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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Transient Chemo‐Mechanical Model of Lithium Plating Impacted by External Pressure

Abstract Lithium anodes show great promise in commercial applications, but are hindered by lithium plating and dendrite growth which cause safety concerns during long‐term cell operation. Stack pressure is experimentally observed to improve cell lifetime; however, the relationship between stress and lithium deposition has remained difficult to elucidate. In this work, a transient, 3D, finite‐element model of the evolution of a lithium anode due to stripping and plating is developed. The evolution of a microscale protrusion on the anode surface is tracked over one charge‐discharge cycle with respect to stack pressure and lithium yield strength. Lithium plastic deformation, nonconformal anode‐separator contact, and separator porosity effects are accounted for. Over the course of several hours of stripping/plating, the anode surface evolves to a similar morphology under pressure regardless of the initial conditions due to lithium plastic deformation and hardening. The rate of this evolution highly depends on the applied pressure and assumed lithium yield strength.

25 ENERGY STORAGE↗
DOE OSTI2026

Modeling the influence of the solid electrolyte interphase on the sand’s time and dendrite formation on lithium metal electrodes

Lithium metal is a sought after battery material for its high energy density due to the low electrochemical potential and density. However, lithium metal is also highly reactive, which results in a strong propensity for dendrite formation. The Sand’s time has previously been used to predict the time of dendrite initiation on metals that do not form a solid-electrolyte interphase (SEI), but it has been shown that the Sand’s time is not accurate for lithium electrodes when using transport parameters associated with the electrolyte. Thus, we built a numerical model to simulate lithium ion transport through a growing SEI to predict the Sand’s time. The numerical model is shown to be more accurate than previous analytical solutions, especially for low current densities. We then analyze the sensitivity of the Sand’s time to different SEI properties and the chemical potential gradients present in the SEI, driving lithium transport. The results showed that high lithium concentration has a greater impact at high current density, while fast diffusivity is more important at low current density. Lastly, we modeled the influence of surface roughness on the plating evolution and chemical potential gradients when an SEI is present in comparison to the electrolyte. As a result, we demonstrate that the SEI plays a critical role in lithium electrode stability, and that improved characterization techniques are needed to better understand transport through the SEI and increase lithium metal utilization in energy storage devices.

Chemistry↗
DOE OSTI2026

Variations in lithium vapor cave performance predictions due to radial transport and recycling assumptions

The lithium vapor cave is a detached divertor design that uses a single private flux region baffle to contain a dense cloud of lithium vapor to dissipate heat flux. Plasma flows are created via fuel gas puffing in order to minimize lithium contamination of the main plasma. Significant modeling using the 2D edge code SOLPS-ITER has already been performed, predicting that sufficient target heat flux reductions (q$^{max}_{Target}$ MW m −2 ) with ( $n$ Li /$n$ e ) LCFS < 0.05 is possible in a case with 90 MW m −2 unmitigated heat flux in NSTX-U. Low heat flux and low upstream concentration was found with a variety of combinations of divertor geometries, target recycling coefficients, upstream plasma parameters, lithium evaporation locations and deuterium fueling locations, with variations in performance found for each design choice. However, the most universal uncertainty of SOLPS-ITER simulations has until now remained unaddressed systematically, namely the cross-field anomalous particle and heat diffusivities. This article aims to bound the uncertainty in lithium concentration prediction as a result of the assumed deuterium cross-field transport and recycling. For the simulations presented here, a factor of 2.1 increase in the upstream lithium density prediction across a factor of four decrease to the assumed deuterium radial particle diffusivity is found. This result is compared across different assumed deuterium recycling coefficients, known to reduce with lithium injection. Upstream lithium density is found to vary by a factor of 2.4 across a feasible range of recycling coefficients at similar $n$$^{OMP,sep}_{e}$.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1981

