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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Between Harmonic Crystal and Glass: Solids with Dimpled Potential-Energy Surfaces Having Multiple Local Energy Minima

Solids with dimpled potential-energy surfaces are ubiquitous in nature and, typically, exhibit structural (elastic or phonon) instabilities. Dimpled potentials are not harmonic; thus, the conventional quasiharmonic approximation at finite temperatures fails to describe anharmonic vibrations in such solids. At sufficiently high temperatures, their crystal structure is stabilized by entropy; in this phase, a diffraction pattern of a periodic crystal is combined with vibrational properties of a phonon glass. As temperature is lowered, the solid undergoes a symmetry-breaking transition and transforms into a lower-symmetry phase with lower lattice entropy. Here, we identify specific features in the potential-energy surface that lead to such polymorphic behavior; we establish reliable estimates for the relative energies and temperatures associated with the anharmonic vibrations and the solid–solid symmetry-breaking phase transitions. We show that computational phonon methods can be applied to address anharmonic vibrations in a polymorphic solid at fixed temperature. To illustrate the ubiquity of this class of materials, we present a range of examples (elemental metals, a shape-memory alloy, and a layered charge-density-wave system); we show that our theoretical predictions compare well with known experimental data.

36 MATERIALS SCIENCE↗
NASA NTRS2023

Solid-State Architecture Batteries for Enhanced Rechargeability and Safety (SABERS): Advanced Battery Technology for Sustainable Aviation

All-electric vertical take-off and landing vehicles (eVTOL) for urban air mobility (UAM) concepts face numerous challenging technical barriers before their introduction into the consumer marketplace. The primary barrier to overcome is developing an energy storage system capable of meeting the rigorous aerospace safety and performance criteria. The performance metrics for eVTOL vehicles are at least two times greater than those of electric ground vehicles. Furthermore, inherently non-flammable batteries are essential for safe operation of commercial electric aerovehicles. The SABERS concept proposes a battery that meets the key performance criteria through development of a solid-state architecture battery utilizing high-capacity sulfur-selenium cathode and lithium metal anode. The combination of sulfur and selenium offers a balanced energy-to-power density ratio, which can be tailored to the specific application by altering the stoichiometric ratios of sulfur to selenium. This hybrid cathode will be developed by implementing NASA patented holey graphene technology as a highly conductive, ultra-lightweight electrode scaffold. A solid-state electrolyte will be used as a safe, non-flammable replacement to the highly flammable liquid organic electrolytes currently used in SOA lithium-ion batteries. This solid-state lithium-sulfur/selenium cell will be designed into a serial stacking configuration to enable dense packaging of the battery cells. The serial stacking configuration is termed a bipolar stack, which has the advantages of reducing overall cell weight, simplifying the interfaced connections for the cell, and minimizing the cooling requirements. Lastly, optimization of battery components will occur through a robust and rigorous combination of various computational modeling techniques covering multiple length scales. The expected result will be a fully solid-state battery with operational temperatures up to 150 °C which provides the required energy density, discharge rates, and inherent safety to meet the strict aerospace mission performance criteria. This presentation will demonstrate a feasible path for solid-state cells that possess a specific energy of greater than 400 Wh/kg to enable electric aircraft. The presentation will also explore novel materials and computational models used to achieve all solid-state cells that operate safely at very high temperatures and specific energies. The cells can withstand damage while operating without an increase in temperature or spontaneous ignition.

Urban Air Mobility (UAM) Vehicles↗
NASA NTRSDate not supplied

Fabricating Solid-State Batteries for Electric Aviation

All-solid-state lithium batteries are widely reputed as the next major step in energy storage technology on account their drastically improved safety over wet cells, as solid electrolytes lack the volatile compounds in wet electrolytes that make them combustible. This enhanced safety enables a far wider range of products and vehicles to go fully electric and aligns with future NASA missions that require high performing, reliable, and safe batteries. However, they currently face issues with implementation in consumer products due to the often-poor mechanical properties of the solid electrolyte and relative difficulty to manufacture. Typical solid-state electrolyte challenges were bypassed by incorporating a range of polymeric binders into a solid electrolyte suspension and cast onto a composite carbon-sulfide cathode to create a single bilayer film. The resulting films display superior flexibility and durability compared to solid-electrolyte films typically discussed in literature without compromising the thinness of the films. The bilayer film was then punched into 12.7 cm diameter discs and 4 cm by 5 cm sheets, pressed, and assembled into coin cells and pouch cells respectively.

