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At least 307 records · Page 17

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DOE OSTI2024

Leveraging a Neural Network-Enhanced Reproducing Kernel Particle Method for Multiphysics Degradation Modeling of Energy Storage Materials

Energy storage materials exhibit strong electro-chemo-mechanical coupling and highly anisotropic material properties, contributing to the formation and propagation of micro-cracking during charge/discharge cycling and resulting in reduced performance and service life. A coupled electro-chemo-mechanical reproducing kernel particle method (RKPM) formulation has been developed to analyze this system. With microstructural images supplied by the National Renewable Energy Laboratory (NREL), pixel-based model construction by RKPM is used to represent the complex material microstructures that dictate the coupled physics of these systems. Traditional electro-chemo-mechanical models rely on mesh-based finite element methods, which can lead to difficulties in meshing such complex geometries and capturing crack propagation due to mesh dependency. Here, a neural network-enhanced reproducing kernel particle method (NN-RKPM) [1, 2] is introduced to effectively model damage and crack propagation in the material microstructures; the location, orientation, and solution transition near a localization are automatically captured by superimposed block-level NN optimizations. This NN enrichment approach allows for effective modeling of localizations via a fixed background discretization, relieving tedious efforts for adaptive refinement in traditional mesh-based methods. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. NN-RKPM is additionally used to inform how crack opening and closure in turn affect the coupled chemical equations and material microstructure. Reference: [1] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, pp 4422-4454, https://doi.org/10.1002/nme.7040, 2022. [2] Baek, J., Chen, J. S., "A Neural Network-Based Enrichment of Reproducing Kernel Approximation for Modeling Brittle Fracture", Computer Methods in Applied Mechanics and Engineering Vol. 410, 116590, 2024.

degradation↗

NASA NTRS1992

Increased response of the reversal electron attachment detector and modeling of ion space-charge effects

Design and sensitivity tests of a modified version of the so-called reversal electron attachment detector (READ) are presented. The new version uses a spherical cathode capable of emitting higher electron currents. As in the original READ (which used a planar emitter) electrons are focused into an electrostatic mirror which reverses their trajectories. In the reversal region electrons have essentially zero energy and attach to target molecules to form negative ions. The electron gun lens system has been modified using a field and trajectory code with space charge included. Electron trajectories have been calculated for 1-mA current focused into a reversal region of 3.5-mm diameter. The detection limit of the apparatus is approximately 25 times lower than for the original READ. Nonlinearity in the measured signal vs electron current is described by a model in which a spherical ball of ions expands outward with velocity determined by the space-charge force and the initial velocity of ion formation.

Boumsellek, S.↗

NASA NTRS1972

The earth's atmosphere.

Topics discussed include the effects of solar radiation on the heat balance of the earth and its atmosphere, the physicomathematical models of the atmosphere and the computational schemes used in numerical investigations of the general circulation of the atmosphere, the effects of atmospheric turbulence on aeronautical systems, te chemistry of different regions of the atmosphere, the use of hot-filament and cold-cathode vacuum gauges to measure upper-atmosphere densities, methods of determining the air density at heights near a satellite's perigee by analyzing changes in its orbit, and an evaluation of various atmospheric models in the 100- to 1000-km altitude range.

Vaughan, W. W.↗

DOE OSTI2026

Substitution-Mediated Calcination of Nickel-Based Cathodes: Decoupling Lithiation and Crystallization

Nickel-based layered cathodes such as LiNiO 2 offer high energy density for lithium-ion batteries, yet improvements in cycling performance and safety are required for practical use–often achieved through manganese and cobalt substitution as in LiNi 0.80 Mn 0.10 Co 0.10 O 2 (NMC811). However, how such substitution impacts calcination, the key process that governs lithiation, structural ordering, crystallization, and ultimately the resulting material properties, remains unclear. Here, in this study, we investigate substitution-mediated calcination dynamics in NMC811 compared to LiNiO 2 using multiscale-correlated in situ spectroscopy and atomistic-to-mesoscale modeling. While both systems progress through the same sequence of intermediates toward the thermodynamically favored layered phase, NMC811 exhibits an earlier onset of layering, concurrent with hydroxide decomposition followed by sluggish crystallization. Modeling reveals that Mn and Co lower the energy barrier for lithium incorporation and ordering but increase the penalty for interlayer gliding, thereby slowing crystal growth at elevated temperatures. This substitution-mediated decoupling of lithiation and crystallization explains the fine-grained microstructure observed in NMC811 versus coarsened particles in LiNiO 2 and establishes a mechanistic framework for predictive microstructure engineering of Ni-based cathodes.

