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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Comparative Study of Vinylene Carbonate and Lithium Difluoro(oxalate)borate Additives in a SiO x /Graphite Anode Lithium-Ion Battery in the Presence of Fluoroethylene Carbonate

The SiO x /graphite composite is recognized as a promising anode material for lithium-ion batteries (LIBs), owing to the high theoretical capacity of SiO x combined with the excellent stability of graphite. However, the inherent disadvantage of volume expansion in silicon-based anodes places significant challenges on the solid electrolyte interphase (SEI) and severely degrades the electrochemical performance. Rational formulation of electrolyte, including its additives, is crucial in accommodating and optimizing the composition of the SEI and enhancing the cell performance. In this work, we present a comparative study of vinylene carbonate (VC) and lithium difluoro(oxalate)borate (LiDFOB) additives combined with fluoroethylene carbonate (FEC) in the electrolyte for SiO x /graphite∥LiNi 1–x–y–z Co x Mn y Al z O 2 full cells. VC outperformed LiDFOB as an additive, delivering higher capacity cycling, higher Coulombic efficiency, and better cycle stability up to 400 cycles. XPS and impedance analyses reveal that LiDFOB contributed to SEI/CEI with both a lower proportion of LiF and a higher proportion of poly(VC), which tended to produce higher cell impedance. XRD and XANES further indicated that using the LiDFOB additive, the NCMA cycled to a shallower degree than that of the VC additive. Although the VC additive maintained a higher capacity up to 400 cycles, microstrain and SEM analyses show a higher strained NCMA along with clear evidence of cracking over the surface of the NCMA particle in VC-based electrolyte but not in LiDFOB. In conclusion, this suggests that the negative influence of LiDFOB at the anode (inferior SEI) supersedes the negative impact of both a cracked NCMA and a deeper cycled NCMA and SiO x -based anode.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Impact of Lithium‐Free Borate Additives on the Cycle Life and Calendar Aging of Silicon‐Based Lithium‐Ion Batteries

Silicon-anode lithium-ion batteries (LIBs) suffer from limited cycle life and poor calendar life, constraining their large-scale commercialization. Integrating additives into electrolytes is a simple and cost-effective strategy to improve these aspects. The effects of lithium-free boron-based additives on cycling and calendar performance of high-loading Si-anode LIBs remain largely unexplored. In this work, the influence of five Li-free borate additives, each with distinct molecular structures and elemental compositions, is systematically investigated. All additives enhance cycle life to varying extents. Notably, the addition of 1 v/v% tri(2,2,2-trifluoroethyl) borate to the baseline electrolyte nearly doubles the cycle life at 50% state of health. This enhancement is attributed to three key factors. Specifically, borate additives 1) improve electrochemical activity, 2) act as anion receptors that interact with [PF6]- anions and carbonate solvents to reduce electrolyte decomposition, and 3) promote the formation of a stable and polymeric solid electrolyte interphase layer. Furthermore, these additives exhibited negligible impact in mitigating leakage current during a 180 h voltage-hold calendar-aging test, indicating their limited effect in calendar life. These findings provide insight into the role of Li-free borate additives in improving cycle life while addressing the knowledge gap regarding their influence on calendar aging.

Li, Defu↗
DOE OSTI2025

High tensile alloy of copper to mitigate current collector deformation in silicon electrodes for lithium-ion batteries

The volumetric changes of silicon electrodes, along with the strong adhesive properties of certain binders, can lead to plastic deformation of the current collector and create damage in the electrode coating. Here, in this study, we report a detailed study of silicon coatings on a high-tensile alloy (HTA) foil of copper with strength over twice that of conventional copper foils. The HTA current collectors with high mechanical strength can mitigate plastic deformation upon continuous cycling. At moderate areal capacities (2.5–3 mAh cm −2 ), conventional copper foils show significant wrinkling after only a few electrochemical cycles, whereas the HTA foils remain intact. We demonstrate viability of the HTA foils in large format xx6395 pouch cells, in which the HTA current collectors remain intact even at an areal capacity of 4.5 mAh cm −2 ; in contrast, wrinkles form in conventional copper current collectors increasing the likelihood of lithium plating. Computational studies show that stresses generated during cycling of silicon electrodes are very high in the current collector and at the current collector-coating interface, explaining the wrinkling of conventional Cu foils. Our studies highlight importance of current collector to solve the electrochemical and chemo-mechanical performance challenges associated with high-loading silicon electrodes.