Batteries↗
DOE OSTI2020

A Metal Organic Framework Derived Solid Electrolyte for Lithium–Sulfur Batteries

Lithium–sulfur batteries (LSBs) are currently considered as promising candidates for next-generation energy storage technologies. However, their practical application is hindered by the critical issue of the polysulfide-shuttle. Herein, a metal organic framework (MOF)-derived solid electrolyte is presented to address it. The MOF solid electrolyte is developed based on a Universitetet i Oslo (UIO) structure. By grafting a lithium sulfonate (-SO 3 Li) group to the UIO ligand, both the ionic conductivity and the polysulfide-suppression capability of the resulting -SO 3 Li grafted UIO (UIOSLi) solid electrolyte are greatly improved. After integrating a Li-based ionic liquid (Li-IL), lithium bis(trifluoromethanesulfonyl)imide in 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, the resulting Li-IL/UIOSLi solid electrolyte exhibits an ionic conductivity of 3.3 × 10 -4 S cm -1 at room temperature. Based on its unique structure, the Li-IL/UIOSLi solid electrolyte effectively restrains the polysulfide shuttle and suppresses lithium dendritic growth. Lithium–sulfur cells with the Li-IL/UIOSLi solid electrolyte and a Li 2 S 6 catholyte show stable cycling performance that preserves 84% of the initial capacity after 250 cycles with a capacity-fade rate of 0.06% per cycle.

25 ENERGY STORAGE↗
DOE OSTI2022

Novel Segregated Solid Propulsion System with Separately Stored Fuel and Oxidizer

Abstract The development and experimentation of a solid propulsion concept consisting of separate hydrogen‐rich solid propellant and solid oxidizer grains is presented. This system consists of an extremely fuel‐rich solid propellant, which, once ignited, undergoes a self‐sustaining decomposition to release fuel‐rich product gases, which are particularly rich in hydrogen gas. These relatively high‐temperature gases subsequently react with a solid oxidizer grain stored downstream. Progress in high‐nitrogen materials has allowed for the synthesis of fuel‐rich compounds that can store significant amounts of hydrogen, with little or no bound oxygen. With these new developments in propellant chemistry, a unique segregated propulsion system has been developed, creating an all‐solid propulsion system that combusts analogously to a reverse hybrid rocket system. Because of the physical separation of fuel and oxidizer, a higher level of safety is achieved which concurrently allows for the utilization of higher energy ingredients without the penalty of higher sensitivity. Theoretical performance calculations and experimental data have shown the potential for this system to compete with existing composite rocket propellants while having significant benefits in terms of safety, toxicity, and mission space. This paper presents a detailed overview of the conception, development, and testing of this propulsion system.

42 ENGINEERING↗
DOE OSTI2023

Solvent-free and low temperature synthesis of chalcogenide Na superionic conductors for solid-state batteries

Sodium chalcogenide ionic conductors are attractive candidates as solid electrolytes (SEs) in solid-state Na metal batteries. They show the advantages of high ionic conductivity of 10 –4 –10 –2 S cm –1 at room temperature and great chemical stability in air. However, simple, efficient, and scalable approaches for the synthesis of chalcogenide solid electrolytes (SEs) are required. In this work, we report a solvent-free mixing to form dry intermediate products, which are subjected to different treatments (electron-beam assisted method or low temperature heating (≤150 °C)) to produce pure phase of Na 3 SbS 4-y Se y (0 ≤ y < 2) chalcogenides. Heavy Se-doping in Na 3 SbS 4 results in the tetragonal-to-cubic phase transition as well as a significant change of Sb-S bonding in Raman spectra. Among all chalcogenide SEs, Na 3 SbS 3 Se showed the highest ionic conductivity of 3.75 × 10 –4 S cm –1 at room temperature, 47% higher than that of pristine Na 3 SbS 4 . Moreover, the Se-dopant also enhanced the electrochemical stability towards Na metal in solid-state batteries. The solid-state Na||FeS 2 battery with Na 3 SbS 3 Se SE displayed long-term cycling ability up to 1,000 cycles within the voltage window of 1.0–2.7 V and retained a specific capacity of 105 mAh g –1 after 600 cycles. As a result, this technique promotes the practical applications of chalcogenide SEs in solid-state batteries.

