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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Silicone Molding and Lifetime Testing of Peripheral Nerve Interfaces for Neuroprostheses

Implantable peripheral nerve cuffs have a large application in neuroprostheses as they can be used to restore sensation to those with upper limb amputations. Modern day prosthetics, while lessening the pain associated with phantom limb syndrome, have limited fine motor control and do not provide sensory feedback to patients. Sensory feedback with prosthetics requires communication between the nervous system and limbs, and is still a challenge to accomplish with amputees. Establishing this communication between the peripheral nerves in the arm and artificial limbs is vital as prosthetics research aims to provide sensory feedback to amputees. Peripheral nerve cuffs restore sensation by electrically stimulating certain parts of the nerve in order to create feeling in the hand. Cuff electrodes have an advantage over standard electrodes as they have high selective stimulation by bringing the electrical interface close to the neural tissue in order to selectively activate targeted regions of a peripheral nerve. In order to further improve the selective stimulation of these nerve cuffs, there is need for finer spatial resolution among electrodes. One method to achieve a higher spatial resolution is to increase the electrode density on the cuff itself. Microfabrication techniques can be used to achieve this higher electrode density. Using L-Edit, a layout editor, microfabricated peripheral nerve cuffs were designed with a higher electrode density than the current model. This increase in electrode density translates to an increase in spatial resolution by at least one order of magnitude. Microfabricated devices also have two separate components that are necessary to understand before implantation: lifetime of the device and assembly to prevent nerve damage. Silicone molding procedures were optimized so that devices do not damage nerves in vivo, and lifetime testing was performed on test microfabricated devices to determine their lifetime in vivo. Future work of this project would include fabricating some of the designed devices and seeing how they compare to the current cuffs in terms of their electrical performance, lifetime, shape, and mechanical properties.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Comparing velocities and pressures in redox flow batteries with interdigitated and serpentine channels

Abstract Serpentine channels adjacent to a thin, porous medium are a potentially attractive alternative to a conventional thick flow‐through electrode for redox flow batteries. The hydrodynamics of serpentine flow fields were investigated with computational fluid dynamics, a two‐dimensional model of the porous electrode based on Darcy's law, and a resistance network model at the scale of the active area. Predictions from the three models were used to map the available design space. The optimal electrode thickness, in terms of minimizing nonuniformity, was identified and compared to the result for an interdigitated flow field. Serpentine favors thicker electrodes and higher flows than interdigitated, in qualitative agreement with experimental findings. Furthermore, interdigitated designs deliver more uniform intraelectrode velocities and lower overall pressure drops than serpentine flow fields.

Macdonald, Malcolm↗
DOE OSTI2018

Determining Electrode Tortuosity and Rate Limitations from Experiments and Modeling

CAE models efficiently address 3D large battery performance and safety design. Further work is needed to increase electrochemical model fidelity, reduce expense of parameter ID, and integrate degradation mechanisms, enabling optimization of designs for lifetime. Microstructure models provide deeper insight into predict effective properties of macro-homogeneous models and heterogeneous utilization of electrode degradation. Enabling 10-minute fast charge of BEV200+ requires electrolytes with enhanced transport and low electrode tortuosity.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2022

Multi-layer anodes for high-current applications

In this work, we present a combination of experiments and modeling of a two-layer anode structure designed by EnPower Inc. for high-energy and fast-charge capabilities. The anode consists of lower porosity near the current collector and higher porosity near the separator with comparable active materials in both regions. A pseudo-two-dimensional electrochemical–thermal model was designed to represent the performance of this electrode. Simulations, consistent with experiments, show superior ion transport and lithiation in the multi-layer anode (MLA) compared to a conventional single-layer anode (SLA). Surprisingly, this improved transport in MLA manifests as enhanced cathode performance during high-rate discharge and this, in turn, provides higher energy density for MLA. Similarly, during fast charge, less irreversible lithium is deposited due to this improved transport in MLA, and hence MLA exhibits less capacity fade compared to SLA. Polarization analysis demonstrates marginally lower cumulative overpotential for MLA in different case studies; however, MLA cells maintain a significantly higher capacity in the same conditions and have more than double the cycle life. Further, this means despite the apparently limited polarization benefit provided by MLA; the MLA structure can more reliably be employed in cell designs. Additional design changes are also analyzed by means of the model.