Chemo-mechanical degradation↗
DOE OSTI2024

Hyperconjugation-controlled molecular conformation weakens lithium-ion solvation and stabilizes lithium metal anodes

Tuning the solvation structure of lithium ions via electrolyte engineering has proven effective for lithium metal (Li) anodes. Further advancement that bypasses the trial-and-error practice relies on the establishment of molecular design principles. Expanding the scope of our previous work on solvent fluorination, we report here an alternative design principle for non-fluorinated solvents, which potentially have reduced cost, environmental impact, and toxicity. By studying non-fluorinated ethers systematically, we found that the short-chain acetals favor the [gauche, gauche] molecular conformation due to hyperconjugation, which leads to weakened monodentate coordination with Li + . The dimethoxymethane electrolyte showed fast activation to >99% coulombic efficiency (CE) and high ionic conductivity of 8.03 mS cm -1 . The electrolyte performance was demonstrated in anode-free Cu$∥$LFP pouch cells at current densities up to 4 mA cm -2 (70 to 100 cycles) and thin-Li$∥$high-loading-LFP coin cells (200–300 cycles). Overall, we demonstrated and rationalized the improvement in Li metal cyclability by the acetal structure compared to ethylene glycol ethers. We expect further improvement in performance by tuning the acetal structure.

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

A quantitative imaging framework for lithium morphology: Linking deposition uniformity to cycle stability in lithium metal batteries

Characterizing the morphology of lithium (Li) is crucial for developing long-lasting lithium metal batteries. It is well established that more uniform Li deposition correlates with better cell performance. Li morphology is often characterized through qualitative analysis of scanning electron microscopy (SEM) images; however, there are no widely accepted metrics to quantitatively describe deposition uniformity. Here, we propose a framework to quantify uniformity through SEM image analysis via the index of dispersion (ID) metric, which is defined and presented in the context of Li metal batteries. We also explore experimental impacts of sampling protocols onIDmeasurements. Our results demonstrate that theIDmetric is highly sensitive to variations in deposition uniformity, including the coexistence and uniformity of multiple morphologies, uniformity within a single morphology, and particle size distribution uniformity. Furthermore, it is demonstrated that uniformity, as measured by theID, can be related to the average potential of Li||Li symmetric cells over cycling. Higher capacity cycling leads to more pronounced changes in bothIDand average cell potential. Local minima/maxima are found consistently in bothIDand average cell potential immediately before cells short-circuit, which we suggest may indicate a collapse of the microstructure prior to failure. We put forward this framework as a more robust approach to quantify Li deposition uniformity, advancing the development of Li metal batteries that are safer and longer lasting.

Science & Technology - Other Topics↗
DOE OSTI2025

Comparison of Fuel Cycles for Lead-Lithium and Pure Lithium Liquid Metal Walls in a Magnetized Target Fusion Power Plant

General Fusion (GF) is developing an adaptable, commercial fusion power plant based on magnetized target fusion (MTF). The GF approach involves forming a spherical torus of deuterium-tritium plasma in a large (~4 m diameter) cavity formed in liquid metal, and then collapsing that cavity with an array of pneumatic piston drivers. The liquid metal is constantly flowing through the fusion chamber and out to processing systems where tritium and heat will be extracted using tritium extraction technologies and heat exchangers, respectively. Here, this study focuses on two candidate designs for the liquid metal blanket and first wall material for the General Fusion Magnetized Target Fusion (GF MTF) power plant and assesses their impact on the tritium fuel cycle. The first candidate is the lead lithium eutectic (LLE) and the second candidate is pure lithium (Li). It was found that the main differences between LLE and Li designs are the extraction technologies required to remove tritium from the blanket and the amount of tritium and its distribution within the facility. More than 80% of the in-process tritium inventory for the LLE design is contained in the isotope separation system, while for the Li design, over 60% of the in-process tritium inventory is contained within the blanket material. This is due to significant tritium retention by Li. For the Li blanket, the burden of tritium processing rests on the blanket extraction technology rather than the traditional exhaust processing route. Thus, the blanket extraction technology is a main driver of tritium inventory in the Li system and determines the subsequent interface with the tritium processing plant.

