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DOE OSTI2022

Development of Laser-Induced Breakdown Spectroscopy for the Californium-252 Supply Program

Calibration-free–laser-induced breakdown spectroscopy (CF-LIBS) is suggested as an alternative to traditional LIBS because it does not rely on calibration curves and instead relies on previously reported parameters called transition probabilities. Transition probabilities are fundamental parameters that describe the probability a specific transition from an upper energy to a lower energy will occur. These values act as internal calibrations and allow concentrations to be calculated based on the plasma temperature and electron density, which can be determined from Saha-Boltzmann methods. CF-LIBS provides the ability to perform elemental concentration estimations on samples without the need for chemical dilutions and only nanograms of material are ablated into the plasma. These benefits can be applied remotely inside hot cells, glove boxes, and radiation hoods through optical fibers. This report summarizes recent efforts to develop CF-LIBS methods for future applications within Oak Ridge National Laboratory’s radioisotope production portfolio, such as the Cf-252 Supply Program. Summaries are provided for the developed Python scripts for data analysis and two studies employing these programs to determine unreported transition probabilities of relevant lanthanides. Additionally, a review of fiber-delivered LIBS and a discussion of a LIBS fiber probe design are provided.

07 ISOTOPE AND RADIATION SOURCES↗

NASA NTRS2004

Lunar and Planetary Science XXXV: Missions and Instruments: Hopes and Hope Fulfilled

The titles in this section include: 1) Mars Global Surveyor Mars Orbiter Camera in the Extended Mission: The MOC Toolkit; 2) Mars Odyssey THEMIS-VIS Calibration; 3) Early Science Operations and Results from the ESA Mars Express Mission: Focus on Imaging and Spectral Mapping; 4) The Mars Express/NASA Project at JPL; 5) Beagle 2: Mission to Mars - Current Status; 6) The Beagle 2 Microscope; 7) Mars Environmental Chamber for Dynamic Dust Deposition and Statics Analysis; 8) Locating Targets for CRISM Based on Surface Morphology and Interpretation of THEMIS Data; 9) The Phoenix Mission to Mars; 10) First Studies of Possible Landing Sites for the Phoenix Mars Scout Mission Using the BMST; 11) The 2009 Mars Telecommunications Orbiter; 12) The Aurora Exploration Program - The ExoMars Mission; 13) Electron-induced Luminescence and X-Ray Spectrometer (ELXS) System Development; 14) Remote-Raman and Micro-Raman Studies of Solid CO2, CH4, Gas Hydrates and Ice; 15) The Compact Microimaging Spectrometer (CMIS): A New Tool for In-Situ Planetary Science; 16) Preliminary Results of a New Type of Surface Property Measurement Ideal for a Future Mars Rover Mission; 17) Electrodynamic Dust Shield for Solar Panels on Mars; 18) Sensor Web for Spatio-Temporal Monitoring of a Hydrological Environment; 19) Field Testing of an In-Situ Neutron Spectrometer for Planetary Exploration: First Results; 20) A Miniature Solid-State Spectrometer for Space Applications - Field Tests; 21) Application of Laser Induced Breakdown Spectroscopy (LIBS) to Mars Polar Exploration: LIBS Analysis of Water Ice and Water Ice/Soil Mixtures; 22) LIBS Analysis of Geological Samples at Low Pressures: Application to Mars, the Moon, and Asteroids; 23) In-Situ 1-D and 2-D Mapping of Soil Core and Rock Samples Using the LIBS Long Spark; 24) Rocks Analysis at Stand Off Distance by LIBS in Martian Conditions; 25) Evaluation of a Compact Spectrograph/Detection System for a LIBS Instrument for In-Situ and Stand-Off Detection; 26) Analysis of Organic Compounds in Mars Analog Samples; 27) Report of the Organic Contamination Science Steering Group; 28) The Water-Wheel IR (WIR) - A Contact Survey Experiment for Water and Carbonates on Mars; 29) Mid-IR Fiber Optic Probe for In Situ Water Detection and Characterization; 30) Effects of Subsurface Sampling & Processing on Martian Simulant Containing Varying Quantities of Water; 31) The Subsurface Ice Probe (SIPR): A Low-Power Thermal Probe for the Martian Polar Layered Deposits; 32) Deploying Ground Penetrating Radar in Planetary Analog Sites to Evaluate Potential Instrument Capabilities on Future Mars Missions; 33) Evaluation of Rock Powdering Methods to Obtain Fine-grained Samples for CHEMIN, a Combined XRD/XRF Instrument; 34) Novel Sample-handling Approach for XRD Analysis with Minimal Sample Preparation; 35) A New Celestial Navigation Method for Mars Landers; 36) Mars Mineral Spectroscopy Web Site: A Resource for Remote Planetary Spectroscopy.