Calcination↗

NASA NTRS1981

The optical and probe measurement of NO - A comparative study

Measurements were made of NO formation in both subsonic turbulent and nonturbulent media generated from gaseous and liquid fuels. Quartz and metallic, cooled and uncooled probes were employed, and optical measurements were made in the UV with narrow-line and continuum lamps. The extent of systematic error bias in these methods was studied over a wide range of conditions. High resolution measurements were made only on flat flames using a high pressure Xe lamp, while low resolution measurements were done with a hollow cathode lamp on flat flame, swirl burner and jet combustor exhausts. Optical data were reduced using a first principles spectral model and multiple zone treatment of the optical path. No major discrepancies related to processes occurring in probes were identified. Good agreement can be expected in measurements made in subsonic exhaust streams up to 2000 K.

Zabielski, M. F.↗

NASA NTRS1983

A 20 GHz, 75 watt, helix TWT for space communications

A space-qualified, helix-type traveling wave tube is being developed for satellite communication systems in the frequency band of 17.7 to 21.2 GHz. The design approach stresses very high efficiency operation, but with very low distortion. The tube provides multi-mode operation, permitting CW saturated power output levels of 75, 40, and 7.5 W. Operation is also anticipated at 5 dB below these saturation levels to achieve the required low distortion levels. Advanced construction features include a five-stage depressed collector, a diamond supported helix slow-wave circuit, and a type M dispenser cathode. High reliability and long life (10 yr) are objectives of the tube design. Preliminary test results on early developmental models of this tube are very encouraging. An output power of 75 to 90 W has been achieved over the full bandwidth with about 40 dB of saturated gain. More importantly, the basic electronic efficiency of the interaction process has been increased from about 7.5-11 percent by the use of the diamond helix support compared to earlier tubes using BeO support rods. This effort is supported by NASA Lewis Research Center and is aimed toward application in the NASA Advanced Communications Satellite Technology Program.

Heney, J. F.↗

NASA NTRS2001

Preliminary Study of Electron Emission for Use in the PIC Portion of MAFIA

This memorandum summarizes a study undertaken to apply the program MAFIA to the modeling of an electron gun in a traveling wave tube (TWT). The basic problem is to emit particles from the cathode in the proper manner. The electrons are emitted with the classical Maxwell-Boltzmann (M-B) energy distribution; and for a small patch of emitting surface; the distribution with angle obeys Lambert's law. This states that the current density drops off as the cosine of the angle from the normal. The motivation for the work is to extend the analysis beyond that which has been done using older codes. Some existing programs use the Child-Langmuir, or 3/2 power law, for the description of the gun. This means the current varies as the 3/2 power of the anode voltage. The proportionality constant is termed the perveance of the gun. This is limited, however, since the 3/2 variation is only an approximation. Also, if the cathode is near saturation, the 3/2 law definitely will not hold. In most of the older codes, the electron beam is decomposed into current tubes, which imply laminar flow in the beam; even though experiments show the flow to be turbulent. Also, the proper inclusion of noise in the beam is not possible. These older methods of calculation do, however, give reasonable values for parameters of the electron beam and the overall gun, and these values will be used as the starting point for a more precise particle-in-cell (PIC) calculation. To minimize the time needed for a given computer run, all beams will use the same number of particles in a simulation. This is accomplished by varying the mass and charge of the emitted particles (macroparticles) in a certain manner, to be consistent with the desired beam current.

Freeman, Jon C.↗

NASA NTRS2006

Performance and Reliability of Solid Tantalum Capacitors at Cryogenic Conditions

Performance of different types of solid tantalum capacitors was evaluated at room and low temperatures, down to 15 K. The effect of temperature on frequency dependencies of capacitance, effective series resistances (ESR), leakage currents, and breakdown voltages has been investigated and analyzed. To assess thermo-mechanical robustness of the parts, several groups of loose capacitors and those soldered on FR4 boards were subjected to multiple (up to 500) temperature cycles between room temperature and 77 K. Experiments and mathematical modeling have shown that degradation in tantalum capacitors at low temperatures is mostly due to increasing resistance of the manganese cathode layer, resulting in substantial decrease of the roll-off frequency. Absorption currents follow a power law, I approximately t(sup -m), with the exponent m varying from 0.8 to 1.1. These currents do not change significantly at cryogenic conditions and the value of the exponent remains the same down to 15 K. Variations of leakage currents with voltage can be described by Pool-Frenkel and Schottky mechanisms of conductivity, with the Schottky mechanism prevailing at cryogenic conditions. Breakdown voltages of tantalum capacitors increase and the probability of scintillations decreases at cryogenic temperatures. However, breakdown voltages measured during surge current testing decrease at liquid nitrogen (LN) compared to room-temperature conditions. Results of temperature cycling suggest that tantalum capacitors are capable of withstanding multiple exposures to cryogenic conditions, but the probability of failures varies for different part types.

