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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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Solid-state Architecture Batteries for Enhanced Rechargeability and Safety (SABERS) for Electric Aircraft

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.

Urban Air Mobility (UAM) Vehicles↗
NASA NTRS2018

Integrated Computational-Experimental Development of Lithium-Air Batteries for Electric Aircraft

The primary obstacle to enable NASA's vision of Green Aviation is the extraordinary energy storage requirements for electric aircraft. Significant advances in high energy, rechargeable, safe batteries are required to enable electric aviation. Boeing's SUGAR and NASA studies have identified 400 Wh/kg as the threshold energy density for general aviation and 750 Wh/kg for commercial regional air service. State of the Art Lithium Ion Battery (LIB) technology currently has a density of 200 Wh/kg and is expected to plateau at 300 Wh/kg due to fundamental chemistry limitations making it unsuitable for future electric aircraft. Additional demanding requirements include high power, rechargeability, and high safety. Such battery technology does not currently exist. The recent considerable activity in battery research (DOE, Tesla Gigafactory, etc) overwhelmingly has been geared towards reducing cost and improving safety of LIB technology in order to promote the adoption of electric automobiles; and thus it is expected to have little impact on electric aviation development. New battery materials will be needed for the "Beyond Li Ion" (BLI) technologies required for high energy, safe electric aviation. Li-Air batteries have the highest known theoretical energy density (3400 Wh/kg) and therefore and if realized promises to transform the global transportation system. These high energy batteries have the potential to meet the energy storage challenges of current and future NASA aeronautics and space missions in addition to many terrestrial transportation applications as well. However, this technology requires significant components development and integration, as it is currently unable to achieve aircraft requirements. The objective of this project is to leverage modern computational materials methods combined with battery multiphysics tools to develop radically advanced compatible cathode and electrolyte materials, build several Li-Air cells, and flight-demonstrate the corresponding Li-Air battery packs. A significant problem for current Lithium-Air batteries is large scale decomposition of the battery electrolyte during operation leading to battery failure after a handful of charge/discharge cycles. Therefore, development of large scale, ultra-high energy, rechargeable, and safe Lithium-Air batteries require highly stable electrolytes that are resistant to decomposition under operating conditions. A NASA-based cross-organizational "dream team" of high-powered experts combined integrated supercomputer modeling, fundamental chemistry analysis, advanced material science, and battery cell development to tackle this very challenging, multidisciplinary problem. The ultimate goal for the team is to develop an integrated experimental/computational infrastructure to produce a reliable predictive capability for the selection of optimal components, their fabrication parameters, and "design rules" of novel cell components for advanced ultra-high energy batteries that can meet energy storage challenges of NASA missions and many terrestrial transportation applications.

Li-air battery↗
DOE OSTI2022

Extreme fast charge aging: Correlation between electrode scale and heterogeneous degradation in Ni-rich layered cathodes

Extreme fast charging (XFC) is a key requirement for the adoption of battery-based electric vehicles by the transportation sector. However, XFC has been shown to accelerate degradation, causing the capacity, life, and safety of batteries to deteriorate. There are no systematic studies in the open literature regarding aging modes in Ni-rich Li y Ni 0.a Mn 0.b Co 0.c O 2 (NMCabc) cathodes caused by fast charging. Herein, we report the effects of cathode composition and electrode loading in pouch cells containing NMC532, 622 and 811 paired with graphite and cycled under XFC conditions. The relative anisotropic volume change in the unit cell increases with Ni content in low-loading cells, while it levels up for all three NMC cathodes in high-loading cells because of substantial Li plating. The amounts of lithium plating and heterogeneity on the anode, determined by crystallographic phase quantification, were found to be correlated with electrode loading and cathode heterogeneity. The concentrations of the transition metals deposited on the anodes depend on NMCabc composition in a complex way. More particle cracking and surface degradation was found in NMC811. Here, the findings in this work provide a new understanding of the failure mechanisms and their practical implications for compositional tuning of future high-Ni NMCabc cathode materials during fast charging.