Source record↗

DOE OSTI2022

Regulatory and Policy Considerations for the Reuse and End-of-Life Management of Solar and Batteries in the U.S.

The demand for solar photovoltaics (PV) and lithium-ion batteries (LIB) is expected to continue in the U.S. as the call for solar is projected to quadruple by 2030 to meet renewable energy and decarbonization goals. The expected demand for PV and LIB brings supply chain concerns and a growing need for a circular economy for PV and LIB materials. Domestic reuse and recycling is one potential circular economy solution for PV and LIB. This presentation explores the current U.S. law and regulatory landscape for the reuse and recycling of PV and LIB materials, and how certain policy frameworks impact reuse and end-of-life management decisions for PV and LIB materials.

batteries↗

DOE OSTI2021

An initial exploration of Bayesian model calibration for estimating the composition of rocks and soils on Mars

The Mars Curiosity rover carries an instrument, ChemCam, designed to measure the composition of surface rocks and soil using laser-induced breakdown spectroscopy (LIBS). The measured spectra from this instrument must be analyzed to identify the component elements in the target sample, as well as their relative proportions. This process, which we call disaggregation, is complicated by so-called matrix effects, which describe nonlinear changes in the relative heights of emission lines as an unknown function of composition due to atomic interactions within the LIBS plasma. In this work, we explore the use of the plasma physics code ATOMIC, developed at Los Alamos National Laboratory, for the disaggregation task. ATOMIC has recently been used to model LIBS spectra and can robustly reproduce matrix effects from first principles. The ability of ATOMIC to predict LIBS spectra presents an exciting opportunity to perform disaggregation in a manner not yet tried in the LIBS community, namely via Bayesian model calibration. However, using it directly to solve our inverse problem is computationally intractable due to the large parameter space and the computation time required to produce a single output. Therefore, we also explore the use of emulators as a fast solution for this analysis. We discuss a proof of concept Gaussian process emulator for disaggregating two-element compounds of sodium and copper. The training and test datasets were simulated with ATOMIC using a Latin hypercube design. After testing the performance of the emulator, we successfully recover the composition of 25 test spectra with Bayesian model calibration.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Analysis of liquid petroleum using a laser-induced breakdown spectroscopy instrument

Here, a prototype analyzer for the direct LIBS analysis of nebulized liquid samples was developed and tested, particularly for the analysis of petroleum, organic solvents and aqueous solutions. The LIBS analyzer requires about 750 µl of liquid sample, 1 liter of N 2 gas, and 10 s of the analysis time to record 100 spectra. The limits of detection in oil and solvent are as low as 0.01–0.04 ppm for Li, Mg, and Cu. They increase for the difficult elements, such as Pb and Hg (7-10 ppm), Cl (250 ppm), and S (~0.7%). The relative standard deviation of measuring 100 ppm vanadium in oil and solvent was 1.5%. The LIBS detection limits and repeatability are better than required by the standard method ASTM D5185 for the analysis of lubricating oils in ICP-OES. Several petroleum samples were analyzed by LIBS and the quantitative results for V, Ni, and Fe compared to the ICP-OES data. Light crude oils can be nebulized and analyzed directly. Medium crude oils require minimal dilution at least 1:1, otherwise errors of determination become large. Presumably, utilization of the internal standard and chemometrics can be useful to correct for the matrix effects. In addition to the trace element analysis, the LIBS prototype demonstrated ability to measure the hydrogen-to-carbon ratio in organic liquid samples. Several unidentified features were observed in the carbon spectrum. Their possible origin is discussed.