Teverovsky, Alexander↗

NASA NTRS2010

Barium Depletion in the NSTAR Discharge Cathode After 30,000 Hours of Operation

Dispenser hollow cathodes rely on a consumable supply of barium released by impregnant materials in the pores of a tungsten matrix to maintain a low work function surface. Examinations of cathode inserts from long duration ion engine tests show deposits of tungsten at the downstream end that appear to block the flow of barium from the interior. In addition, a numerical model of barium transport in the insert plasma indicates that the barium partial pressure in the insert may exceed the equilibrium vapor pressure of the dominant barium-producing reaction, and it was postulated previously that this would suppress barium loss in the upstream part of the insert. New measurements of the depth of barium depletion from a cathode insert operated for 30,352 hours reveal that barium loss is confined to a narrow region near the downstream end, confirming this hypothesis.

plasma transport↗

NASA NTRS2001

Investigation of Keeper Erosion in the NSTAR Ion Thruster

The goal of the present investigation was to determine the cause for the difference in the observed discharge keeper erosion between the 8200 hr wear test of a NASA Solar Electric Propulsion Technology Applications Readiness (NSTAR) engineering model thruster and the ongoing extended life test (ELT) of the NSTAR flight spare thruster. During the ELT, the NSTAR flight spare ion thruster experienced unanticipated erosion of the discharge cathode keeper. Photographs of the discharge keeper show that the orifice has enlarged to slightly more than twice the original diameter. Several differences between the ELT and the 8200 hr wear test were initially identified to determine any effects which could lead to the erosion in the ELT. In order to identify the cause of the ELT erosion, emission spectra from an engineering model thruster were collected to assess the dependence of keeper erosion on operating conditions. Keeper ion current was measured to estimate wear. Additionally, post-test inspection of both a copper keeper-cap was conducted, and the results are presented. The analysis indicated that the bulk of the ion current was collected within 2-mm radially of the orifice. The estimated volumetric wear in the ELT was comparable to previous wear tests. Redistribution of the ion current on the discharge keeper was determined to be the most likely cause of the ELT erosion. The change in ion current distribution was hypothesized to caused by the modified magnetic field of the flight assemblies.

Domonkos, Matthew T.↗

DOE OSTI2024

Reduction of Methane Leaks through Corrosion Mitigation Pre-treatments for Pipelines with Field Applied Coatings

Corrosion of buried, coated steel pipelines transporting natural gas is a significant source of methane emissions, from pipeline venting required for maintenance and repairs and from pipeline leaks and incidents. Corrosion of steel under field applied coatings is an important safety concern for the pipeline industry. This project investigates the application of a field applied alloy over girth welds to mitigate external corrosion of buried coated steel pipelines. Various metallic coating options were considered, which were required to meet several criteria: (1) it must resist corrosion under open-circuit or mild cathodic protection conditions, (2) it must protect the substrate steel, and (3) it must not negatively affect the adhesion of the field coating. Finite element models and lab testing were performed of alloy coating compositions to identify promising alloy types underneath disbonded coatings. Polarization curves of coating alloys were generated to provide the boundary conditions for the COMSOL model to compute potential and current distributions around coated areas. Sacrificial and corrosion-resistant metal alloy coatings were evaluated and optimized using corrosion modeling and laboratory electrochemical testing, where aluminum alloy 5356 (5% Mg) and steel alloy B9 (9% Cr) were selected. Corrosion test coupons were designed and fabricated using thermal spray aluminum 5356 and welded B9 steel overlays on API 5L grade X42 line pipe steel. The corrosion test coupons, with simulated pipe coating damage, were tested in a laboratory soil box and a field pipeline site in Texas for 3-months. Corrosion test coupons were then tested for 6-months at field pipeline sites in Texas and Tennessee to quantify corrosion rates and performance of the aluminum and steel alloys under polyethylene tape and 2-part epoxy coatings, various coating holidays, and with and without cathodic protection.