25 ENERGY STORAGE↗
DOE OSTI2022

Extreme Fast Charging: Effect of Positive Electrode Material on Crosstalk

Extreme fast charging (XFC) is a key requirement for the adoption of battery-based electric vehicles by the transportation sector. However, XFC has been shown to accelerate degradation, causing the capacity, life, and safety of batteries to deteriorate. We tested cells containing five positive electrode chemistries, LFP (olivine structure), LMO (spinel), LCO (layered), NMC811 (layered) and NCA (layered), using fast-charging protocols. After testing, the negative electrodes from cells containing positive electrodes crystallizing with a layered structure were found to have more lithium deposited on their surfaces. Further, those crystallizing with a layered structure also tended to have a larger increase in impedance than those crystallizing with a spinel or olivine structure. Characterization of the negative electrodes by X-ray photoelectron spectroscopy showed that using the concentrations of LiF and Li x PO y F z as metrics, the concentration of LiF in the SEI from the cell with different positive electrodes is LFP > LMO > LCO ~ NMC811 > NCA; and for Li x PO y F z , the order is LMO > LFP > NCA > NMC811 > LCO. Clearly, the positive-electrode material was influencing the amounts of these materials formed.

25 ENERGY STORAGE↗
DOE OSTI2025

Control System Upgrade for Battery State-of-Charge Indications

The Advanced Test Reactor (ATR) Complex at Idaho National Laboratory (INL) relies on Battery Backed Power (BBP) systems and Uninterruptible Power Supplies (UPS) to ensure continuous power supply to critical components. This project aims to enhance the reliability and functionality of the battery monitoring and control systems by updating the State-of-Charge (SOC) system, Programmable Logic Controller (PLC), and Human-Machine Interface (HMI) for the nuclear safety-related battery banks. The current system, while functional, has areas for improvement, particularly in recharging calculations and alarm functions. The project objectives include developing flow charts, programming the new PLC and HMI, conducting bench tests, and updating design documentation. Additionally, the project ensures compliance with safety standards, develops training materials, creates comprehensive documentation, and integrates seamlessly with existing ATR infrastructure. The new SOC system is designed to be scalable for future upgrades, improve efficiency, enhance data accuracy, implement redundancy features, and achieve project goals within budget constraints while considering environmental impact. The methodology involved familiarizing with BBP and UPS systems, collecting current readings, rescaling signals, learning ladder logic, and updating the HMI. The transition from SLC 5/03 PLC using RS Logix 500 to CompactLogix 5380 using Studio 5000 was a key step. Despite challenges in transferring outdated PLC ladder logic and HMI code, starting from scratch led to a more accurate and efficient monitoring system, contributing to improved safety and operational efficiency. The project is currently awaiting approval of the Engineering Calculation and Analysis Report (ECAR) before implementation.

42 - ENGINEERING↗
DOE OSTI2025

Searching for a Pulse: Evaluating the Use of Rapid DC Pulses for Diagnosing Battery Health, State-of-Charge, and Safety

Rapid electrochemical diagnostics, like DC pulse sequences or electrochemical impedance spectroscopy, are known to be useful for capacity prediction. However, it is unclear how previous results will map to different cell types and use cases and whether rapid diagnostics are useful for remaining useful life prediction or for detecting potential safety issues. To that end, we have collected a data set with ∼50,000 DC pulse measurements from four types of commercial lithium-ion batteries to enable training of state-of-charge, health, and safety diagnostic models via machine-learning. We demonstrate that 120-second DC pulse sequences can be used to predict capacity with 2%–9% average error, which can separate high- from low-capacity cells with only a 0.3% false positive rate but is not accurate enough to estimate remaining useful life. We also find that no safety related targets can be accurately predicted, highlighting the critical need for other non-invasive methods to diagnose battery safety.

25 ENERGY STORAGE↗
DOE OSTI2021

Modeling cell venting and gas-phase reactions in 18650 lithium ion batteries during thermal runaway

A numerical model is developed to study cell venting, internal pressure, and gas-phase dynamics behavior of 18650 Li-ion cells undergoing thermal runaway. A k-e Reynolds-Averaged Navier-Stokes (RANS) model is adopted to describe the turbulent flow out of the cells, while the fluid dynamics inside the cells is described by Darcy-Forchheimer's equation. Thermal abuse reactions and gas generation kinetics are described by a single-step lumped reaction model. Then, a series of computational fluid dynamics (CFD) simulations are conducted on a single 18650 cell at various states-of-charge (100%, 50%, 25%) to study detailed flow and thermal behavior as a function of quantity of gas generated during cell venting. Venting events are categorized into two stages: i) breaching of the cell container and ii) thermal runaway reactions. It is found that the cell response is dominated by the second stage since most of the gases are generated during thermal runaway. Also, the propensity for propagation is highly affected by state-of-charge (SOC). Cells at higher SOCs produce more heat and gas during the venting event, owing to higher mass and concentrations of reacting gases, and consequently reach higher internal cell pressures which increase the risk of side-wall breaching.