02 PETROLEUM↗

DOE OSTI2022

Current Challenges in Efficient Lithium‐Ion Batteries’ Recycling: A Perspective

Abstract Li‐ion battery (LIB) recycling has become an urgent need with rapid prospering of the electric vehicle (EV) industry, which has caused a shortage of material resources and led to an increasing amount of retired batteries. However, the global LIB recycling effort is hampered by various factors such as insufficient logistics, regulation, and technology readiness. Here, the challenges associated with LIB recycling and their possible solutions are summarized. Different aspects such as recycling/upcycling techniques, worldwide government policies, and the economic and environmental impacts are discussed, along with some practical suggestions to overcome these challenges for a promising circular economy for LIB materials. Some potential strategies are proposed to convert such challenges into opportunities to maintain the global expansion of the EV and other LIB‐dependent industries.

25 ENERGY STORAGE↗

DOE OSTI2021

A review of thermal physics and management inside lithium-ion batteries for high energy density and fast charging

Traditionally it has been assumed that battery thermal management systems should be designed to maintain the battery temperature around room temperature. That is not always true as lithium-ion battery (LIB) R&D is pivoting towards the development of high energy density and fast charging batteries. Therefore, it is necessary to have a comprehensive review of thermal considerations for LIBs targeted for high energy density and fast charging, i.e., the optimal thermal condition, thermal physics (heat transport and generation) inside the battery, and thermal management strategies. As the energy density and charge rate increases, the optimal battery temperature can shift to be higher than room temperature. In the first part of the review various sources of heat generation inside LIBs and various approaches to minimizing battery heat generation are summarized. The importance of heat of mixing due to ion diffusion during fast charging is also highlighted. To improve the temperature uniformity and avoid excessive internal temperature rise, heat transfer inside the battery needs to be enhanced, and reducing the thermal contact resistance between the electrodes and separator can significantly increase the effective thermal conductivity of batteries. In the second part of the review various challenges and latest developments related to thermal transport and properties of LIBs are discussed. Finally, a summary of latest advancement on smart control of internal temperature of LIBs is discussed as depending on the ambient temperature and the optimal temperature; the battery heat needs to be retained or dissipated to elevate or avoid temperature rise.

25 ENERGY STORAGE↗

DOE OSTI2023

Liquid electrolytes for low-temperature lithium batteries: main limitations, current advances, and future perspectives

Lithium-ion batteries (LIBs) can now be used in almost all modern electronic devices and electric vehicles. However, as the range of applications increases, the challenges increase as well, especially at very low temperatures. Many individual processes could result in capacity loss of LIBs at low temperatures; however, most of them are associated with the liquid electrolyte inside the battery. In this review, we first discuss the main limitations in developing liquid electrolytes used in low-temperature LIBs, and then we summarize the current advances in low-temperature electrolytes, including lithium salts, solvents, additives, and new strategies. Finally, we present some perspectives on the current state of low-temperature electrolytes for LIBs, outlining the most promising research areas in this field. In conclusion, this review will provide useful insights into the design of cryogenic electrolytes and the path forward to the widespread use of LIBs in cryogenic environments.

25 ENERGY STORAGE↗

DOE OSTI2023

Rational designs to enable 10-min fast charging and long cycle life in lithium-ion batteries

A daunting challenge in the design of lithium ion batteries (LiBs) is enabling 10-min extreme fast charging (XFC) while achieving appreciable charge acceptance and cycle life. This desirable outcome requires both a comprehensive understanding of LiB operation and aging behavior at different length scales and careful optimization. Lithium plating has been a critical bottleneck because, at XFC rates, it consumes cyclable lithium causing distinct aging and safety concerns even in moderate-loading LiBs. Here, we propose combining multiple solutions, including materials-to-electrode design-to-charging protocols, that are intended to overcome limitations in lithium-ion transport in the electrolyte phase, thus enabling 10-min XFC in LiBs. Some implemented strategies include cathode chemistry, optimized carbon binder domain in the cathode, dual layer anode design, improved separator and advanced electrolyte. Further, innovative charging protocols in moderately loading (~3 mAh/cm 2 anode/2.7 mAh/cm 2 cathode) single-layer pouch cells are proposed, together with demonstrated 10-min XFC with higher charge acceptance between 87.3 and 92.1% (or 2–2.1 mAh/cm 2 ) for 600 cycles without lithium plating. This methodical study with well-defined cells shows promise in combining multiple solution strategies to enable 10-min XFC, charting a pathway to achieve XFC in higher-loading energy-optimized LiBs.