25 ENERGY STORAGE↗
DOE OSTI2026

Finite-element-based simulations of electrodes for CO 2 cascade reduction reactions

The multielectron reduction of CO 2 to liquid fuels could be a path to scalable energy storage, but reaching this goal requires major advances in catalysis and systems engineering. Cascade catalysis, which couples sequential reactions without isolating intermediates, has emerged as a promising route to enhance selectivity and efficiency in CO 2 reduction (CO 2 R). In this review, we examine how finite-element-based simulations of continuum model [finite element method (FEM)] approaches are being used to analyze and guide CO 2 R cascade systems. We first outline the fundamentals of cascade catalysis and recent advances in catalytic materials (metallic, molecular, and hybrid architectures). We then focus on FEM developments at the electrode and device scales, emphasizing how these models capture transport phenomena, local microenvironments, and geometry-dependent effects. To clarify design principles, we present case studies of cascade electrodes organized in systems without and with integrated semiconductors. We further emphasize the integration of FEM with multiscale frameworks (density functional theory, molecular dynamics, kinetic Monte Carlo) and its role in bridging atomic-level insights with device-level performance. Finally, we identify current limitations and future prospects, including improved boundary conditions, coupling with operando experiments, and machine learning-accelerated model development. Together, these insights provide design principles for next-generation CO 2 R cascade systems for efficient solar fuel production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2003

Developing Antimatter Containment Technology: Modeling Charged Particle Oscillations in a Penning-Malmberg Trap

The NASA MSFC Propulsion Research Center (PRC) is conducting a research activity examining the storage of low energy antiprotons. The High Performance Antiproton Trap (HiPAT) is an electromagnetic system (Penning-Malmberg design) consisting of a 4 Tesla superconductor, a high voltage confinement electrode system, and an ultra high vacuum test section; designed with an ultimate goal of maintaining charged particles with a half-life of 18 days. Currently, this system is being experimentally evaluated using normal matter ions which are cheap to produce and relatively easy to handle and provide a good indication of overall trap behavior, with the exception of assessing annihilation losses. Computational particle-in-cell plasma modeling using the XOOPIC code is supplementing the experiments. Differing electrode voltage configurations are employed to contain charged particles, typically using flat, modified flat and harmonic potential wells. Ion cloud oscillation frequencies are obtained experimentally by amplification of signals induced on the electrodes by the particle motions. XOOPIC simulations show that for given electrode voltage configurations, the calculated charged particle oscillation frequencies are close to experimental measurements. As a two-dimensional axisymmetric code, XOOPIC cannot model azimuthal plasma variations, such as those induced by radio-frequency (RF) modulation of the central quadrupole electrode in experiments designed to enhance ion cloud containment. However, XOOPIC can model analytically varying electric potential boundary conditions and particle velocity initial conditions. Application of these conditions produces ion cloud axial and radial oscillation frequency modes of interest in achieving the goal of optimizing HiPAT for reliable containment of antiprotons.

Chakrabarti, S.↗
DOE OSTI2025

How Interface Evolution at the Nanoscale Dictates Protonic Ceramic Cell Behavior

Understanding the effects of heterointerfaces in nanodevices remains a challenge in interface engineering for systems applied in solid oxide fuel cells, catalysis, sensors, and memristors [1]. Previous studies have shown that the presence of interfaces in ceramic oxide nanodevices affects their impedance properties compared to bulk systems [2]. In this work, we analyze a thin-film model system designed to study the interfaces between representative electrode and electrolyte materials employed in protonic ceramic electrochemical cells for the reversible conversion of hydrogen o electricity. The investigated device features a 21-layer architecture that alternates between an electrode material PBSCF (PrBa 0.5 Sr 0.5 Co 1.5 Fe 0.5 O 5+ϵ ) and a proton-conducting electrolyte BZY (BaZr 0.8 Y 0.2 O 3-δ ), with uniform 20 nm thickness for each layer. Here, the device was fabricated using Pulsed Laser Deposition (PLD) and supported on a conductive Nb-doped STO (Nb-SrTiO 3 ) substrate.

dos Santos, Gabriel T. [Northwestern University, E↗
DOE OSTI2024

Modeling Planar Electrodes and Zero–Gap Membrane Electrode Assemblies for CO 2 Electrolysis

