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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Impacts of Lanthanum Impurities on Nickel-Rich Cathode Materials

The widespread use of lithium-ion batteries (LIBs) has led to environmental concerns and exacerbated the scarcity of essential minerals, underscoring the urgent need for effective recycling strategies. Among various recycling methods, the hydrometallurgical process is distinguished by its energy efficiency and minimal environmental impact. Nickel-metal hydride (Ni-MH) batteries are a significant source of nickel sulfate (NiSO 4 ) for hydrometallurgical recycling due to their substantial nickel content. A significant challenge arises from the effective separation of lanthanum (La), which results in at least 20 ppm of La being present in the recycled NiSO 4 . This study explores a critical aspect of the recycling process: the impact of La 3+ impurities, introduced through recycled NiSO 4 , on the performance of the synthesized nickel-rich cathode materials. We conducted a thorough investigation into how La 3+ influences morphology and structural integrity during both the synthesis of precursors and the production of cathode materials. Our findings indicate that La 3+ impurities do not adversely affect the morphology or structural integrity of the cathode precursors relative to virgin materials. However, higher concentrations of La 3+ reduce the discharge capacity with enhanced cycle stability by minimizing cation mixing between lithium (Li + ) and nickel (Ni 2+ ) ions within the cathode. Furthermore, this stability is crucial for extending battery life. Therefore, controlling the concentration of La 3+ impurities is essential for optimizing the electrochemical performance of recycled cathode materials.

Corrosion↗
DOE OSTI2021

Characterization of Americium and Curium Complexes with the Protein Lanmodulin: A Potential Macromolecular Mechanism for Actinide Mobility in the Environment

Anthropogenic radionuclides, including long-lived heavy actinides such as americium and curium, represent the primary long-term challenge for management of nuclear waste. The potential release of these wastes into the environment necessitates understanding their interactions with biogeochemical compounds present in nature. Here, we characterize the interactions between the heavy actinides, Am 3+ and Cm 3+ , and the natural lanthanide-binding protein, lanmodulin (LanM). LanM is produced abundantly by methylotrophic bacteria, including Methylorubrum extorquens, that are widespread in the environment. We determine the first stability constant for an Am 3+ -protein complex (Am 3 LanM) and confirm the results with Cm 3 LanM, indicating a ~5-fold higher affinity than that for lanthanides with most similar ionic radius, Nd 3+ and Sm 3+ , and making LanM the strongest known heavy actinide-binding protein. The protein’s high selectivity over 243 Am’s daughter nuclide 239 Np enables lab-scale actinide-actinide separations as well as provides insight into potential protein-driven mobilization for these actinides in the environment. The luminescence properties of the Cm 3+ -LanM complex, and NMR studies of Gd 3+ -LanM, reveal that lanmodulin-bound f-elements possess two coordinated solvent molecules across a range of metal ionic radii. Finally, we show under a wide range of environmentally relevant conditions that lanmodulin effectively outcompetes desferrioxamine B, a hydroxamate siderophore previously proposed to be important in trivalent actinide mobility. Overall, these results suggest that natural lanthanide-binding proteins such as lanmodulin may play important roles in speciation and mobility of actinides in the environment; it also suggests that protein-based biotechnologies may provide a new frontier in actinide remediation, detection, and separations.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2020

Correlation between time and angular alignment in molecular dynamics simulations of heavy ion collisions

Neutron-proton equilibration is a process which has been used to study the density dependence of the symmetry energy term in the nuclear equation-of-state. Here, this study utilizes constrained molecular dynamics (CoMD) simulations of 70 Zn + 70 Zn with collision energies of 35 and 45 MeV/nucleon. An algorithm is used which searches through CoMD events and identifies the PLF* after it separates from the target and determines its lifetime, Δt. It also determines the fragments that the PLF* breaks apart into and determines their angular alignment. This technique gives an opportunity to explore how the average alignment of dynamically produced fragments, $\langle$α $\rangle$ dyn , evolves with PLF* lifetime. An approximately linear relationship was determined with d$\langle$α $\rangle$ dyn /dΔt = 0.98 ± 0.08 rad / zs and 1.06 ± 0.09 rad / zs for the 35 and 45 MeV / nucleon, respectively, indicating a correlation with magnitude consistent with classically determined values which were used for prior experimental studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Toward Improved Charge Separation through Conformational Control in Copper Coordination Complexes