25 ENERGY STORAGE↗
DOE OSTI2024

Probing degradation at solid-state battery interfaces using machine-learning interatomic potential

Solid-state batteries featuring fast ion-conducting solid electrolytes are promising next-generation energy storage technologies, yet challenges remain for practical deployment due to electro-chemo-mechanical instabilities at solid-solid interfaces. These interfaces, which include homogeneous/internal interfaces such as grain boundaries (GBs) and heterogeneous/external interfaces between solid-electrolyte and electrode materials, can impede Li-ion transport, deteriorate performance, and eventually lead to cell failure. Here, in this study, we leverage large-scale molecular simulations, enabled by validated machine-learning interatomic potentials, to directly probe the onset of interfacial degradation at the garnet Li 7 La 3 Zr 2 O 12 (LLZO) solid-electrolyte/LiCoO 2 (LCO) cathode interface. By surveying different interfacial geometries and compositions, it is found that Li-deficient interfaces can lead to severe interfacial disordering with cation mixing and Co interdiffusion from LCO into LLZO. By contrast, Li-sufficient interfaces are less disordered, although elemental segregation with local ordering is observed. As a consequence of Co interdiffusion, Co-rich regions are formed at the GBs of LLZO due to cation segregation and trapping effects. This behavior is independent of the GB tilting axis, degree of disorder at the GBs, and Co concentration, which implies Co clustering at GBs is a general phenomenon in polycrystalline LLZO and can dictate its overall transport and mechanical properties. Our findings elucidate the underlying fundamental mechanisms that give rise to experimentally observed physicochemical properties and provide guidelines for interface design that can mitigate interfacial degradation and improve cycling performance.

25 ENERGY STORAGE↗
DOE OSTI2023

A constitutive framework for rocks undergoing solid dissolution

Here, we formulate a time-dependent damage theory for rocks subjected to mechanical deformation and solid dissolution. The constitutive description is inspired by the transition state theory, which states that the rate of dissolution is a function of the reactive surface area measured through the crack density in the volume. We use a gradient-enhanced damage framework in which damage depends on the deformation of the material as well as on the amount of solid mass dissolved over time. The gradient-enhanced formulation is characterized by a three-field variational formulation with the solid displacement, nonlocal equivalent strain, and nonlocal rate of solid dissolution as the basic state variables. Traditionally, time-independent damage theories have only allowed damage to increase with increasing external load. In the proposed framework, the degree of damage may increase due to solid dissolution even when the external load is held fixed. In this way, solid dissolution is viewed as a process that is responsible for bringing about rate-dependent effects such as creep and stress-relaxation, which are two common features of geomaterial behavior.

42 ENGINEERING↗
DOE OSTI2024

In-situ electrochemical optical techniques in the investigation of lithium interfacial phenomena with a liquid and a solid-state electrolyte

An in-situ electrochemical optical diagnosis is the key to the investigation of electrode interface during a redox reaction. Because the morphology changes particularly, dendrite formation, dendrite shapes, solid electrolyte interface formation and gas generation can be revealed visually. The challenge of ensuring uniform current density on a flat Li anode in a liquid electrolyte was addressed and uniform Li plating was demonstrated. The dendrite shape change under different reduction current density was discussed. Here the Li dendrite shape change and the performance of Li anodes with a surface lamination of graphite and red phosphate were used as examples to demonstrate the capability of the in-situ optical cell. An in-situ electrochemical optical cell used in the investigation of the increasingly popular solid-state Li batteries has its own challenges. Due to the untransparent nature of a solid-state electrolyte, an optical investigation on a solid-state electrolyte Li battery needs to be done by exposing the cross-section of the cell. In addition, it is very difficult to assemble an optical cell with a brittle and fragile solid-state electrolyte in a glove box. A set of formation and transfer dies, and an optical cell were introduced. The Li dendrite growth at the interface can be observed in a solid-state Li cell.