25 ENERGY STORAGE↗

DOE OSTI2024

Gaining insight into lithium-ion battery degradation by a calorimetric approach

With the growing demand for lithium-ion batteries (LIBs) in transportation and renewable energy sectors, ensuring reliability and mitigating degradation are crucial challenges for their widespread deployment. Here this study investigates the relationship between thermal characteristics and degradation/reliability by developing an in-situ heat measurement methodology for LIBs operating under grid services. Using adiabatic mode-based calorimetry, we examine the thermal behavior of two commercial cells with different cathode chemistries (Ni-rich layered oxide and olivine) before and after two years of grid service (peak shaving) and demonstrate a strong correlation between thermal characteristics and electrochemical performance and its degradation. By further analyzing the heat sources separation (differentiating between irreversible and reversible heat), we disclose the underlying degradation mechanisms of LIBs. These findings emphasize the critical role of thermal characteristics in determining LIB reliability and deterioration, while the obtained heat data can aid in the development and calibration of LIB state-of-health models for grid applications.

25 ENERGY STORAGE↗

DOE OSTI2022

Electrolytes for high-voltage lithium batteries

Here, in the aim of achieving higher energy density in lithium ion batteries (LIBs), both industry and academia show great interests in developing high-voltage LIBs (>4.3 V). However, increasing the charge cut-off voltage of the commercial LIBs causes severe degradations of both the positive electrode materials and the conventional LiPF 6 -oragnocarbonate electrolytes. Consequently, LIBs using conventional LiPF 6 -organocarbonate electrolytes suffer from a short cycle life when operated at higher charge cut-off voltages. In this review, the aging mechanisms associated with high-voltage LIBs will be analyzed and the countermeasures from the electrolyte design will be discussed.

25 ENERGY STORAGE↗

DOE OSTI2024

Lithium-ion hopping weakens thermal stability of LiPF 6 carbonate electrolytes

Lithium hexafluorophosphate (LiPF 6 )-based carbonate electrolytes are widely used in commercial lithium-ion batteries (LIBs), but their thermal instability limits the cycle life and safety of LIBs at elevated temperatures. Few studies have yielded insight into the initial PF 6 — decomposition reaction that promotes thermal instability of LiPF6-based electrolytes. Here, we find that lithium-ion hopping assisted by the overall reorientational motion of propylene carbonate molecules facilitates PF 6 — decomposition at elevated temperatures in 1 M LiPF 6 /propylene carbonate electrolyte. Further, we demonstrate that urea additives, by preventing lithium-ion hopping, suppress the initial LiPF 6 decomposition reaction and enhance the thermal stability of the electrolyte. LIB cell tests with LiNi 0.6 Mn 0.2 Co 0.2 O 2 ||Li 4 Ti 5 O 12 show improved LIB performance at elevated temperatures with the thermally stabilized electrolyte. This study provides key insights into the design of thermally stable LiPF 6 -based carbonate electrolytes for improving the cycle life, calendar life, and safety of LIBs in elevated-temperature applications.

25 ENERGY STORAGE↗

DOE OSTI2025

Review on Preprocessing Strategies, Deactivation, Thermal Safety, and Future Perspectives in Lithium-Ion Battery Recycling

The rapid growth in the use of lithium-ion batteries (LIBs) in electric vehicles, consumer electronics, and renewable energy storage has made effective end-of-life management essential. Recycling LIBs is critical not only for resource recovery and environmental protection but also for ensuring safety and economic viability. This review focuses on the preprocessing technologies that precede typical recovery processes, including disassembly, sorting, discharging, electrolyte removal, dismantling, thermal treatment, separation, and flotation. These steps play a foundational role in determining the efficiency, safety, and environmental impact of LIB recycling. LIBs pose substantial fire and explosion risks due to residual charge, flammable electrolytes, and reactive materials. The conditions and successive progression of the exothermic reactions which lead to thermal runaway has been discussed. It also explores secure deactivation techniques such as external circuit discharge, saline immersion, and thermomechanical methods, alongside fire prevention strategies including the use of flame retardants, elimination of oxidants, and reduction of heat generation and accumulation. Challenges and future directions are outlined, highlighting the need for standardized designs, automation, and safer, more sustainable recycling infrastructure. Furthermore, this review is distinguished by its focused analysis of preprocessing and deactivation steps, with particular attention to the thermal safety engineering aspects of LIB recycling.