Chemical and morphological characteristics of lithium electrode surfaces

Lithium electrode surfaces were analyzed for chemical and morphological characteristics, using electron spectroscopy chemical analysis (ESCA) and scanning electron microscopy (SEM). Samples included lithium metal and lithium electrodes which were cycled in a 1.5 M lithium arsenic hexafluoride/two-methyl tetrahydrofuran electrolyte. Results show that the surface of the as-received lithium metal was already covered by a film composed of LiO2 and an Li2O/CO2 adduct with a thickness of approximately 100-200 A. No evidence of Ni3 was found. Upon exposure of the lithium electrode to a 1.5 M LiAsF6/2-Me-THF electrochemical environment, a second film was observed to form on the surface, consisting primarily of As, Si, and F, possibly in the form of lithium arsenic oxyfluorides or lithium fluorosilicates. It is suggested that the film formation may be attributed to salt degradation.

Yen, S. P. S.↗
NASA NTRS1991

Lithium in the most extreme halo stars - Trends with metallicity

A grid of extremely metal-poor stellar evolutionary tracks (Z = 0.00001) is constructed to compare the predicted lithium abundance depletion to observations of the lithium abundance in correspondingly metal-poor stars (Fe/H = -3.3), and, combined with an earlier work to investigate trends of lithium isochrones with metal abundance. Lithium abundances in the most extreme halo stars hint at the possibility of small downward slope toward lower T(eff) in the flat Li-T(eff) relation (the Spite lithium plateau) observed in slightly less extreme stars; the models also predict this. In the cool star region of the Li-T(eff) plane, higher metallicity lithium isochromes are cooler at fixed lithium abundance, consistent with the observations. Current data thus agree well with the lithium trends from standard model.

Deliyannis, Constantine P.↗
NASA NTRS2011

Thermal Properties of Microstrain Gauges Used for Protection of Lithium-Ion Cells of Different Designs

The purpose of this innovation is to use microstrain gauges to monitor minute changes in temperature along with material properties of the metal cans and pouches used in the construction of lithium-ion cells. The sensitivity of the microstrain gauges to extremely small changes in temperatures internal to the cells makes them a valuable asset in controlling the hazards in lithium-ion cells. The test program on lithium-ion cells included various cell configurations, including the pouch type configurations. The thermal properties of microstrain gauges have been found to contribute significantly as safety monitors in lithium-ion cells that are designed even with hard metal cases. Although the metal cans do not undergo changes in material property, even under worst-case unsafe conditions, the small changes in thermal properties observed during charge and discharge of the cell provide an observable change in resistance of the strain gauge. Under abusive or unsafe conditions, the change in the resistance is large. This large change is observed as a significant change in slope, and this can be used to prevent cells from going into a thermal runaway condition. For flexible metal cans or pouch-type lithium-ion cells, combinations of changes in material properties along with thermal changes can be used as an indication for the initiation of an unsafe condition. Lithium-ion cells have a very high energy density, no memory effect, and almost 100-percent efficiency of charge and discharge. However, due to the presence of a flammable electrolyte, along with the very high energy density and the capability of releasing oxygen from the cathode, these cells can go into a hazardous condition of venting, fire, and thermal runaway. Commercial lithium-ion cells have current and voltage monitoring devices that are used to control the charge and discharge of the batteries. Some lithium-ion cells have internal protective devices, but when used in multi-cell configurations, these protective devices either do not protect or are themselves a hazard to the cell due to their limitations. These devices do not help in cases where the cells develop high impedance that suddenly causes them to go into a thermal runaway condition. Temperature monitoring typically helps with tracking the performance of a battery. But normal thermistors or thermal sensors do not provide the accuracy needed for this and cannot track a change in internal cell temperatures until it is too late to stop a thermal runaway.