General Fusion↗
DOE OSTI2025

Industrializable interlayer with catalytic conversion of dead lithium for Ah–level Nickel–rich lithium metal batteries

The growth of lithium (Li) dendrites and the accumulation of dead Li (i.e., Li metal regions which are electronically disconnected from the current collector) significantly undermine the safety and performance of Li metal batteries. This study employs kilogram-scale atomic layer deposition technology to construct zinc oxide with a preferential (002) crystal orientation, which homogeneously forms on commercial carbon nanotube papers. Our approach emphasizes the importance of achieving a moderate Li adsorption energy and low Li migration energy barriers to suppress Li dendrite growth. In this work, we introduce the concept of "catalytic" effect for dead Li reconversion, as validated through time-of-flight secondary ion mass spectrometry, leading to a Li plating/stripping efficiency of 99.89%. The Ah-level Li metal pouch cells with high-nickel positive electrodes achieve a specific energy of 380 Wh kg -1 (based on the mass of the whole pouch cell) and demonstrate stable cycling under demanding conditions. Analysis of the cycled pouch cells confirms the structural integrity and provides insights into the mechanism of the dead Li "catalytic" conversion.

Shen, Huasen [Jianghan University, Wuhan (China)]↗
DOE OSTI2026

ICL Commercial Production of Lithium Iron Phosphate Cathode Powder for the Global Lithium Battery Industry Final Technical Report

ICL was investing in producing cathode active material, Lithium Iron Phosphate (LFP), used in the production of batteries for both electric vehicles and stationary storage. The demand for LFP was increasing with the global focus on sustainable energy, and there was no current manufacturer of this material in the United States. As such, imported LFP is subject to the uncertainties around supply chain and control of a foreign supplier. This investment would have allowed ICL to be a United States leader in LFP production. To gain a position in this market, ICL licensed the technology from a firm that has the process technology and has reliably supplied LFP into the battery market and currently has customers purchasing their product.

25 ENERGY STORAGE↗
DOE OSTI2025

Process Systems Engineering-Informed Design and Scale-Up of Multi-stage Diafiltration Cascades for Lithium and Cobalt Recovery from Spent Lithium-Ion Batteries

These slides present work jointly completed by Tasks in PrOMMiS. The first half of the presentation motivates the importance of critical materials for national security and how the recovery of critical minerals via membrane separations can be more cost effective than currently used technology. The second half of the presentation presents cost-optimal results for the custom cost model for diafiltration using the superstructure flowsheet developed by CMU. These results highlight how PSE can inform process targets (i.e., product purity targets) and suitable design strategies for scaled-up membrane cascades.

critical materials↗
DOE OSTI2024

Superionic conducting vacancy-rich β-Li 3 N electrolyte for stable cycling of all-solid-state lithium metal batteries

The advancement of all-solid-state lithium metal batteries requires breakthroughs in solid-state electrolytes (SSEs) for the suppression of lithium dendrite growth at high current densities and high capacities (>3 mAh cm -2 ) and innovation of SSEs in terms of crystal structure, ionic conductivity and rigidness. Here we report a superionic conducting, highly lithium-compatible and air-stable vacancy-rich β-Li 3 N SSE. This vacancy-rich β-Li 3 N SSE shows a high ionic conductivity of 2.14 × 10 -3 S cm -1 at 25 °C and surpasses almost all the reported nitride-based SSEs. A Li- and N-vacancy-mediated fast lithium-ion migration mechanism is unravelled regarding vacancy-triggered reduced activation energy and increased mobile lithium-ion population. All-solid-state lithium symmetric cells using vacancy-rich β-Li 3 N achieve breakthroughs in high critical current densities up to 45 mA cm -2 and high capacities up to 7.5 mAh cm -2 , and ultra-stable lithium stripping and plating processes over 2,000 cycles. The high lithium compatibility mechanism of vacancy-rich β-Li 3 N is unveiled as intrinsic stability to lithium metal. In addition, β-Li 3 N possesses excellent air stability through the formation of protection surfaces. All-solid-state lithium metal batteries using the vacancy-rich β-Li 3 N as SSE interlayers and lithium cobalt oxide (LCO) and Ni-rich LiNi 0.83 Co 0.11 Mn 0.06 O 2 (NCM83) cathodes exhibit excellent battery performance. Extremely stable cycling performance is demonstrated with high capacity retentions of 82.05% with 95.2 mAh g -1 over 5,000 cycles at 1.0 C for LCO and 92.5% with 153.6 mAh g -1 over 3,500 cycles at 1.0 C for NCM83. Utilizing the vacancy-rich β-Li 3 N SSE and NCM83 cathodes, the all-solid-state lithium metal batteries successfully accomplished mild rapid charge and discharge rates up to 5.0 C, retaining 60.47% of the capacity. Notably, these batteries exhibited a high areal capacity, registering approximately 5.0 mAh cm -2 for the compact pellet-type cells and around 2.2 mAh cm -2 for the all-solid-state lithium metal pouch cells.

