DEVELOPMENT OF NICKEL RICH AND CONCENTRATION GRADIENT CATHODE MATERIALS FOR HIGH ENERGY DENSITY AND LONG CYCLE-LIFE LITHIUM ION BATTERIES USING CONTROLLED MICRO-AEROSOL PYROLYSIS
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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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Lithium anodes, inorganic and organic cathodes, vacuum-distilled solvents, and methods for sintering cupric fluoride on lightweight metal substrates - development of high energy battery
There is an intensive search for high-performance cathode materials for rechargeable batteries. In this work the authors report that oxyfluorides with partial spinel-like cation order, made from earth-abundant elements, display both exceptionally high energy and power. The rapid market growth of rechargeable batteries requires electrode materials that combine high power and energy and are made from earth-abundant elements. In this paper we show that combining a partial spinel-like cation order and substantial lithium excess enables both dense and fast energy storage. Cation overstoichiometry and the resulting partial order is used to eliminate the phase transitions typical of ordered spinels and enable a larger practical capacity, while lithium excess is synergistically used with fluorine substitution to create a high lithium mobility. With this strategy, we achieved specific energies greater than 1,100 Wh kg -1 and discharge rates up to 20 A g -1 . Remarkably, the cathode materials thus obtained from inexpensive manganese present a rare case wherein an excellent rate capability coexists with a reversible oxygen redox activity. Our work shows the potential for designing cathode materials in the vast space between fully ordered and disordered compounds.
All electric vertical take-off and landing vehicles (eVTOL) for urban air mobility (UAM) concepts face numerous challenging technical barriers before their introduction into the consumer marketplace. The most challenging of these technical barriers to overcome is developing an energy storage system capable of meeting the rigorous aerospace safety and performance criteria1. The performance metrics for eVTOL craft, such as specific energy, specific power, and safety, exceed those of electric automobiles by a factor of two to four. Current state-of-the-art (SOA) lithium-ion batteries are incapable of meeting the key performance criteria of energy and safety for eVTOL. Therefore, next generation advanced chemistries and designs must be developed to meet required performance metrics for electric aviation2. Beyond lithium-ion chemistries, such as lithium-sulfur, show promise in their high energy, while limitations exist in their power and cyclability due to low electrical conductivity and high intermediate solubility in organic liquid electrolytes. Several strategies to overcome the low electrical conductivity involve the use of selenium as a dopant in the active sulfur material, along with the incorporation of 2-dimensional electron-conducting holey-graphene to improve the composite cathodes electronic conductivity. Furthermore, combining this chemistry with a solid-electrolyte avoids the components’ dissolution issues3. However, the development of composite solid-state cathodes is non-trivial as several components must be intimately mixed so that the active component has sufficient access to both electrons and lithium ions to undergo full electrochemical conversion. Mathematical modeling of battery components can assist experimental design through a robust and rigorous combination of computational modeling techniques covering multiple length scales. The objective is to leverage modern computational materials methods combined with battery multiphysics tools to develop radically advanced compatible cathode and electrolyte materials, build and test solid state lithium-sulfur cells and packs. A NASA-based cross-organizational team of high-powered experts combined integrated computational predictive modeling, fundamental chemistry analysis, advanced material science, and battery cell development to tackle this very challenging, multidisciplinary problem. This presentation will show a multiscale computational modeling approach that has produced a novel particle dynamics method called Solid Electrolyte Sphere Approximation Model (SESAM). SESAM modeling targets the 1-10 µm scale structures and provides electromechanical and grain interactions for predictive design guidelines for the manufacturing of solid-state components. Parameters such as particle size and volume fraction of the constituent materials were modeled and experimentally fabricated to optimize electrochemical performance through improved microstructure design. Experimental feedback was provided through ionic and electronic conductivity assessment and structural analysis of developed materials and cell components.
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Cherenkov gamma ray detectors are a valuable diagnostic technique for HED systems. Inertial confinement fusion is working towards high gain ignition. Gamma rays from ICF systems can help inform the degradation mechanisms preventing ignition: Carbon ablator is not being degraded, unlike the DT fuel; carbon γ timing can estimate shell energy during bangtime and may suggest hot spot cooling rate; and Cherenkov detectors are also used for high spatial and temporal resolution ICF mix studies on OMEGA. Cherenkov systems also inform energy spectrum of radiographic sources: ARC laser and Mercury pulsed power machine.