Jeevarajan, Judith↗
DOE OSTI2025

Battery‐Grade Lithium Materials: Virgin Production and Recycling, a Techno‐Economic Comparison

Lithium has been identified as an essential mineral to the economic and national security of the United States. It is vital for rechargeable batteries that surround us daily from the personal electronics to large-scale energy storage. With a comprehensive techno-economic analysis, the cost of battery-grade lithium compounds production, i.e., lithium carbonate (LC) is evaluated and lithium hydroxide monohydrate (LHM), from both virgin (spodumene ore and brine) and recycled feedstocks (spent lithium-ion batteries). The goal of this study is to inform about the economics of lithium compounds production with comprehensive insights into differences in manufacturing routes and pave a pathway to explore more innovative, domestic manufacturing processes in future for their cost competitiveness and environmental impact. The study includes details on mining and extraction operations as well as unit level operation in the refining process. Moreover, process level information has been collected for pyrometallurgical and hydrometallurgical battery recycling routes. This analysis shows that brine and direct lithium extraction are the cheapest pathways to produce LC or LHM (between $\$3.39$ and 6.20 kg −1 ). The cost of production in the ore and recycling routes can range between $\$4.17$ and $\$53.41$ kg −1 and is highly depending on capital equipment investment, plant location, and the price of spodumene concentrate SC6.0.

battery recycling↗
DOE OSTI2025

Revisiting the Impact of Anion Selection on Sulfur Redox Reaction Kinetics for High Sulfur Loading Lithium–Sulfur Batteries

Lithium bis(trifluoromethane)sulfonimide (LiTFSI) is widely used in lithium–sulfur (Li–S) battery electrolytes due to its stability with lithium polysulfides (LiPSs) and moderate compatibility with lithium metal anodes. However, LiTFSI presents environmental concerns due to its association with per- and polyfluoroalkyl substances (PFAS), which are environmentally persistent and potentially toxic, raises sustainability concerns. This research also reveals that LiTFSI limits sulfur redox reactions (SRRs), making it less effective than other lithium salts. Additionally, some salts previously considered incompatible with Li-S systems due to their reactivity with LiPSs are demonstrated to perform effectively. For the first time, a protective, porous cathode electrolyte interphase (CEI) formed in situ through reactions between salt anions and LiPS is reported. The cells delivered a high specific capacity of 1230.8 mAh g −1 at 0.05 C with a sulfur loading of ≈6 mg cm −2 , limited lithium anode, maintaining a capacity retention of 76.2% after 100 cycles at 0.1 C. Under harsh conditions, such as high sulfur loading, lean electrolyte conditions (3 µL mg −1 ), and in anode-free cells, the cells continued to deliver outstanding capacity. This work provides valuable guidelines for understanding and selecting lithium salts to advance electrolyte design for Li–S batteries.

high loading batteries↗
DOE OSTI2026

Impact of Anode to Cathode Crossover in Lithium‐metal Batteries With High‐Nickel Cathodes

The advancement of high-energy-density lithium-metal batteries (LMBs) is hindered by the chemical instability of both lithium-metal anode and high-nickel layered oxide cathodes. While cathode-to-anode crossover is well-documented, the reverse process of anode-to-cathode crossover remains underexplored. Here, we systematically investigate such crossovers and the degradation pathway in pouch cells with a localized high-concentration electrolyte, comparing NMC622, NMC811, and NMC90 cathodes paired with lithium-metal and graphite anodes. Despite delivering higher initial capacities, LMBs exhibit faster capacity fade under long-term cycling at 45 °C. To isolate cathode-side degradation, galvanostatic electrochemical impedance spectroscopy (GEIS) measurements of cycled cathodes paired with delithiated lithium iron phosphate (LFP) counter electrodes reveal significantly higher charge-transfer resistance in cathodes cycled with lithium-metal. Surface characterization via X-ray photoelectron spectroscopy (XPS) and time-of-flight secondary ion mass spectrometry (ToF-SIMS) reveals greater electrolyte decomposition on cathodes cycled with lithium metal, leading to thicker, more organic-rich cathode–electrolyte interphases (CEIs), consistent with the elevated charge-transfer resistance observed in GEIS measurements. Notably, NMC90 shows the most pronounced CEI thickening, linking higher cathode surface reactivity to greater susceptibility to anode-to-cathode crossover. This work presents compelling evidence of crosstalk degradation originating from lithium-metal anodes and underscores the importance of cross-interface stability for the design of durable LMBs.