25 ENERGY STORAGE↗
DOE OSTI2024

Water acidification aggravates lithium-induced toxicity represented by energy supply, oxidative stress, and cell fate in Daphnia magna neonates

Lithium is extensively utilized in industrial energy production, particularly in lithium-ion batteries, and in pharmaceuticals for the treating clinical mood disorders. Consequently, lithium is frequently detected in various environmental matrices. It has been reported to cause a range of toxic effects on aquatic organisms including oxidative stress, neurological disorders, and reproductive suppression. Water acidification is a global issue with numerous negative impacts on aquatic organisms. It can alter the physio-chemical properties and bioavailability of metal ions. The acidic leaching process during lithium battery treatment and global water acidification both suggest that lithium contamination often occurs in acidic environments. In the present study, Daphnia magna neonates were exposed to four treatments (control, lithium alone, low pH, and combined) to investigate whether an acidic environment exacerbates the toxic effects of lithium on aquatic organisms and to explore potential toxic action mechanisms. The results indicated that low pH posed a significant threat to the growth and reproduction of D. magna. When exposed to both lithium and low pH, there was increased lithium accumulation and an energy trade-off response, leading to increased energy allocation to reproduction and reduced energy for growth. Lithium exposure stimulated D. magna activity, while low pH inhibited it, suggesting that an imbalance in energy consumption and supply. Combined exposure to lithium and low pH resulted in severe oxidative stress due to mitochondrial dysfunction, under-utilization of energy substances, and increased ionic homeostasis disturbances. Consequently, the exposed organism altered apoptosis and autophagy processes to maintain homeostasis. In conclusion, the present study demonstrated that lithium and water acidification posed a population-level threat to D. magna, and their combined exposure significantly largely exacerbated the toxic effects.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2025

Final Design for Thermal/Epithermal eXperiments (TEX) with Lithium Absorbers to Provide Validation Benchmarks for Y-12 Electrorefining Facility

One of the main goals of the Thermal/Epithermal eXperiments (TEX) project is to use existing Nuclear Criticality Safety Program (NCSP) assets to create critical experiment plutonium and uranium test beds for materials important to criticality safety that have insufficient benchmark evaluations. The plutonium test bed experiments were completed in 2018 and are published in the 2020 edition of the International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook. The uranium test bed assemblies were completed in 2023 and accepted in the 2024 edition of the ICSBEP Handbook. The Nuclear Criticality Safety (NCS) group at Y-12 National Security Complex has identified programmatic need for validation cases for uranium electrorefining operations at Y-12. The electrorefining operation credits lithium enriched in 6 Li in addition to 35 Cl as absorbers in the design criticality safety evaluation for precluding criticality under upset conditions in the large and geometrically unfavorable electro-refiner. There is, however, inadequate experimental validation for the 6 Li absorbers. As an extension of the TEX uranium test bed, TEX-Cl critical experiments were performed with sodium chloride salt to address the 35 Cl thermal absorption as well as other validation needs at Los Alamos National Laboratory (LANL). These experiments were completed in 2024 and accepted into the 2025 ICSBEP Handbook. To continue the methodology used in TEX-Cl, TEX-Li aims to accomplish the same. The overall design of both experiments was to use commercially available, high purity, salts with polyethylene moderator and HEU plates to configure a critical assembly. Three experiments are planned for TEX-Li using encapsulated lithium carbonate (Li 2 CO 3 ), with natural 6 Li abundance. For all experiments, the highly enriched uranium (HEU) Jemima plates will be used as fissile material. Multiple layers will be stacked together with encapsulated Li 2 CO 3 alternated with polyethylene in standard configurations. Standard stacking was found to be optimal in matching the different sensitivity profiles provided by the Y-12 models. Three configurations are proposed with varying polyethylene moderation and a constant 1/4” absorber thickness. The first uses 11 layers of 5/4” polyethylene, the second uses 9 layers of 3/4” polyethylene, and the third uses 10 layers of 1/2” polyethylene. Calculations showed that some alternative forms of lithium-based materials provided slightly less-optimal sensitivity profiles when compared to lithium carbonate but come with other drawbacks. These alternatives included lithium aluminate (LiAlO 2 ), Aluminum-2050 alloy, Aluminum-8090, Aluminum-2095, lithium hydride (LiH), and lithium fluoride (LiF). Lithium aluminate and aluminum-2050 provided comparable sensitivity profiles when compared to lithium carbonate and can be used instead if lithium carbonate cannot be readily procured. After a broad material study, lithium carbonate outperformed any alternative material with a balance in affordability and workability. The assessment of experimental uncertainties of the non-absorber and absorber components was predicted to be 0.00089 and 0.00093 Δk eff , respectively. The largest uncertainties may be reduced with precision dimensional inspection of the components. Many of the parts and equipment for IER 575 have already been fabricated or procured for previous projects and therefore do not contribute significantly to the overall cost of this experiment. This includes the Jemima plates and Comet critical assembly machine, which are existing NCSP assets, as well as the aluminum platen and polyethylene reflector rings, which were fabricated and authorized for the TEX experiment involving HEU with polyethylene. Lithium carbonate containers will be procured by LANL and will be filled by LLNL. The total material costs for TEX-Li experiments are estimated to be on the order of $\$$47,400. Precision inspection, including dimensional, mass, density, and impurity, is recommended for all components for an estimated cost of $\$$12,000.