03 NATURAL GAS↗

NASA NTRS1988

Experimental validation of a phenomenological model of the plasma contacting process

A preliminary model of the plasma coupling process is presented which describes the phenomena observed in ground-based experiments using a hollow cathode plasma contactor to collect electrons from a dilute ambient plasma under conditions where magnetic field effects can be neglected. The locations of the double-sheath region boundaries are estimated and correlated with experimental results. Ion production mechanisms in the plasma plume caused by discharge electrons from the contactor cathode and by electrons streaming into the plasma plume through the double-sheath from the ambient plasma are also discussed.

Williams, John D.↗

NASA NTRS1991

New Secondary Batteries Utilizing Electronically Conductive Polypyrrole Cathode

To gain a better understanding of the dynamic behavior in electronically conducting polypyrroles and to provide guidance toward designs of new secondary batteries based on these polymers, two mathematical models are developed; one for the potentiostatically controlled switching behavior of polypyrrole film, and one for the galvanostatically controlled charge/discharge behavior of lithium/polypyrrole secondary battery cell. The first model is used to predict the profiles of electrolyte concentrations, charge states, and electrochemical potentials within the thin polypyrrole film during switching process as functions of applied potential and position. Thus, the detailed mechanisms of charge transport and electrochemical reaction can be understood. Sensitivity analysis is performed for independent parameters, describing the physical and electrochemical characteristic of polypyrrole film, to verify their influences on the model performance. The values of independent parameters are estimated by comparing model predictions with experimental data obtained from identical conditions. The second model is used to predict the profiles of electrolyte concentrations, charge state, and electrochemical potentials within the battery system during charge and discharge processes as functions of time and position. Energy and power densities are estimated from model predictions and compared with existing battery systems. The independent design criteria on the charge and discharge performance of the cell are provided by studying the effects of design parameters.

Yeu, Taewhan↗

NASA NTRS1987

Advanced electric propulsion and space plasma contactor research

A theory of the plasma contacting process is described and experimental results obtained using three different hollow cathode-based plasma contactors are presented. The existence of a sheath across which the bulk of the voltage drop associated with the contacting process occurs is demonstrated. Test results are shown to agree with a model of a spherical, space-charge-limited double sheath. The concept of ignited mode contactor operation is discussed, which is shown to enhance contactor efficiency when it is collecting electrons. An investigation of the potentials in the plasma plumes downstream of contactors operating at typical conditions is presented. Results of tests performed on hollow cathodes operating at high interelectrode pressures (up to about 1000 Torr) on ammonia are presented and criteria that are necessary to ensure that the cathode will operate properly in this regime are presented. These results suggest that high pressure hollow cathode operation is difficult to achieve and that special care must be taken to assure that the electron emission region remains diffuse and attached to the low work function insert. Experiments conducted to verify results obtained previously using a ring cusp ion source equipped with a moveable anode are described and test results are reported. A theoretical study of hollow cathode operation at high electron emission currents is presented. Preliminary experiments using the constrained sheath optics concept to achieve ion extraction under conditions of high beam current density, low net accelerating voltage and well columniated beamlet formation are discussed.

Wilbur, Paul J.↗

DOE OSTI2025

Revealing the roles of the solid–electrolyte interphase in designing stable, fast-charging, low-temperature Li-ion batteries

Designing the solid–electrolyte interphase (SEI) is critical for stable, fast-charging, low-temperature Li-ion batteries. Fostering a “fluorinated interphase,” SEI enriched with LiF, has become a popular design strategy. Although LiF possesses low Li-ion conductivity, many studies have reported favorable battery performance with fluorinated SEIs. Such a contradiction suggests that optimizing SEI must extend beyond chemical composition design to consider spatial distributions of different chemical species. In this work, we demonstrate that the impact of a fluorinated SEI on battery performance should be evaluated on a case-by-case basis. Sufficiently passivating the anode surface without impeding Li-ion transport is key. We reveal that a fluorinated SEI containing excessive and dense LiF severely impedes Li-ion transport. In contrast, a fluorinated SEI with well-dispersed LiF (i.e., small LiF aggregates well mixed with other SEI components) is advantageous, presumably due to the enhanced Li-ion transport across heterointerfaces between LiF and other SEI components. An electrolyte, 1 M LiPF 6 in 2-methyl tetrahydrofuran (2MeTHF), yields a fluorinated SEI with dispersed LiF. This electrolyte allows anodes of graphite, μSi/graphite composite, and pure Si to all deliver a stable Coulombic efficiency of 99.9% and excellent rate capability at low temperatures. Pouch cells containing layered cathodes also demonstrate impressive cycling stability over 1,000 cycles and exceptional rate capability down to −20 °C. Through experiments and theoretical modeling, we have identified a balanced SEI-based approach that achieves stable, fast-charging, low-temperature Li-ion batteries.