25 ENERGY STORAGE↗
DOE OSTI2025

Addressing the Safety of Next-Generation Batteries

Owing to increasing demand for low-cost energy storage with secure material supply chains, the battery community is approaching a pivotal shift beyond conventional lithium-ion (Li-ion) towards next-generation cells. Technologies that include alkali-metal anodes, solid electrolytes and earth-abundant materials such as sodium (Na) and sulfur (S) are reaching commercialization in cells. The abuse tolerance and thermal runaway hazards of such technologies diverge from conventional Li-ion cells. Consequently, designing safe batteries with next-generation materials requires a holistic approach to characterize cells and to understand their responses to abuse conditions from the beginning to the end of life. Here we provide a Perspective on how the safety and abuse tolerance of cells are likely to change for up-and-coming technologies; challenges and opportunities for reimagining safe cell and battery designs; gaps in our knowledge; capabilities for understanding the hazards of thermal runaway and how to address them; how standard abuse tests may need to adapt to new challenges; and how research needs to support affected professionals, from pack designers to first responders, to manage hazards and ensure safe roll-out of next-generation cells into applications like electric vehicles (EVs). Finally, given the large number of next-generation technologies being explored, we encourage giving priority to safety-focused research in proportion to the rate of manufacturing scale-up of each specific technology.

25 ENERGY STORAGE↗
DOE OSTI2024

Factors Influencing Gas Evolution from High‐Nickel Layered Oxide Cathodes in Lithium‐Based Batteries

Abstract Gas evolution from high‐nickel layered oxide cathodes (>90% Ni) remains a major issue for their practical application. Gaseous species, such as CO 2 , O 2 , and CO, that are evolved at high states of charge (SOC) worsen the overall safety of batteries, as pressure build‐up within the cell may lead to cell rupture. Since these gasses are produced during cathode degradation, tracking the formation of gasses is also important in diagnosing cathode failure. Online electrochemical mass spectrometry (OEMS) is a powerful in situ technique to study gas evolution from the cathode during high‐voltage charge. However, the differences in the OEMS experimental setups between different groups make it challenging to compare results between groups. In this perspective, the various factors that influence gas evolution based on the OEMS results collected in this group are presented. The focus is on the conditions that lead to gas release, with a particular emphasis on reactive oxygen formation and subsequent chemical reactions with the electrolyte. Promising strategies, such as electrolytes, compositional tuning, and surface coatings that are effective at suppressing gas evolution from the cathode are highlighted. Critical insights into mitigating cathode degradation and gas evolution are provided to guide the development of safer, high‐energy batteries.

Chemistry↗
DOE OSTI2020

A new approach to both high safety and high performance of lithium-ion batteries

We present a novel concept to achieve high performance and high safety simultaneously by passivating a Li-ion cell and then self-heating before use. By adding a small amount of triallyl phosphate in conventional electrolytes, we show that resistances of the passivated cells can increase by ~5×, thereby ensuring high safety and thermal stability. High power before battery operation is delivered by self-heating to an elevated temperature such as 60°C within tens of seconds. The present approach of building a resistive cell with highly stable materials and then delivering high power on demand through rapid thermal stimulation leads to a revolutionary route to high safety when batteries are not in use and high battery performance upon operation.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Generative Electrolyte Solvent and Formulation Discovery

Molecular mixtures and/or formulations are of great importance in fields ranging from materials science to pharmaceuticals to chemistry. In batteries, electrolytes are complex molecular mixtures consisting of multiple salts and solvents and additives at different concentrations that dictate battery capacity, safety, and cycle life, among others. Unfortunately, due to the complex composition and infinite design space as well as the conflicting property requirements, electrolyte design is the rate-determining step in the design of next generation battery chemistries. In this work, we develop a transformer-based generative AI model − ElectrolyteGPT − capable of generating solvents and electrolyte formulations to satisfy a wide range of desired property requirements. First, we curate an electrolyte-relevant database and develop a new line notation for formulations. Then, we show that ElectrolyteGPT can generate solvents and formulations conditioned on a wide range of important electrolyte properties such as ionic conductivity, oxidative stability, Coulombic efficiency, viscosity, and more. Finally, we experimentally synthesize the generated solvents and fabricate the electrolyte formulations and show that they can meet the desired property requirements and enable longterm cycling in energy-dense anode-free lithium metal batteries. Our work showcases the ability of generative models to address challenges in molecular mixture design for next generation batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Quantum prediction of ultra-low thermal conductivity in lithium intercalation materials