25 ENERGY STORAGE↗
DOE OSTI2026

Critical review of lithium recovery from geothermal brines with implications for Smackover Formation, USA

The rapidly growing demand for lithium, a critical element for energy storage and national security technologies, has intensified concerns over the long-term availability and environmental impact of conventional lithium sources, such as hard-rock mining. To meet future demand, it is vital to explore unconventional resources that can provide sustainable domestic supplies. Geothermal brines, produced as a byproduct of geothermal energy generation, offer a promising alternative for lithium recovery by leveraging existing infrastructure and renewable energy production. In particular, the Smackover Formation, an extensive reservoir of high-salinity brines spanning Arkansas, Texas, Louisiana, Mississippi, and Alabama in the U.S. Gulf Coast, holds significant untapped lithium reserves. Co-producing geothermal energy and lithium from these brines aligns with sustainable extraction objectives while addressing resource scarcity. This review synthesizes current knowledge of lithium occurrence in the Smackover Formation and geothermal resources in the region, while also exploring how emerging tools such as machine learning can enhance resource targeting and co-production efficiency. Finally, we discuss key technical challenges and outline future research directions needed to advance lithium extraction from geothermal brines and secure a resilient domestic supply chain.

15 GEOTHERMAL ENERGY↗
DOE OSTI2025

Unveiling the thermite-driven lithium fire ignition in solid-state batteries

Here, this study challenges the assumption of the non-flammability of lithium metal all-solid-state batteries (LiSSBs) and other lithium metal batteries without flammable electrolytes. Through thermodynamic calculations and ex situ experiments, we reveal for the first time the risk of thermite reactions between lithium metal and LiFePO 4 in both charged and discharged states. Reactivity is worsened by excess lithium metal in the cell, reaching final maximum adiabatic temperatures of 2,500°C in the charged state, which is hot enough to boil lithium. The thermite reaction triggers spontaneously at 500°C, with poor surface contact, while increasing surface contact through mixing initiates the reaction at room temperature in an inert environment. Despite its fast kinetics, this reaction is transport limited due to lithium passivation, leading to long burn times and reignition risks. Given the risk of lithium metal contacting the cathode during failure, understanding these reactions is crucial for ensuring the safe deployment of LiSSBs.

LiFePO4↗
DOE OSTI2024

Round-robin analysis of highly depleted lithium for Generation IV nuclear reactor applications

Lithium reference materials containing unnaturally high abundances of 7 Li are not currently available, which poses quality control problems for highly depleted lithium materials (i.e., depleted in 6 Li) required for Generation IV nuclear reactors. This study presents an interlaboratory comparison of a lithium carbonate (NIST SRM924a) containing nominally natural isotopic abundances (~92.4 % Li-7) and a highly depleted lithium hydroxide material (~99.95 % Li-7). The natural lithium isotope abundances of NIST SRM924a are confirmed, and the 6 Li/ 7 Li ratio of the lithium hydroxide ranged from 0.000399 to 0.000436 with an average of 0.000428 ± 0.000023 (2SD, n = 9). Finally, going forward this material can be used as quality control for analytical work involving highly depleted lithium.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Probing the Surface Chemistry of Lithium Nitridation