25 ENERGY STORAGE↗
DOE OSTI2021

Investigation of glass-ceramic lithium thiophosphate solid electrolytes using NMR and neutron scattering

Solid-state Li batteries require solid electrolytes which have high Li+ conductivity and good chemical/mechanical compatibility with Li metal anodes and high energy cathodes. Structure/function correlations which relate local bonding to macroscopic properties are needed to guide development of new solid electrolyte materials. This study combines diffraction measurements with solid-state nuclear magnetic resonance spectroscopy (ssNMR) and neutron pair distribution function (nPDF) analysis to probe the short-range vs. long-range structure of glass-ceramic Li 3 PS 4 -based solid electrolytes. Here, we demonstrate how different synthesis conditions (e.g., solvent selection and thermal processing) affect the resulting polyanionic network. More specifically, structures with high P coordination numbers (e.g., PS 4 3– and P 2 S 7 4– ) correlate with higher Li + mobility compared to other polyanions (e.g., (PS 3 ) n n– chains and P 2 S 6 4– ). Overall, this work demonstrates how ssNMR and nPDF can be used to draw key structure/function correlations for solid-state superionic conductors.

36 MATERIALS SCIENCE↗
DOE OSTI2020

High-Performance Solid-State Lithium-Ion Battery with Mixed 2D and 3D Electrodes

It is well established that the miniaturization of batteries has not kept pace with the miniaturization of electronics. Three-dimensional (3D) batteries, which were developed with the intent of improving microbattery performance, have had limited success because of fabrication challenges and material constraints. Solid-state, 3D batteries have been particularly susceptible to these shortcomings. In this paper we demonstrate that the incorporation of a high conductivity, solid electrolyte is the key to achieving a non-planar solid-state battery with high areal-capacity and high power-density. The model, 2.5D platform used in this study is a modification of the more typical 3D configuration in that it is comprised of a cathode array of pillars (3D) and a planar (2D) anode. This 2.5D geometry exploits the use of a high conductivity, ionogel electrolyte (10 -3 S cm -1 ) which interpenetrates the 3D electrode array. The 2.5D battery offers high areal energy densities from the post array while the high-conductivity, solid electrolyte enables high power densities (3.7 mWh cm -2 at 2.8 mW cm -2 ). Here, the reported solid-state 2.5D device exceeds the energy and power densities of any 3D solid-state system and the derived multiphysics model provides guidance for achieving significantly higher energy and power densities.

2.5D batteries↗
DOE OSTI2019

On Thermodynamic and Kinetic Mechanisms for Stabilizing Surface Solid Solutions

Many processes for energy storage rely on transformations between phases with strong separation tendencies. In these systems, performance limitations can arise from undesirable chemical and mechanical factors associated with the phase separation behavior. Solid solutions represent a desirable alternative, provided the conditions for their formation are known. In the present work, we invoke linear stability theory and diffuse-interface mesoscopic simulations to demonstrate that solid solutions can be stabilized near surface layers of phase-separating systems. Two factors are found to drive surface solid-solution formation: surface relaxation of solution self-strain energy and anisotropy of diffusion mobility. Using a strongly phase-separating LiXFePO4 particle as a model system, we show that the relaxation of the solution self-strain energy competes against the relaxation of the coherency strain energy to stabilize surface solid solutions. Our theoretical understanding also suggests that highly anisotropic diffusion mobility can provide an alternative kinetic route to achieve the same aim, with stabilizing behavior strongly dependent on the specific alignment of the surface orientation. Our findings provide fundamental guidance for manipulating solid-solution behavior in nanoscale structures, in which surface effects become especially significant. Beyond energy storage materials, our findings have important implications for understanding solid-solution formation in other phase-separating systems from metal alloys to ceramics.