Battery deactivation↗

DOE OSTI2024

Extending Calendar Life of Si-Based Lithium-Ion Batteries by a Localized High Concentration Electrolyte

Silicon (Si) is one of the most promising anode materials for the next generation lithium-ion batteries (LIBs). Although significant progresses have been made on the cycle life of Si-based LIBs, their calendar-life is still far less than those required for electrical vehicle applications. Here, in this work, the fundamental mechanisms behind the limited calendar life of Si-LIBs have been investigated. It is found that the unstable interphase layers formed on electrodes during the formation/cycling of batteries using conventional electrolyte with fluoroethylene carbonate (FEC) additive are responsible for the rapid impedance-increase of Si-LIBs during storage at elevated temperature (55°C). By using an FEC-free localized high concentration electrolyte (lithium bis(fluorosulfonyl)imide:ethyl propionate:ethylene carbonate:1,1,2,2-tetrafluoroethyl-2,2,3,3-tetrafluoropropyl ether (1:2.8:0.2:1 by mol.) with 1 wt.% lithium difluorophosphate), stable interphase layers formed on electrodes can effectively block the crosstalk between cathode and anode, minimize the impedance increase of Si||LiNi 0.6 Mn 0.2 Co 0.2 (NMC622) batteries during storage at elevated temperature (55°C), therefore largely improve their calendar life. Si||NMC622 batteries using this electrolyte also demonstrated a high-capacity retention of ~92.4% after 500 cycles at 45°C with well-preserved electrode structure. Hence, this novel electrolyte is a good candidate to extend the cycling life and calendar life of Si-LIBs.

25 ENERGY STORAGE↗

DOE OSTI2025

Elucidating Gas Reduction Effects of Organosilicon Additives in Lithium-Ion Batteries

Lithium-ion batteries (LIBs) with nonaqueous liquid electrolytes are prone to gas generation at elevated voltages and temperatures, degrading battery performance and posing serious safety risks. Organosilicon (OS) additives are an emerging candidate solution for gassing problems in LIBs, but a detailed understanding of their functional mechanisms remains elusive. In this work, we present a combined computational and experimental study to elucidate the gasreducing effects of OS additives. Cell volume measurements and gas chromatography–mass spectrometry reveal that OS additives can substantially reduce gas evolution in LIBs, particularly CO 2 regardless of source. Through density functional theory calculations, we identify multiple plausible pathways for CO 2 evolution, including (1) nucleophile-induced ring-opening of ethylene carbonate (EC) and the subsequent electro-oxidation and (2) direct electro-oxidation of lithium carbonate (Li 2 CO 3 ). Correspondingly, we find that OS additives function via two primary mechanisms: (1) scavenging of nucleophiles such as superoxide (O 2 •– ), peroxide (O 2 2– ), and carbonate ion (CO 3 2– ); (2) oligomerization with ethylene carbonate oxide ion and ethylene dicarbonate ion. Moreover, we discover that OS additives possess strong lithium coordination affinity, which helps further reduce the nucleophilic reaction energies and hence increases their nucleophile-scavenging efficiency. Finally, we provide a mechanistic interpretation for the enhanced gasreduction effects observed with fluorinated OS compounds, corroborated by surface analysis results from X-ray photoelectron spectroscopy. Our study offers the first molecular-level insights into how OS additives contribute to reduced gas formation in LIBs, paving the way for improved safety and performance of LIBs.