25 ENERGY STORAGE↗

NASA NTRS1989

Numerical modeling of a vortex stabilized arcjet thruster

A numerical method to solve the equations governing a vortex stabilized arcjet thruster is being developed. The model will allow the effects of swirling flow and geometry on arcjet thruster performance to be determined. The propellant flow equations, i.e., the axisymmetric, thin layer, Navier-Stokes equations, are solved using a Gauss-Siedel line-relaxation procedure. An implicit FTCS method is used to solve the electromagnetic field equations. A grid generation scheme was developed for an arbitrary arcjet geometry. The model will allow the radial and axial components of velocity and current distributions to be determined from a region upstream of the cathode, through the constrictor, to the exit plane of the nozzle.

Keith, Theo G., Jr.↗

NASA NTRSDate not supplied

Modeling Electrolytic O2 Recovery from Metabolic CO2 for Advanced Closed Loop Life Support Systems in Extraterrestrial Human Missions

The International Space Station (ISS) is currently equipped with a complex, heavy, and power consuming system that recovers approximately 50% of O2 from metabolic CO2. Future long duration human missions to the Moon and Mars will necessitate a sustainable and highly efficient metabolic oxygen recovery system capable of yielding a minimum of 75% O2 recovery. A Macrofluidic Electrochemical Reactor (MFECR) technology development effort is currently underway at NASA Marshall Space Flight Center (MSFC) to significantly increase current metabolic O2 recovery efficiency, expand mission sustainability, and reduce complexity of the system. The novel design combines CO2 conversion to O2 along with C2H4 as byproduct and water electrolysis (currently conducted in two separate units) into a single compact unit that runs at standard conditions and is theoretically capable of generating O2 with a theoretical maximum metabolic CO2 conversion of 73% while consuming less than metabolic water. This paper presents a comprehensive multi-physic 3D model developed at MSFC on CO2 conversion to O2 and C2H4 at standard conditions via MFECR. The 3D spatial domain of the model is a replica of the actual MFECR’s 3D drawing generated for the MFECR fabrication and operated to recover O2 from CO2 yielding C2H4 as byproduct. Electrochemical (EC) physics that includes EC multicomponent reaction mechanisms, mass transport, and electrical current density distributions is coupled in the model with all the other physics phenomena involved in the MFECR’s process, such as two-phase flow, free and porous fluid regimes, multicomponent mass transfer, heat transfer, and DC electrical current generation along with Joule heating effect. The EC reaction sections of the MFECR consists of two porous gas diffusion electrodes (GDE) and an electrolyte serpentine channel sandwiched in the middle. The CO2 feeds the cathode serpentine channel and part of the O2 product is fed back to the anode serpentine chamber. An alkaline solution feeds the electrolyte serpentine chamber wetting the GDEs of both, the anode and cathode allowing the OH- ionic transport between them. The EC reactions in the cathode’s GDE yield C2H4 from CO2 and H2 from water while the EC reaction in the anode’s GDE yields O2. The authors will present in this paper the validation of the model using experimental data and the utilization of the validated model in building a reliable simulator that will not only assist the authors on the MFECR design but also the optimization of its operation in the ISS and future spatial human missions.

Jesus A Dominguez↗

NASA NTRS1974

The 15 cm diameter ion thruster research

The startup reliability of a 15 cm diameter mercury bombardment ion thruster which employs a pulsed high voltage tickler electrode on the main and neutralizer cathodes is examined. Startup of the thruster is achieved 100% of the time on the main cathode and 98.7% of the time on the neutralizer cathode over a 3640 cycle test. The thruster was started from a 20 C initial condition and operated for an hour at a 600 mA beam current. An energy efficiency of 75% and a propellant utilization efficiency of 77% was achieved over the complete cycle. The effect of a single cusp magnetic field thruster length on its performance is discussed. Guidelines are formulated for the shaping of magnetic field lines in thrusters. A model describing double ion production in mercury discharges is presented. The production route is shown to occur through the single ionic ground state. Photographs of the interior of an operating-hollow cathode are presented. A cathode spot is shown to be present if the cathode is free of low work-function surfaces. The spot is observed if a low work-function oxide coating is applied to the cathode insert. Results show that low work-function oxide coatings tend to migrate during thruster operation.

Wilbur, P. J.↗