25 ENERGY STORAGE↗
DOE OSTI2021

Modeling the electrical double layer at solid-state electrochemical interfaces

Models of the electrical double layer (EDL) at electrode/liquid-electrolyte interfaces no longer hold for all-solid-state electrochemistry. Here we show a more general model for the EDL at a solid-state electrochemical interface based on the Poisson–Fermi–Dirac equation. By combining this model with density functional theory predictions, the interconnected electronic and ionic degrees of freedom in all-solid-state batteries, including the electronic band bending and defect concentration variation in the space-charge layer, are captured self-consistently. Along with a general mathematical solution, the EDL structure is presented in various materials that are thermodynamically stable in contact with a lithium metal anode: the solid electrolyte Li 7 La 3 Zr 2 O 12 (LLZO) and the solid interlayer materials LiF, Li 2 O and Li 2 CO 3 . Here, the model further allows design of the optimum interlayer thicknesses to minimize the electrostatic barrier for lithium ion transport at relevant solid-state battery interfaces.

25 ENERGY STORAGE↗
DOE OSTI2020

Analysis of H-Canyon 6.4D Dissolver Solid

During reconfiguration of the 6.4D dissolver for the dissolution of High Flux Isotope Reactor (HFIR) fuel, solid material was observed on the bottom of the dissolver pot. Samples of the solids were taken from the north and south side of the 6.4D pot and were transported to the Savannah River National Laboratory (SRNL) for characterization. The samples were initially dried, and then a small portion of each sample set was removed, and rinsed with either 1 M HNO 3 or 6 M HNO 3 . A portion of each unrinsed and rinsed sample was dissolved and analyzed for elemental and radiochemical concentrations. Results from the analyses indicated that the solids were primarily Si, Fe, Al, and Cr. The U content in the initial dried, unrinsed solids was 0.380 wt %, but was reduced to 0.057 wt % in the rinsed solids, indicating the majority of the U was mostly soluble in HNO 3 . Small amounts of Pu were measured at 0.010 wt % in both the rinsed and unrinsed solids.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Safe, Low-Cost, High Energy-Density, Solid-State Li-Ion Batteries

We developed intrinsically safe, robust, low-cost, high-energy-density solid-state Li-ion batteries, by integrating high conductivity garnet-type solid Li ion electrolytes and several different cathodes in tailored microstructures, fabricated by low-cost supported thin-film ceramic techniques, to overcome the primary technological barriers to next generation battery technology. In this ARPA-E project we employed Li-garnet solid-state electrolytes pioneered by one of the co-investigators (Thangadurai) which has room temperature (RT) conductivity of ~10 -3 S cm -1 . The highly stable garnet SSE allowed the use of S, NMC, and other cathodes with Li metal anodes without stability or flammability concerns. We studied the garnet’s stability when exposed to CO 2 and humidity (with or without an ALD coating) and showed that the material can be processed in ambient air for most steps prior to battery assembly, significantly reducing production costs. We extensively studied and scaled up the synthesis of the powder and explored external suppliers of garnet to determine the best pathway for commercial success. We used low-cost and scalable tapecasting fabrication methods to create porous-dense-porous “trilayer” solid electrolyte microstructures with a ~20 μm separating dense layer, and >70% porosity porous layers to host the electrodes. These scalable multilayer ceramic fabrication techniques, without need for dry rooms or vacuum equipment, also provide for dramatically reduced manufacturing costs. The tailored microstructured electrode supports (scaffold) increased interfacial area ~50x, overcoming the high impedance typical of planar geometry SSLiBs, resulting in record-setting 10 mA/cm 2 lithium cycling in a symmetric cell. We expanded our tapecasting ability and showed tapes >25m in length by the end of the project. We demonstrated the ability to sinter garnet without the use of a garnet powderbed, which could have been a major obstacle and waste of material at scale. At the same time, we expanded the size of our trilayers from coin cells (0.7 cm 2 ) to the full format design (30 cm 2 ). To develop full cells, we demonstrated 250 Wh/kg at room temperature with commercial NMC electrode films in a bilayer configuration. Similarly, we demonstrated 280 Wh/kg trilayer Li-S cells at room temperature with >90% capacity retention over 300 cycles. At 90°C we demonstrated 350 Wh/kg with a Li-S trilayer. The high thermal stability of the garnet electrolyte also enabled extended cycling (400 cycles) of a Li-TiS 2 cell at 150 °C, showcasing the exceptional safety and nonflammability of the solid-state trilayer batteries. Ion Storage Systems has taken this technology and knowledge to produce trilayer garnet electrolytes and is building out facilities to commercialize high performance solid state batteries. ISS has hired a strong staff, identified and communicated with a large number of potential partners, and successfully secured follow-on funding.