35Cl↗
DOE OSTI2026

Investigation of Drift Effects in UEDGE Simulations of NSTX-U Edge Plasma With Lithium Divertors

Lithium is a low-Z material, and lithium-based plasma-facing components (PFCs) are planned for the National Spherical Torus Experiment Upgrade (NSTX-U) to explore potential benefits for divertor power exhaust and core plasma management. NSTX-U is a medium-sized spherical tokamak with up to 12 MW of auxiliary heating, capable of generating reactor-relevant plasma conditions. This work presents boundary plasma simulations for NSTX-U with lithium PFCs using the UEDGE code, incorporating full magnetic and 𝐄 ×𝐁 drift physics. The simulations show that drifts strongly influence heat and particle transport: they enhance convective transport, broaden the scrape-off layer heat-flux width 𝜆 𝑞 , and reduce the anomalous heat diffusivity 𝜒 required to reproduce predicted SOL heat-flux width. 𝐄 ×𝐁 drifts provide poloidal transport, while ∇𝐵 (which includes both gradB and curvature) drifts provide radial heat and particle transport. Lithium transport is also affected by drifts, with lithium ions migrating from the outer divertor to the inner divertor through the private flux region (PFR) following the 𝐄 ×𝐁 drifts flow, lowering upstream impurity lithium densities. UEDGE is self-consistently coupled with the Wall-Li model to study plasma lithium PFC interactions depending on the local lithium sourcing based on local plasma conditions and lithium surface temperature. In these simulations, lithium evaporation shows a vapor-shielding effect that reduces divertor heat flux and increases radiative losses once surface temperatures exceed 450°C. This research work provides a first step toward self-consistent modeling of lithium PFCs in NSTX-U, demonstrating the impact of drift-driven plasma transport in SOL and divertor regions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Self-consistent modeling of tokamak edge plasma transport with lithium sources

Magnetic confinement fusion devices require effective heat and particle exhaust solutions on the divertor plates to operate sustainably, especially under reactor-relevant conditions. Liquid lithium divertors have been proposed to address two major challenges: control of excessive heat flux to plasma-facing components through vapor shielding and minimization of core plasma contamination from impurities. The National Spherical Torus Experiment-Upgrade (NSTX-U) will explore lithium as a divertor material due to its potential to meet both objectives. We present a self-consistent coupling framework between the plasma boundary transport code UEDGE and the lithium wall transport code Wall–Li to evaluate the feasibility and operational limits of lithium-based divertors. The model aims to optimize lithium sourcing levels to prevent core plasma contamination via fuel dilution while ensuring divertor protection through vapor shielding. This integrated framework, applicable to any tokamak with lithium sources, dynamically adjusts lithium sourcing based on local plasma conditions and surface temperature. The coupled model is tested using NSTX-like geometry and plasma conditions to assess its performance and reliability. Wall–Li calculates lithium fluxes from plasma-facing components, incorporating physical sputtering, thermally enhanced sputtering, and evaporation driven by surface temperature and ion flux. These fluxes are reintroduced into UEDGE as neutral lithium atoms, enabling simulation of their transport and distribution within the plasma. UEDGE computes plasma and neutral transport, surface heat flux, and iteratively feeds this information back to Wall–Li. A small time step is employed to ensure numerical stability and convergence, enabling accurate simulations over typical tokamak discharge durations. This integrated modeling approach provides a robust tool for identifying operational regimes that balance effective lithium sourcing with minimal core plasma contamination, offering critical insights for optimizing lithium-based divertor systems in current and future fusion devices.

Magnetic confinement fusion↗