the study of cathode-electrolyte interphase properties. Here, we present a comprehensive approach to analyse the cathode-electrolyte interphase in battery systems. We underscore the importance of employing model cathode materials and coin cell protocols to establish baseline performance. Additionally, we delve into the factors behind the inconsistent and occasionally controversial findings related to the cathode-electrolyte interphase. In conclusion, we also address the challenges and opportunities in characterizing and simulating the cathode-electrolyte interphase, offering potential solutions to enhance its relevance to real-world applications.
25 ENERGY STORAGE↗
A first-principles model for orificed hollow cathode operation
A theoretical model describing orificed hollow cathode discharge is presented. The approach adopted is based on a purely analytical formulation founded on first principles. The present model predicts the emission surface temperature and plasma properties such as electron temperature, number densities and plasma potential. In general, good agreements between theory and experiment are obtained. Comparison of the results with the available related experimental data shows a maximum difference of 10 percent in emission surface temperature, 20 percent in electron temperature and 35 percent in plasma potential. In case of the variation of the electron number density with the discharge current a maximum discrepancy of 36 percent is obtained. However, in the case of the variation with the cathode internal pressure, the predicted electron number density is higher than the experimental data by a maximum factor of 2.
Salhi, A.↗
Life Model of Hollow Cathodes Using a Barium Calcium Aluminate Impregnated Tungsten Emitter
Hollow cathodes with barium calcium aluminate impregnated tungsten emitters for thermionic emission are widely used in electric propulsion. These high current, low power cathodes are employed in ion thrusters, Hall thrusters, and on the International Space Station in plasma contactors. The requirements on hollow cathode life are growing more stringent with the increasing use of electric propulsion technology. The life limiting mechanism that determines the entitlement lifetime of a barium impregnated thermionic emission cathode is the evolution and transport of barium away from the emitter surface. A model is being developed to study the process of barium transport and loss from the emitter insert in hollow cathodes. The model accounts for the production of barium through analysis of the relevant impregnate chemistry. Transport of barium through the approximately static gas is also being treated. Finally, the effect of temperature gradients within the cathode are considered.
Kovaleski, S. D.↗