Lithium-intercalated layered transition-metal oxides, Li x TMO 2, brought about a paradigm change in rechargeable batteries in recent decades and show promise for use in memristors, a type of device for future neural computing and on-chip storage. Thermal transport properties, although being a crucial element in limiting the charging/discharging rate, package density, energy efficiency, and safety of batteries as well as the controllability and energy consumption of memristors, are poorly managed or even understood yet. Here, for the first time, we employ quantum calculations including high-order lattice anharmonicity and find that the thermal conductivity κ of Li x TMO 2 materials is significantly lower than hitherto believed. More specifically, the theoretical upper limit of κ of LiCoO 2 is 6 W/m-K, 2–6 times lower than the prior theoretical predictions. Delithiation further reduces κ by 40–70% for LiCoO 2 and LiNbO 2 . Grain boundaries, strain, and porosity are yet additional causes of thermal-conductivity reduction, while Li-ion diffusion and electrical transport are found to have only a minor effect on phonon thermal transport. The results elucidate several long-standing issues regarding the thermal transport in lithium-intercalated materials and provide guidance toward designing high-energy-density batteries and controllable memristors.

25 ENERGY STORAGE↗
DOE OSTI2024

Effects of Trigger Method on Fire Propagation during the Thermal Runaway Process in Li-ion Batteries

Lithium-ion batteries are prone to fire hazards due to the possibility of thermal runaway propagation. During battery product development and subsequent safety tests for design validation and safety certification, the thermal runaway onset is triggered by various test methods such as nail penetration, thermal ramp, or external short circuit. This failure initiation method affects the amount of heat contributions and the composition of gas generations. This study compares two such trigger methods, external heating and using a thermally-activated internal short circuit device (ISCD). The effects of the trigger method on total heat generation are experimentally investigated within 18650 cylindrical cells at single cell level as well as at multiple cell configuration level. The severity of failure was observed to be worse for cells with ISCDs at single cell level, whereas quite the opposite results were observed at multiple cell configuration level. A preliminary numerical analysis was performed to better understand the battery safety performance with respect to thermal runaway trigger methods and heat transfer conditions.

25 ENERGY STORAGE↗
DOE OSTI2020

Nanocomposite Ionogel Electrolytes for Solid‐State Rechargeable Batteries

Abstract Ionogels composed of ionic liquids and gelling solid matrices offer several advantages as solid‐state electrolytes for rechargeable batteries, including safety under diverse operating conditions, favorable electrochemical and thermal properties, and wide processing compatibility. Among gelling solid matrices, nanoscale materials have shown particular promise due to their ability to concurrently enhance ionogel mechanical properties, thermal stability, ionic conductivity, and electrochemical stability. These beneficial attributes suggest that ionogel electrolytes are not only of interest for incumbent lithium‐ion batteries but also for next‐generation rechargeable battery technologies. Herein, recent advances in nanocomposite ionogel electrolytes are discussed to highlight their advantages as solid‐state electrolytes for rechargeable batteries. By exploring a range of different nanoscale gelling solid matrices, relationships between nanoscale material structure and ionogel properties are developed. Furthermore, key research challenges are delineated to help guide and accelerate the incorporation of nanocomposite ionogel electrolytes in high‐performance solid‐state rechargeable batteries.

Hyun, Woo Jin↗
DOE OSTI2021

Improving Cost and Safety with Cathode-Healing and Whole Battery Deactivation

Lithium-ion recycling is challenged by cost and safety related to reactivity of lithium and electrolytes. OnTo’s deactivation eliminates flammability and residual reactivity enabling a roadmap for safe, low-cost end-of-life battery services essential to the industry. Deactivation coupled with Cathode-healing provides safety and efficiency in material recycling that can be applied all along the manufacturing value chain. Dr. Sloop will present recent developments in application and scale of these innovative technologies.

25 ENERGY STORAGE↗