Chemical synthesis of Li 3 N through lithium nitridation has potential to advance rechargeable battery and nitrogen fixation technology. However, studies of the conditions for forming Li 3 N on the lithium surface via nitrogen gas exposure report contradictory findings, such as the spontaneous reaction of Li with pure N 2 , the impossibility of forming Li 3 N through pure Li and N 2 interaction, the requirement of trace H 2 O to catalyze the reaction, and evidence to the contrary. In this study, ambient pressure X-ray photoelectron spectroscopy (APXPS) was applied to evaluate the in situ chemical evolution of the lithium metal surface under nitrogen gas up to 800 mTorr. At pressures ≤10 mTorr, no Li 3 N was detected. At higher pressures, surface Li 3 N rapidly reacts with trace CO 2 . Additionally, because metallic lithium is readily oxidized by trace gases, the atomic nitrogen concentration of the lithium surface remains below 2%. When nitridation follows oxidation by O 2 gas, CO 2 gas, or H 2 O vapor, surface Li 3 N formation is inhibited. These results suggest that nitrogen gas can diffuse through the oxidized lithium metal surface to react with subsurface metallic lithium.

Binding energy↗
DOE OSTI2024

Deep Eutectic Solvents as Candidates for Lithium Isotope Enrichment

Nuclear fusion is a phenomenon that is well known within the nuclear physics community as a viable option for alternative energy as many natural gases and fossil fuels are phased out of commercial use. Deuterium and tritium fusion reactions are currently the leading candidates for nuclear fusion, with a major limiting factor being a means to produce tritium on an industrial scale. Lithium-6 is a well-known isotope that can produce tritium and helium following a fission reaction with a neutron. Unfortunately, the lithium-6 enrichment methods are limited to the COLEX process, which leaves behind an alarming amount of mercury waste as a potential environmental contaminant. Deep eutectic solvents are believed to be a potential alternative to lithium isotope separations due to the ease of generation, in addition to the minimum environmental waste generated when these solvents are employed. Previous studies have suggested that deep eutectic solvents are capable of separating lithium isotopes by utilizing a 2-thenoyltrifluoroacetone and trioctylphosphine oxide system that can biphasically react with a buffered solution containing lithium chloride. This system displays a separation factor of 1.068, which when compared to the 1.054 separation within the COLEX process, makes it a potential candidate for lithium-6/7 separation. Within this study, we investigate this system in comparison to two newly synthesized deep eutectic solvents and find that within these acetylacetone-based systems, little isotopic separation is observed. We investigate these systems both experimentally and computationally, showing the different lithium cation affinities, in addition to proposing how the electron-donating or -withdrawing nature can influence these systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Deconvoluting the impact of current collector structure and electrolyte selection on Coulombic efficiency of lithium metal anodes

Lithium metal batteries are regarded as a promising avenue for significantly boosting the gravimetric energy density of batteries, particularly for electric vehicles. However, the instability of the lithium metal anode continues to hinder performance. While 3D structured current collectors for lithium metal anodes have been frequently proposed as a solution, few studies explore the impact of these structures when combined with various electrolytes and the inclusion of a lithium reservoir within the structure. This study pairs four commercially available copper current collectors with four different electrolytes to assess how these factors influence cycling performance with a 4 mAh/cm2 lithium reservoir. Coulombic efficiency (CE) measurements revealed no statistically significant difference in CE across different current collectors within the same electrolyte. However, significant variations were noted when the current collector remained intact, and the electrolyte was changed. Although polarization, electrochemical impedance, and lithium morphology varied between structures and electrolytes, no consistent patterns emerged to suggest superior performance by any specific current collector structure. Therefore, the choice of structure appears inconsequential when a lithium reservoir is present, and efforts should focus on selecting and designing the electrolyte.