Multiphysics modeling enables probing of conditions inside a CO 2 electrolyzer that are difficult to measure, such as local concentrations and pH, as well as rapid testing of possible design changes. A one-dimensional model for a zero-gap membrane electrode assembly (MEA) CO 2 electrolyzer was developed with the assumption that catalyst layers interact with the membrane ionomer such that the ionomer affects the underlying kinetics. The kinetics for bicarbonate reacting to form hydrogen are fit using a planar electrode model for silver with an ionomer coating. The MEA model results are validated against experimental studies for current density and product selectivity. Flooding of the cathode is modeled using saturation curves, and results show that blocked pores in the microporous layer play a significant role in limiting the mass transport at high potentials (>2.8 V). Sensitivity studies showed that CO Faradaic efficiency can be increased by decreasing catalyst layer thickness and porosity, and decreasing KHCO 3 concentration.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2014

A one-dimensional model illustrating virtual-cathode formation in a novel coaxial virtual-cathode oscillator

A one-dimensional electrostatic sheet model of a coaxial geometry Virtual Cathode Oscillator (VCO) is presented. The cathode is centrally located and connects to a peripherally located plate electrode to form a resonant cavity, and is thus considered to be a novel design. Charge is modelled as concentric sheets about the cathode whose absolute position and velocity are determined as a function of time by solving the relativistic equations of motion. The model predicts the formation of a virtual cathode between the grid and plate electrodes for the case of a space-charge limited current. Setting the electron reflexing frequency (as a function of the grid potential) comparable with the cavity resonant frequency is predicted to improve the efficiency of microwave emission.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Modeling and Characterization of Surface Discharges in Insulating Material for Spacers: Electrode Shape, Discharge Mode, and Revision of the Creepage Concept

In the design of MV AC and DC spacers, the predominant factors are surface and interface conditions. Design is generally carried out on specifications and standards which are based on long-term experience and lab testing. However, the diffusion of power electronics with a trend to increase electric field, switching frequency, and rise time to achieve higher power density calls for an innovative, global approach to optimized insulation system design. A new methodology, based on field simulation, discharge modeling, and partial discharge inception measurements, called the three-leg approach, can form the basis to optimize insulation design for any type of supply voltage waveform. This paper focuses on the influence of the type of electrode on the inception and phenomenology of surface discharges and, as a consequence, on the interpretation of the results used for application of the three-leg approach. It is demonstrated that a typical electrode system used for insulating material testing can generate both gas and surface discharges at the triple point, when the electrodes have a smooth profile that is used to avoid corona or flashover. Hence, testing partial discharge may not provide a straightforward indication of the surface discharge inception and, thus, be partially misleading for insulation design. Another takeover is that such analysis must benefit from PD testing tools endowed with analytics able to provide automatic identification of the type of defect generating PD, i.e., internal, surface, and corona, since design and remedy actions can be taken, and adequate insulating materials developed, only knowing the type of source generating PD. Hence, testing partial discharge may not provide a straightforward indication of surface discharge inception and, thus, be partially misleading for insulation design. In addition to the importance of the three-leg approach to favor reliable and optimized design of insulation systems, there is a clear need to have a PD testing tool endowed with analytics. It should preferably be able to provide automatic identification of the type of defect generating PD, i.e., internal, surface, and corona.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Modeling Electric Double Layer Effects on Charge Transfer at Flow Battery Electrode/Electrolyte Interfaces

The proposal aims to model interfacial processes associated with redox flow batteries (RFB) for grid/stationary storage, with the ultimate goal of helping design new electrolytes, electrodes, redox species, and interfaces. It addresses the linked problems of electric double layer (EDL) structure and electron transfer at model electrode/electrolyte interfaces. Fast electron transfer partly determines which redox species are viable for flow batteries (along with solubility, viscosity, etc.). Commercial systems apply aqueous, vanadium-based complexes, but other choices and organic electrolytes with larger voltage windows are the subject of active research at Sandia and elsewhere. The high salt concentration present in flow battery electrolytes yields non-trivial EDL consisting of solvents, counter-ions, co-ions, and redox species (at different charge states at the charging voltage threshold). EDL strongly influences electron transfer, especially when redox “mediators” are used. Modeling this key missing information is the main challenge. Our proposal seeks to apply Sandia’s LAMMPS molecular dynamics code. As a proof of principle, we study minimal model systems (graphite electrode, with ferrocene and fluornone as redox-active species). These model "catholyte" and "anolyte" molecules exhibit low reorganization energies (in the sense of Marcus theory) and are most amenable to EDL simulations which involve switching of redox states to mimic electron transfer. This study will enable future modeling and design of redox species relevant to flow batteries and redox mediators used at Sandia for other purposes.