In the project we investigated mechanisms to sculpt phase space by controlling plasma instabilities. We found that linear theory, which applies in the initial growth phase of an instability, allows for initial conditions that can suppress instabilities. This provides a possible mechanism to release the energy available to an instability on demand. We developed various computational techniques that can reduce computational cost of simulations while maintaining or improving physical fidelity. We considered the Buneman instability in the presence of a ponderomotively driven plasma wave to examine the interplay between an instability and steady-state plasma response.
In stellar environments nuclei appear at finite temperatures, becoming extremely hot in core-collapse supernovae and neutron-star mergers. However, due to theoretical and computational complexity, most model calculations of nuclear properties are performed at zero temperature, while those existing at finite temperatures are limited only to selected regions of the nuclide chart. In this study we perform the global calculation of nuclear properties for even-even 8 ≤ Z ≤ 104 nuclei at temperatures in range 0 ≤ T ≤ 2 MeV. Calculations are based on the finite-temperature relativistic Hartree-Bogoliubov model supplemented by the Bonche-Levit-Vautherin vapor subtraction procedure. We find that near the neutron-drip line the continuum states have significant contribution already at moderate temperature T ≈ 1 MeV, thus emphasizing the necessity of the vapor subtraction procedure. Results include neutron emission lifetimes, quadrupole deformations, neutron-skin thickness, proton and neutron pairing gaps, entropy and excitation energy. Up to the temperature T ≈ 1 MeV, the nuclear landscape is influenced only moderately by the finite-temperature effects, mainly by reducing the pairing correlations. Here, as the temperature increases further, the effects on nuclear structures become pronounced, reducing both the deformations and the shell effects.
Here this paper describes how x-ray and neutron distribution functions can be useful tools to visualize the conditions measured in many types of plasma physics experiments. In particular, we model a standard inertial confinement fusion ignition capsule that consists of a Si doped plastic ablator surrounding a layer of deuterium–tritium (DT) ice as the yield varies from 18 kJ to 16.7 MJ and use the distribution functions to show that neutrons and high energy x rays (15 keV) are produced under similar conditions when the yield is low. However, as the capsule starts to support a propagating burn due to alpha heating, the x rays and neutrons are produced under somewhat different conditions in different parts of the plasma. In particular, the x-ray production takes place mainly in the hot plastic ablator for the full yield ignition capsule under quite different plasma conditions from the DT region producing the 14 MeV neutrons, which results in x-ray images with larger radii than the corresponding neutron images. These same distribution functions can be applied to many other plasma physics experiments.
This R&D project proposed a systematical study to develop a new class of NG super-absorbent polymer (NG-SAP) with the objective to achieve similar CNG volumetric storage level ~250 cm 3 -STP/cm 3 and fast sorption-desorption kinetics at ambient temperature but lower operational pressure (<100 bar). We suggested two consecutive research phases, including (i) a systematical investigation of various polymer systems to identify the suitable classes that can exhibit methane (C1) binding energy in the range of 20-25 kJ/mol and then (ii) focusing on the potential class polymers to identify the specific structure and morphology that can achieve the project objective.In first research phase (1st year), the major tasks included design and synthesis of several representative polymers with various structure attributes, examining their molecular structures, pore morphology, and BET surface area as the prepared samples, and then studying their C1 binding energy and sorption capacity.
The direction of propagation of low frequency magnetic fluctuations generated by cometary ion pick-up is examined by means of 1D electromagnetic hybrid simulations. The newborn ions are injected at a constant rate, and the helicity and direction of propagation of magnetic fluctuations are explored for cometary ion injection angles of 0 and 90 deg relative to the solar wind magnetic field. The parameter eta represents the relative contribution of wave energy propagating in the direction away from the comet, parallel to the beam. For small (quasi-parallel) injection angles eta was found to be of order unity, while for larger (quasi-perpendicular) angles eta was found to be of order 0.5.
An absolute cross section for the radiative capture reaction 2H(p, γ ) 3He has been measured at the OMEGA laser facility using inertially confined plasmas. These high-temperature plasmas are created by imploding a fuel containing capsule using laser ablation, and are advantageous in that they better mimic astrophysical systems. We measure an S factor for this reaction of 0.429 ± 0.026stat ± 0.072sys eV b at Ec.m. = 16.35 ± 0.40 keV, which is higher than the adopted evaluations. This reaction is important as a source of nuclear energy in protostars and brown dwarfs. It is also a critical reaction during big-bang nucleosynthesis, and an accurate cross section can be used as a constraint on cosmology.