White, Julia↗
DOE OSTI2026

Electrochemo-mechanics unlocks hidden dynamics of lithium plating under stacking pressure

Understanding and mitigating lithium plating remains one of the most pressing challenges in advancing the safety and longevity of lithium-ion batteries (LIBs). Here, we present a novel integrative framework that combines in-operando swelling force measurements with a physics-based electro-chemo-mechanical model to uncover previously inaccessible insights into lithium plating dynamics under mechanical constraints. Unlike existing approaches that focus primarily on electrochemical signatures, our approach captures the coupled mechanical responses of commercial pouch cells during cycling, revealing how mechanical constraints fundamentally alter degradation pathways. We demonstrate that the use of a moderate stacking pressure suppresses lithium plating and enhances lithium stripping. This mechanically driven structural effect, coupled with the electrochemical process, significantly extends the linear aging regime in LIBs. Intriguingly, intermittent capacity recovery events that were observed during the battery cycling suggest dynamic lithium reactivation, a phenomenon rarely captured in real-time. This study pioneers a stress-aware methodology for diagnosing and managing lithium plating, establishing a new paradigm for real-time battery health monitoring. The findings offer transformative implications for the design of durable, high-performance LIB systems, opening new avenues for intelligent control strategies in battery management systems.

Bhowmick, Amit↗
DOE OSTI2025

Resistive Switching of Spinel Li 4 Ti 5 O 12 Lithium-Ion Battery Material for Neuromorphic Computing

The rapid rise of AI has exposed significant limitations in conventional Von Neumann computing architecture, particularly in regard to speed and energy efficiency. To address these challenges, researchers are exploring a brain-inspired neuromorphic architecture that mimics biological neural networks, enabling massive parallel processing with reduced power consumption for complex AI computational demands. Recent interest has focused on utilizing battery electrodes and solid electrolyte materials for their resistive switching properties in developing a neuromorphic architecture. These properties are precisely tuned through local- and bulk-level chemical composition modifications via voltage bias stimuli. In this study, we demonstrate fabricating a three-terminal lithium-ion electrochemical transistor based on lithium titanium oxide (Li 4 Ti 5 O 12 ), a popular lithium-ion battery anode material. We deposited and characterized LTO thin films using RF sputtering, demonstrating a 6 orders of magnitude increase in electronic conductivity upon lithiation, with conductivity plateauing after 20% lithiation. Density functional theory calculations revealed transformation from the insulating to conducting state, supported by experimental characterization through X-Ray Photoelectron Spectroscopy (XPS) and Direct Current (DC) polarization analyses. The fabricated transistor consisted of LTO as the channel layer, gold as source/drain terminals, lithium phosphorus oxynitride (LiPON) as the lithium-ion conductor, and copper as the gate terminal. The device exhibited clear hysteresis in transfer characteristics due to lithium insertion/extraction processes. Long-term potentiation (LTP) and long-term depression (LTD) measurements showed an asymmetric ratio of 1.425 and maximum/minimum conductance ratio of 7.83. When implemented in a deep neural network (DNN) for MNIST handwritten digit recognition, the device achieved 92.03% accuracy over 20 training epochs. Detailed transport mechanism analysis revealed the crucial role of oxygen vacancies and interface effects in device operation. Our preliminary findings establish LTO-based lithium-ion electrochemical transistors as promising candidates for energy-efficient neuromorphic computing applications, offering potential solutions to traditional Von Neumann architecture limitations.

25 ENERGY STORAGE↗
DOE OSTI2025

Overcoming misconceptions in lithium metal polymer electrolyte batteries

Uncovering the truth of lithium polymer batteries. Lithium metal is the holy grail of anodes due to its 10-fold higher gravimetric capacity than graphite. All-solid-state lithium polymer electrolyte batteries are receiving significant attention due to their increased flexibility compared to inorganic solid-state electrolytes, which enhances processability, accommodates cell swelling, and enables more homogeneous interphases. However, prototype solid-state lithium polymer electrolyte batteries have been limited in their usage due to the low ionic conductivity of the electrolyte, which limits their ability to cycle lithium metal at high rates. In this opinion, we provide alternative interpretations of high-rate capability lithium metal polymer electrolytes and breakthroughs in highly ionically conductive all-solid-state polymer electrolytes. In addition, we provide guidance on how to characterize and evaluate polymer electrolytes in lithium metal batteries.

Waugh, John B↗