The continued development of solar energy as a renewable resource necessitates the design and study of new approaches to sustaining photodriven charge separation (CS). To this end, we present a bioinspired approach in which triggered conformational changes are used to control electron transfer (ET) events. We report, photo-induced conformational rearrangements of a ligand are translated into changes in the coordination geometry and environment about a bound metal ion. Taking advantage of the differential coordination properties of Cu I and Cu II , these dynamics facilitate intramolecular ET from Cu I to the ligand to create a CS state. The synthesis and photophysical characterization of CuCl(dpaa R ) (dpaa = dipicolylaminoacetophenone, with R = H and OMe) is presented. These ligands incorporate a fluorophore into their framework that gives rise to a twisted intramolecular charge transfer (TICT) excited state. Excited state ligand twisting provides a tetragonal coordination geometry capable of capturing Cu II in the CS state when an internal ortho-OMe binding site is present (as in dpaaOMe). We employ NMR, IR, EPR, and optical spectroscopies, X-ray diffraction, and electrochemical methods to establish the ground state properties of the Cu I and Cu II complexes. We then investigate the photophysical dynamics of these Cu I complexes via time-resolved photoluminescence (TR-PL), and optical transient absorption (OTA) spectroscopies. We show that relative to controls lacking a TICT-active ligand, the lifetime of the CS state is enhanced ~1000-fold. Further, the presence of the ortho-OMe substituent greatly enhances the lifetime of the TICT* state and biases the coordination environment toward Cu II . The presence of Cu I decreases photoinduced degradation from 14 to <2% but does not result in significant quenching via ET. Factors affecting CS in these systems are discussed, laying the groundwork for our strategy toward solar energy conversion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Physics and applications of dusty plasmas: The Perspectives 2023

Dusty plasmas are electrically quasi-neutral media that, along with electrons, ions, neutral gas, radiation, and electric and/or magnetic fields, also contain solid or liquid particles with sizes ranging from a few nanometers to a few micrometers. These media can be found in many natural environments as well as in various laboratory setups and industrial applications. As a separate branch of plasma physics, the field of dusty plasma physics was born in the beginning of 1990s at the intersection of the interests of the communities investigating astrophysical and technological plasmas. An additional boost to the development of the field was given by the discovery of plasma crystals leading to a series of microgravity experiments of which the purpose was to investigate generic phenomena in condensed matter physics using strongly coupled complex (dusty) plasmas as model systems. Finally, the field has gained an increasing amount of attention due to its inevitable connection to the development of novel applications ranging from the synthesis of functional nanoparticles to nuclear fusion and from particle sensing and diagnostics to nano-contamination control. The purpose of the present perspectives paper is to identify promising new developments and research directions for the field. As such, dusty plasmas are considered in their entire variety: from classical low-pressure noble-gas dusty discharges to atmospheric pressure plasmas with aerosols and from rarefied astrophysical plasmas to dense plasmas in nuclear fusion devices. Both fundamental and application aspects are covered.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Evaluation of bio-inspired flow fields in a mediated Li-S flow battery for grid energy storage

Lithium-sulfur is a redox flow battery with high energy density for applications in safe, reliable, and lasting scaling of energy. However, lithium-based batteries often encounter platting as a problem thanks to poor Li-ions deposition after cycling. Aiming to reduce this impact, a uniform and continuous flow of ions is needed. On this work, novel bio-inspired flow fields in the electrochemical cell were tested to improve ions flowability and lithium platting control, ultimately enhancing battery performance and life. To secure Li-S efficient, low-cost, and secure energy storage capabilities, we chose a configuration with decamethylferrocene and cobaltocene acting as redox mediators, Li metal as anode and sulfur kept in a separate catholyte reservoir. Flow test and battery results insinuated a beneficial influence of bio-inspired designs in flowing electrolyte uniformly with less pressure and pump power in comparison to other conventional designs used in the industry, with an encouraging ability to approach a cheap, safe, and reliable Li-S grid energy storage.