An absolute cross section for the radiative capture reaction 2 H(p,γ) 3 He has been measured at the OMEGA laser facility using inertially confined plasmas. These high-temperature plasmas are created by imploding a fuel-containing capsule using laser ablation, and are advantageous in that they better mimic astrophysical systems. We measure an S factor for this reaction of 0.429 ± 0.026 stat ± 0.072 sys eV b at E c.m . = 16.35 ± 0.40 keV, which is higher than the adopted evaluations. Furthermore, this reaction is important as a source of nuclear energy in protostars and brown dwarfs. It is also a critical reaction during big-bang nucleosynthesis, and an accurate cross section can be used as a constraint on cosmology.
Abstract Cosmic rays (CRs) are the primary driver of ionization in star-forming molecular clouds (MCs). Despite their potential impacts on gas dynamics and chemistry, no simulations of star cluster formation following the creation of individual stars have included explicit cosmic-ray transport (CRT) to date. We conduct the first numerical simulations following the collapse of a 2000 M ⊙ MC and the subsequent star formation including CRT using the STAR FORmation in Gaseous Environments framework implemented in the GIZMO code. We show that when CRT is streaming-dominated, the CR energy in the cloud is strongly attenuated due to energy losses from the streaming instability. Consequently, in a Milky Way–like environment the median CR ionization rate in the cloud is low ( ζ ≲ 2 × 10 −19 s −1 ) during the main star-forming epoch of the calculation and the impact of CRs on the star formation in the cloud is limited. However, in high-CR environments, the CR distribution in the cloud is elevated ( ζ ≲ 6 × 10 −18 ), and the relatively higher CR pressure outside the cloud causes slightly earlier cloud collapse and increases the star formation efficiency by 50% to ∼13%. The initial mass function is similar in all cases except with possible variations in a high-CR environment. Further studies are needed to explain the range of ionization rates observed in MCs and explore star formation in extreme CR environments.
Controlling nonequilibrium dynamics in quantum materials requires ultrafast probes with spectral selectivity. We report femtosecond reflectivity measurements on the cuprate superconductor Bi 2 Sr 2 CaCu 2 O 8+𝛿 using free-electron laser extreme-ultraviolet (23.5–177 eV) and near-infrared (1.5 eV) pump pulses. EUV pulses access deep electronic states, while NIR light excites valence-band transitions. Despite these distinct channels, both schemes produce nearly identical dynamics: above 𝑇 𝑐 , excitations relax through fast (100–300 fs) and slower (1–5 ps) channels; below 𝑇 𝑐 , a delayed component signals quasiparticle recombination and condensate recovery. We find that when electronic excitations are involved, the ultrafast response is governed mainly by absorbed energy rather than by the microscopic nature of the excitation. In contrast, bosonic driving in the THz or midinfrared produces qualitatively different dynamics. By demonstrating that EUV excitation of a correlated superconductor yields macroscopic dynamics converging with those from optical pumping, this work defines a new experimental paradigm: FEL pulses at core-level energies provide a powerful means to probe and control nonequilibrium electronic states in quantum materials on their intrinsic femtosecond timescales. This establishes FEL-based EUV pumping as a new capability for ultrafast materials science, opening routes toward soft x-ray and attosecond studies of correlated dynamics.
Lithium-sulfur (Li-S) batteries involve complex solid-liquid-solid phase transformations during both discharging and charging processes, where cathode materials, formulation, and structure play a crucial role. Here, a design of experiments (DoE) methodology and an empirical model are developed to systematically explore the interactions and trade-offs among cathode factors and process variables, and to obtain generalizable effects estimates for the multivariate system. Compared to the conventional one-factor-at-a-time (OFAT) approach, this work demonstrates advantages in both efficiency and accuracy by allowing the data to guide future research and decisions. Further, an optimized cathode formulation and processing parameters are predicted and validated experimentally, achieving over 1000 mAh g -1 in discharge capacity and improved cycling under practical lean electrolyte (4 µL mg -1 S) and high S-loading cathodes (>4 mg cm -2 ) conditions. The optimized cathode was scaled up and assembled into Li-S pouch cells, achieving 316 Wh kg -1 in cell-level energy, proving that the comprehensive and rigorous framework for optimizing complex systems with DoE leads to improved performance in a practical pouch cell system.