25 ENERGY STORAGE↗
DOE OSTI2022

Composite Solid Ion Conductor with Engineered Lithium Interface

Successful widespread commercialization of electric vehicles is contingent upon development of safe high energy density batteries capable of long cycle life. Lithium metal affords the highest theoretical capacity (3,860 mAh/g) and lowest electrochemical potential (-3.04V vs SHE), which offers the highest specific energy density of anode materials today. While Li-ion batteries are capable of delivering energy densities of 400-600 Wh/kg, the development of lithium metal batteries such as Li-S and Li-air may boost this number up to 650 and 950 Wh/kg, respectively. However, significant progress towards the passivation of lithium metal must occur before the energy density benefit can be realized. Issues with lithium dendrite formation, anode volume expansion, and continuous solid electrolyte interphase (SEI) build-up often result in significant safety concerns, high cell resistance, and poor cycle life. The intrinsic high reactivity between lithium metal with conventional lithium ion electrolytes (organic carbonate-based solvents) makes it extremely difficult to overcome these problems. In this project, Wildcat performed focused, fundamental research and development on composite polymer/ceramic electrolytes and protected lithium metal anodes to develop an all solid state lithium metal battery targeting the DOE requirements to enable commercialization. Wildcat successfully leveraged its high throughput battery platform and explored a broad composite electrolyte compositional space. Additionally, Wildcat screened large numbers of inorganic and organic coatings for lithium metal protection using in situ liquid methods and translated the best results to all solid cells. The proposed composite polymer/ceramic electrolyte and a protected lithium metal anode enabled a solid-state lithium metal battery. The ultimate targets from this effort will deliver a safe all solid-state lithium metal pouch cell with over 350 Wh/kg and over 1,000 cycles (C/3) with the cost estimate below $100/kWh. During the course of the project, we demonstrated stable cycling of 10’s of cycles with the composite SSE and our protected lithium. The work has continued after the conclusion of the DOE funding, demonstrating further improvements in catholyte composition and thinner composite solid electrolytes.

25 ENERGY STORAGE↗
NASA NTRS1994

CoSb(sub 3)-IrSb(sub 3)Solid Solutions: Preparations and Characterization

The binary antimonide compounds of the skutterudite family have a good potential for thermoelectric applications as recent results at JPL have shown. However, the room temperature thermal conductivity of these materials is about 10 Wm(sup -1)K(sup -1) with an 80 % contribution from the lattice. To achieve maximum ZT values, the lattice thermal conductivity needs to be lowered. Because the lattice thermal conductivity of solid solutions can substantially decrease due to the addition of point defect phonon scattering (all state-of-the-art thermoelectric materials are solid solutions), a study of the formation of solid solutions between the antimonide skutterudite compounds is of interest. The preparation and characterization of both p-type and n-type CoSb(sub 3)-IrSb(sub 3) solid solutions by several techniques is reviewed in this paper. Experimental results showed that solid solutions were successfully formed in a wide range of compositions. The changes in the thermoelectric properties indicated the influence of a strong point defect scattering, resulting in large decreases in Hall mobility and thermal conductivity. The potential for high ZT values in CoSb(sub 3)-IrSb(sub 3) solid solutions is discussed.

mobility↗
NASA NTRSDate not supplied

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↗