25 ENERGY STORAGE↗
DOE OSTI2025

High Gradient Magnetic Simulation Final Report 2025

Over the course of nearly 2 years, the goal of this project has been to identify methods for the separation of uranium oxide particles from other geologic materials. The primary motivation is to assess methods for enhancing the extraction and throughput of actinide particles from environmental samples, enabling the evaluation of these trace actinides through more traditional methods such as thermal ionization mass spectrometry or secondary ion mass spectrometry.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2024

Use of Hydrogel Electrolyte in Zn-MnO2 Rechargeable Batteries: Characterization of Safety, Performance, and Cu2+ Ion Diffusion

Achieving commercially acceptable Zn-MnO2 rechargeable batteries depends on the reversibility of active zinc and manganese materials, and avoiding side reactions during the second electron reaction of MnO2. Typically, liquid electrolytes such as potassium hydroxide (KOH) are used for Zn-MnO2 rechargeable batteries. However, it is known that using liquid electrolytes causes the formation of electrochemically inactive materials, such as precipitation Mn3O4 or ZnMn2O4 resulting from the uncontrollable reaction of Mn3+ dissolved species with zincate ions. In this paper, hydrogel electrolytes are tested for MnO2 electrodes undergoing two-electron cycling. Improved cell safety is achieved because the hydrogel electrolyte is non-spillable, according to standards from the US Department of Transportation (DOT). The cycling of “half cells” with advanced-formulation MnO2 cathodes paired with commercial NiOOH electrodes is tested with hydrogel and a normal electrolyte, to detect changes to the zincate crossover and reaction from anode to cathode. These half cells achieved ≥700 cycles with 99% coulombic efficiency and 63% energy efficiency at C/3 rates based on the second electron capacity of MnO2. Other cycling tests with “full cells” of Zn anodes with the same MnO2 cathodes achieved ~300 cycles until reaching 50% capacity fade, a comparable performance to cells using liquid electrolyte. Electrodes dissected after cycling showed that the liquid electrolyte allowed Cu ions to migrate more than the hydrogel electrolyte. However, measurements of the Cu diffusion coefficient showed no difference between liquid and gel electrolytes; thus, it was hypothesized that the gel electrolytes reduced the occurrence of Cu short circuits by either (a) reducing electrode physical contact to the separator or (b) reducing electro-convective electrolyte transport that may be as important as diffusive transport.

25 ENERGY STORAGE↗
DOE OSTI2022

Nanoscale Three-Dimensional Imaging of Degradation in Composite Si-Containing Anodes

The use of silicon (Si) in next-generation lithium-ion battery (LIB) anodes has the potential to dramatically improve electrochemical performance over current LIB graphite (Gr) anodes, due to silicon’s higher specific capacity.1 However, widespread implementation of Si-containing anodes is inhibited by issues such as significant Si volume expansion during lithiation and an unstable solid-electrolyte interphase (SEI), resulting in unreliable performance and poor cycle life. Currently, composite anodes with both Si and graphite active materials are used to increase capacity and mitigate some of the limitations associated with Si. In composite electrodes with a heterogeneous distribution of components with varying electrical properties (including Si, Gr, conductive carbon additive, and binder), it is important to understand the local distribution of each component to correlate with electrochemical processes, particularly localized degradation and heterogeneous aging, and to optimize performance. To investigate Si-containing composite anodes in the nanoscale, we use scanning spreading resistance microscopy (SSRM), a form of scanning probe microscopy (SPM) that probes local electronic resistivity. By examining the intrinsic electronic resistivity contrast between the anode components, separate phases can be distinguished and understood within the composite structure.2 This work studies the effect of electrochemical cycling in two different electrolytes on component distribution and aging by comparing the electrical and structural evolution of composite Si-graphite electrodes and SEI before and after charge-discharge cycling. 1. W. J. Zhang. A review of the electrochemical performance of alloy anodes for lithium-ion batteries J. Power Sources 196 13–24 (2011). 2. C. Stetson, Z. Huey, A. Downard, Z. Li, B. To, A. Zakutayev, C.-S. Jiang, M. Al-Jassim, D. Finegan, S.-D. Han and S. DeCaluwe: Three-Dimensional Mapping of Resistivity and Microstructure of Composite Electrodes for Lithium-Ion Batteries. ACS Nano Letters Accepted (2020).

ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Uncovering the binding nature of thiocyanate in contact ion pairs with lithium ions

Ion pair formation is a fundamental molecular process that occurs in a wide variety of systems, including electrolytes, biological systems, and materials. In solution, the thiocyanate (SCN–) anion interacts with cations to form contact ion pairs (CIPs). Due to its ambidentate nature, thiocyanate can bind through either its sulfur or nitrogen atoms, depending on the solvent. This study focuses on the binding nature of thiocyanate with lithium ions as a function of the solvents using FTIR, 2D infrared spectroscopy (2DIR) spectroscopies, and theoretical calculations. The study reveals that the SCN– binding mode (S or N end) in CIPs can be identified through 2DIR spectroscopy but not by linear IR spectroscopy. Linear IR spectroscopy shows that the CN stretch frequencies are too close to one another to separate N- and S-bound CIPs. Moreover, the IR spectrum shows that the S–C stretch presents different frequencies for the salt in different solvents, but it is related to the anion speciation rather than to its binding mode. A similar trend is observed for the anion bend. 2DIR spectra show different dynamics for N-bound and S-bound thiocyanate. In particular, the frequency–frequency correlation function (FFCF) dynamics extracted from the 2DIR spectra have a single picosecond exponential decay for N-bound thiocyanate and a biexponential decay for S-bound thiocyanate, consistent with the binding mode of the anion. Lastly, it is also observed that the binding mode also affects the line shape parameters, probably due to the different molecular mechanisms of the FFCF for N- and S-bound CIPs.

25 ENERGY STORAGE↗
DOE OSTI2021

Beta decay of the axially asymmetric ground state of 192 Re

The β decay of 192 75 Re 117 , which lies near the boundary between the regions of predicted prolate and oblate deformations, has been investigated using the KEK Isotope Separation System (KISS) in RIKEN Nishina Center. This is the first case in which a low-energy beam of rhenium isotope has been successfully extracted from an argon gas-stopping cell using a laser-ionization technique, following production via multi-nucleon transfer between heavy ions. The ground state of 192 Re has been assigned J π = (0⁻) based on the observed β feedings and deduced logft values towards the 0⁺ and 2⁺ states in 192 Os, which is known as a typical γ-soft nucleus. Furthermore, the shape transition from axial symmetry to axial asymmetry in the Re isotopes is discussed from the viewpoint of single-particle structure using the nuclear Skyrme-Hartree-Fock model.

192Re↗
DOE OSTI2024

3D-Printed Porous Supramolecular Sorbents for Cobalt Recycling

Electronic waste recycling is a recognized global challenge that requires new strategies to bind and release critical materials selectively, such as cobalt present in lithium-ion batteries. To address this challenge, hierarchical 3D-printed porous polymer scaffolds bearing supramolecular receptors were prepared using vat photopolymerization and their cobalt binding profiles were examined as a function of matrix polarity. By combining high-resolution digital light processing (DLP) with polymerization-induced phase separation (PIPS), functional acrylic copolymer networks with micrometer-level precision of geometry and nanometer-level pores were generated. Covalent integration of a methacrylate-functionalized bisdicyclohexyl acetamide (BDCA-MA) receptor enabled binding and release of cobalt(II) chloride (CoCl 2 ) via a solvent polarity switch mechanism involving a change in solvent from ethanol to water. The present structures proved reusable as shown by sustained high binding efficiency over five bind and release cycles. Finally, this platform represents a “green” and energy conscious method for future electronic waste recycling.

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

Investigating the effect of heterogeneities across the electrode|multiphase polymer electrolyte interfaces in high-potential lithium batteries

Polymer electrolytes hold great promise for safe and high-energy batteries comprising solid or semi-solid electrolytes. Multiphase polymer electrolytes, consisting of mobile and rigid phases, exhibit fast ion conduction and desired mechanical properties. However, fundamental challenges exist in understanding and regulating interactions at the electrode|electrolyte interface, especially when using high-potential layered oxide active materials at the positive electrode. Here we demonstrate that depletion of the mobile conductive phase at the interface contributes to battery performance degradation. Molecular ionic composite electrolytes, composed of a rigid-rod ionic polymer with nanometric mobile cations and anions, serve as a multiphase platform to investigate the evolution of ion conductive domains at the interface. Chemical and structural characterizations enable the visualization of concentration heterogeneity and spatially resolve the interfacial chemical states over a statistically significant field of view for buried interfaces. We report that concentration and chemical heterogeneities prevail at electrode|electrolyte interfaces, leading to phase separation in polymer electrolytes. In conclusion, understanding the hidden roles of interfacial chemomechanics in polymer electrolytes enables us to design an interphase tailoring strategy based on electrolyte additives to mitigate the interfacial heterogeneity and improve battery performance.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Molecularly engineered Li compensation agent-integrated separator enabling regeneration of degraded LiFePO 4