25 ENERGY STORAGE↗

DOE OSTI2023

Basics of the scanning electrochemical microscope and its application in the characterization of lithium-ion batteries: a brief review

A scanning electrochemical microscope (SECM) can directly monitor electrochemical processes at interfaces of electrodes and electrolytes and has been used as an analytical tool for lithium-ion battery (LIB) studies. Through SECM, we can visualize the electrochemical reactivities of active species in LIBs in-situ during cycling. This review begins with introducing SECM-based LIB research and then summarizes the working mechanism and operating modes of the technique as well as combinations of SECM with other techniques for LIB studies. We review the results with a focus on the interfacial properties, surface reactions and electrochemical activity of different electrode materials for LIBs. The investigations of battery degradation, kinetic parameters and electrolyte swelling by SECM are also discussed. Finally, the current limitations and perspectives are also described regarding future developments.

25 ENERGY STORAGE↗

DOE OSTI2026

Elemental analysis of air-sensitive frozen molten salt samples using an inert transfer chamber for LIBS/LA-ICP-TOF-MS analysis

A novel inert sample transfer system was developed and employed to enable, for the first time, the analysis of air-sensitive salt samples in a two-volume ablation cell using simultaneous laser-induced breakdown spectroscopy (LIBS) and laser ablation (LA)-inductively coupled plasma (ICP)-time-of-flight (TOF)-mass spectrometry (MS) analysis. Molten salts are of growing interest as a medium for advanced nuclear reactors and nuclear fuel reprocessing technologies continue to be developed around their use. However, compositional analysis of molten salt samples can be challenging because of their air-sensitive nature and varying solubilities leading to inaccurate measurements when digested. LA-based analysis provides an alternate method to digestion and can provide rapid elemental information with little sample preparation. In this study, LIBS and LA-ICP-TOF-MS were used to analyze the Ce content in frozen salt samples taken from a series of electrochemical experiments. Calibrations were built for each technique, and the resulting limits of detection for Ce were estimated to be 107 and 58 µg g −1 for LIBS and LA-ICP-TOF-MS, respectively. Test samples from the electrochemical experiments were analyzed using these calibrations. The results matched bulk digestion-based ICP-optical emission spectroscopy values, and daily trends in Ce concentration changes were identified. Additionally, the LIBS and LA-ICP-TOF-MS analysis was demonstrated for identifying microgram per gram levels of components and detecting trace contaminants. The impurities detected by LIBS included Al, Mg, Ca, and Na. The impurities detected by LA-ICP-TOF-MS included W, Ag, Al, Fe, Ni, Mo, Nd, Sm, Th, and U.

Andrews, Hunter B. [Oak Ridge National Laboratory ↗

DOE OSTI2023

Roadmap for a sustainable circular economy in lithium-ion and future battery technologies

Abstract The market dynamics, and their impact on a future circular economy for lithium-ion batteries (LIB), are presented in this roadmap, with safety as an integral consideration throughout the life cycle. At the point of end-of-life (EOL), there is a range of potential options—remanufacturing, reuse and recycling. Diagnostics play a significant role in evaluating the state-of-health and condition of batteries, and improvements to diagnostic techniques are evaluated. At present, manual disassembly dominates EOL disposal, however, given the volumes of future batteries that are to be anticipated, automated approaches to the dismantling of EOL battery packs will be key. The first stage in recycling after the removal of the cells is the initial cell-breaking or opening step. Approaches to this are reviewed, contrasting shredding and cell disassembly as two alternative approaches. Design for recycling is one approach that could assist in easier disassembly of cells, and new approaches to cell design that could enable the circular economy of LIBs are reviewed. After disassembly, subsequent separation of the black mass is performed before further concentration of components. There are a plethora of alternative approaches for recovering materials; this roadmap sets out the future directions for a range of approaches including pyrometallurgy, hydrometallurgy, short-loop, direct, and the biological recovery of LIB materials. Furthermore, anode, lithium, electrolyte, binder and plastics recovery are considered in order to maximise the proportion of materials recovered, minimise waste and point the way towards zero-waste recycling. The life-cycle implications of a circular economy are discussed considering the overall system of LIB recycling, and also directly investigating the different recycling methods. The legal and regulatory perspectives are also considered. Finally, with a view to the future, approaches for next-generation battery chemistries and recycling are evaluated, identifying gaps for research. This review takes the form of a series of short reviews, with each section written independently by a diverse international authorship of experts on the topic. Collectively, these reviews form a comprehensive picture of the current state of the art in LIB recycling, and how these technologies are expected to develop in the future.

25 ENERGY STORAGE↗