25 ENERGY STORAGE↗
DOE OSTI2016

Effect of Ni content on the morphological evolution of Ni-YSZ solid oxide fuel cell electrodes

The coarsening of Ni in Ni–yttria-stabilized zirconia (YSZ) anodes is a potential cause of long term solid oxide fuel cells (SOFC) performance degradation. The specifics of the Ni-YSZ structure—including Ni/YSZ ratio, porosity, and particle size distributions—are normally selected to minimize anode polarization resistance, but they also impact long-term stability. A better understanding of how these factors influence long-term stability is important for designing more durable anodes. The effect of structural details, e.g., Ni-YSZ ratio, on Ni coarsening has not been quantified. Furthermore, prior measurements have been done by comparing evolved structures with control samples, such that sample-to-sample variations introduce errors. Here in this paper, we report a four dimensional (three spatial dimensions and time) study of Ni coarsening in Ni-YSZ anode functional layers with different Ni/YSZ ratios, using synchrotron x-ray nano-tomography. The continuous structural evolution was observed and analyzed at sub-100 nm resolution. It is shown quantitatively that increasing the Ni/YSZ ratio increases the Ni coarsening rate. This is due to both increased pore volume and a decrease in the YSZ volume fraction, such that there is more free volume and a less obtrusive YSZ network, both of which allow greater Ni coarsening. The results are shown to be in good agreement with a power-law coarsening model. In conclusion, the finding is critical for informing the design of SOFC electrode microstructures that limit coarsening and performance degradation.

36 MATERIALS SCIENCE↗
NASA NTRS1979

Development program on a cold cathode electron gun

A prototype electron gun with a field emitter cathode capable of producing 95 mA in a 1/4 mm diameter beam at 12 kV was produced. Achievement of this goal required supporting studies in cathode fabrication, cathode performance, gun design, cathode mounting and gun fabrication. A series of empirical investigations advanced fabrication technology: More stable emitters were produced and multiple cone failure caused by chain reaction discharges were reduced. The cathode is capable of producing well over 95 mA, but a substantial collector development effort was required to demonstrate emission levels in the 100 mA region. Space charge problems made these levels difficult to achieve. Recommendations are made for future process and materials investigation. Electron gun designs were modeled and tested. A pair of two-electrode gun structures were fabricated and tested; one gun was delivered to NASA. Cathodes were pretested up to 100 mA at SRI and delivered to NASA for test in the gun structure.

Spindt, C. A.↗
DOE OSTI2012

A Damage Model for Degradation in the Electrodes of solid oxide fuel cells: Modeling the effects of sulfur and antimony in the anode

Over their designed lifetime, high temperature electrochemical devices, such as solid oxide fuel cells (SOFCs), can experience degradation in their electrochemical performance due to environmental conditions, operating conditions, contaminants, and other factors. Understanding the different degradation mechanisms in SOFCs and other electrochemical devices is essential to reducing performance degradation and increasing the lifetime of these devices. In this paper SOFC degradation mechanisms are discussed and a damage model is presented which describes performance degradation in SOFCs due to damage or degradation in the electrodes of the SOFC. A degradation classification scheme is presented that divides the various SOFC electrode degradation mechanisms into categories based on their physical effects on the SOFC. The application of the damage model and the classification method is applied to sulfur poisoning and antimony poisoning which occur in the anode of SOFCs. For sulfur poisoning the model is able to predict the degradation in SOFC performance based on the operating temperature and voltage of the fuel cell and the concentration of gaseous sulfur species in the anode. For antimony poisoning the effects of nickel removal from the anode matrix is investigated.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2015

Recent Advances in Continuum Modeling of Interfacial and Transport Phenomena in Electric Double Layer Capacitors