Lithium replenishment separators (LRSs) integrating pre-lithiation agents can regenerate degraded lithium cathodes via facile reassembly with a fresh anode and the LRS. A persistent challenge is the formation of gas or solid residues during pre-lithiation. To address this, for the first time, we develop an LRS based on a molecularly engineered dilithium salt of tetrafluorohydroquinone, which compensates for lithium loss while generating decomposition products that dissolve in the electrolyte as a favorable additive, without forming gas or solid residues, thus offering a green route for lithium compensation. A pristine LiFePO 4 ‖graphite full cell with the LRS exhibits 9.3% higher overall capacity than a polypropylene separator (PPS) cell after 50 cycles at 0.5C, and the degraded LiFePO 4 ‖graphite full cell incorporating this LRS achieves a 44.9% higher capacity than the PPS-based cell after 200 cycles at 0.5C. Our LRS demonstrates strong potential for high-performance lithium-ion batteries and spent battery regeneration.

Tao, Fujun [Worcester Polytechnic Institute, MA (U↗
DOE OSTI2023

Constraints on hadron resonance gas interactions via first-principles Lattice QCD susceptibilities

We investigate extensions of the Hadron Resonance Gas (HRG) Model beyond the ideal case by incorporating both attractive and repulsive interactions into the model. When considering additional states exceeding those measured with high confidence by the Particle Data Group, attractive corrections to the overall pressure in the HRG model are imposed. On the other hand, we also apply excluded-volume corrections, which ensure there is no overlap of baryons by turning on repulsive (anti)baryon-(anti)baryon interactions. We emphasize the complementary nature of these two extensions and identify combinations of conserved charge susceptibilities that allow us to constrain them separately. In particular, we find interesting ratios of susceptibilities that are sensitive to one correction and not the other. This allows us to constrain the excluded volume and particle spectrum effects separately. Analysis of the available lattice results suggests the presence of both the extra states in the baryonstrangeness sector and the repulsive baryonic interaction, with indications that hyperons have a smaller repulsive core than non-strange baryons. We note that these results are interesting for heavy-ion-collision systems at both the LHC and RHIC.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

First graded metal pushered single shell capsule implosions on the National Ignition Facility

Graded metal pushered single shell (PSS) capsules are predicted to be a viable alternative to low-Z capsule indirect drive inertial confinement fusion (ICF) implosions for achieving high fusion yields [MacLaren et al., Phys. Plasmas 28, 122710 (2021)]. The first experiments with Be/Cr-graded metal PSS capsules indicate that the implementation of the principle design feature, the graded density inner metal layer, has succeeded in producing a stable implosion with performance in agreement with predictions. With 50% Cr concentration in the pusher, PSS capsules have greater than ~2× higher shell densities during stagnation for enhanced core confinement and radiation trapping at ~35% lower shell implosion velocities than low-Z capsules. High-energy >30 keV inflight shell radiography recorded 215 km/s implosion velocities and show that implosion Legendre mode P 2 asymmetry can be tuned via inner-to-outer beam wavelength separation, similar to other implosions. Shell radiographs and neutron core images show similar P 2 asymmetry, suggesting no symmetry swings between peak implosion velocity and stagnation times. Despite the modest implosion velocities, gas-filled deuterium–tritium capsule implosions generate 10 15 neutron yields at relatively modest core ion temperatures of 2.75 keV, indicating that in spite of the high-density inner layer, the implosions have been stabilized by the design density gradient. When compared with hydrodynamic simulations, the measured yield-over-simulated is 35% due to fuel–pusher mix and other perturbations such as the capsule fill tube. Finally, simple analytical scalings of hot spot pressure and neutron yield show that PSS implosions reach similar performance at lower implosion velocities and higher shell densities to low-Z ICF capsules.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