Here, whis paper reviews recent advances in physical modeling of interfacial and transport phenomena in electric double layer capacitors (EDLCs) under both equilibrium and dynamic cycling. The models are based on continuum theory and account for (i) the Stern layer at the electrode/electrolyte interface, (ii) finite ion sizes, (iii) steric repulsions, (iv) asymmetric electrolytes featuring ions with different valencies, effective diameters, or diffusion coefficients, (v) electric-field-dependent dielectric permittivity of the electrolyte, and/or (vi) porous three-dimensional morphology of the electrodes. Typical characterization methods such as electrochemical impedance spectroscopy, cyclic voltammetry, and galvanostatic cycling were reproduced numerically to identify the dominant physical phenomena and to gain insight into experimental observations. In addition, recent thermal models derived from first principles for EDLCs under constant-current cycling accounting for irreversible Joule heating and reversible heat generation rates due to ion diffusion, steric effects, and changes in entropy are discussed. Scaling analyses of both equilibrium and dynamic models are also presented as a way to identify self-similar and asymptotic behaviors as well as to develop design rules for electrodes and electrolytes of next generation EDLCs. Throughout the document, special effort has been made to compare model predictions with experimental observations and reported data.

25 ENERGY STORAGE↗
DOE OSTI2024

Viability of Additively Manufactured Electrodes for Lithium-Ion Batteries

As the global economy becomes increasingly electrified, the demand for batteries and energy storage is expected to rise significantly, particularly in the transportation and electricity sectors. Lithium-ion batteries (LIBs) are currently the most advanced and widely used technology in this field. Traditionally, LIBs are manufactured using simple 2D planar geometries to maximize production efficiency and minimize costs. However, this approach limits energy density due to the restricted design flexibility of the electrodes. Additive manufacturing (AM) offers a promising solution to enhance the energy density and efficiency of LIBs by enabling the design of architectures that reduce diffusive losses and allow for a greater amount of active material to be incorporated within the same device footprint, thereby minimizing the use of inactive materials. Different AM techniques come with their own set of limitations, including printing speed, material compatibility, and scale, which must be considered when designing electrodes. Scalable and cost-effective methods are particularly important for electric vehicle batteries, while achieving higher energy densities in microbatteries is crucial for the miniaturization of wearable electronics and medical devices. Here, in this study, we simulate various 3D porous electrode designs for LIBs using graphite and nickel manganese cobalt oxide (NMC) electrodes. These designs are selected to represent structures that could be produced using different AM techniques, such as direct ink writing, fused deposition modeling, and stereolithography. Our results indicate that at higher charging rates and increased areal mass loading, 3D structures can outperform traditional 2D electrodes, although the benefits may diminish with more complex designs that are harder to manufacture. The observed gains in energy density are attributed to improved electrode utilization and reduced diffusive energy losses. This comprehensive analysis of structure–performance relationships will provide valuable insights to guide future research on 3D designs, material selection, and AM techniques for additively manufactured battery electrodes.

25 ENERGY STORAGE↗
DOE OSTI2024

Modeling Rate Dependent Volume Change in Porous Electrodes in Lithium-Ion Batteries

Automotive manufacturers are working to improve individual cell, module, and overall pack design by increasing the performance, range, and durability, while reducing cost. One key piece to consider during the design process is the active material volume change, its linkage to the particle, electrode, and cell level volume changes, and the interplay with structural components in the rechargeable energy storage system. As the time from initial design to manufacture of electric vehicles decreases, design work needs to move to the virtual domain; therefore, a need for coupled electrochemical-mechanical models that take into account the active material volume change and the rate dependence of this volume change need to be considered. In this study, we illustrated the applicability of a coupled electrochemical-mechanical battery model considering multiple representative particles to capture experimentally measured rate dependent reversible volume change at the cell level through the use of an electrochemical-mechanical battery model that couples the particle, electrode, and cell level volume changes. By employing this coupled approach, the importance of considering multiple active material particle sizes representative of the distribution is demonstrated. The non-uniformity in utilization between two different size particles as well as the significant spatial non-uniformity in the radial direction of the larger particles is the primary driver of the rate dependent characteristics of the volume change at the electrode and cell level.

Electrochemistry↗
NASA NTRS1992

Mathematical modeling of a primary zinc/air battery

The mathematical model developed by Sunu and Bennion has been extended to include the separator, precipitation of both solid ZnO and K2Zn(OH)4, and the air electrode, and has been used to investigate the behavior of a primary Zn-Air battery with respect to battery design features. Predictions obtained from the model indicate that anode material utilization is predominantly limited by depletion of the concentration of hydroxide ions. The effect of electrode thickness on anode material utilization is insignificant, whereas material loading per unit volume has a great effect on anode material utilization; a higher loading lowers both the anode material utilization and delivered capacity. Use of a thick separator will increase the anode material utilization, but may reduce the cell voltage.

Mao, Z.↗