Accelerated battery life predictions through synergistic combination of physics-based models and machine learning
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25 ENERGY STORAGE↗
SEARCH · Engineering Papers
Results for “fast ions”
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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Comprehensive Insights into Nucleation, Autocatalytic Growth, and Stripping Efficiency for Lithium Plating in Full Cells
Synchrotron high-energy X-ray diffraction is used to enable nondestructive detection and quantification of heterogeneous lithium plating in working batteries. In this study a LiNi 0.5 Mn 0.3 Co 0.2 O 2 /graphite pouch cell was operated under 6C fast-charge rate for greater than 1200 cycles. The magnitude and spatial distribution of lithium plating, lithium stripping, and the effect of metallic lithium deposition on lithium intercalation into graphite were quantified. Fully intercalated graphite (LiC 6 ) was detected after discharge with a lateral distribution closely correlated with lithium plating, which can be used as a higher-sensitivity indicator for lithium plating. Over an extended cycle life, the overall metallic lithium concentration followed a sigmoidal curve indicating two-stage continuous nucleation and autocatalytic growth. The lithium stripping efficiency underwent an exponential decay as a function of cycle life as the buildup of metallic lithium hindered the efficient dissolution back into the electrolyte. The findings provide direct insights into the characteristics of lithium plating and stripping under realistic fast-charge conditions.
25 ENERGY STORAGE↗
Large-Scale Interlaboratory DI-FT-ICR MS Comparability Study Employing Various Systems
We report ultra-high resolution mass spectrometry (UHR-MS) coupled with direct infusion (DI) electrospray ionization offers a fast solution for accurate untargeted profiling. Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers have been shown to produce a wealth of insights into complex chemical systems because they enable unambiguous molecular formula assignment even if the vast majority of signals is of unknown identity. Inter-laboratory comparisons are required to apply this type of instrumentation in quality control (for food industry or pharmaceutics), large-scale environmental studies or clinical diagnostics. Extended comparisons employing different FT-ICR MS instruments with qualitative direct infusion analysis are scarce since the majority of detected compounds cannot be quantified. The extent to which observations can be reproduced by different laboratories remains unknown. We set up a preliminary study which encompassed a set of seventeen laboratories around the globe, diverse in instrumental characteristics and applications, to analyze the same sets of extracts from commercially available standard human blood plasma and Standard Reference Material (SRM) for blood plasma (SRM1950), which were delivered at different dilutions or spiked with different concentrations of pesticides. The aim of this study was to assess the extent to which the outputs of differently tuned FTICR mass spectrometers, with different technical specifications, are comparable for setting the frames of a future DI-FT-ICR MS ring trial. We concluded that a cluster of five laboratories, with diverse instrumental characteristics showed comparable and representative performance across all experiments, setting a reference to be used in a future ring trial on blood plasma.
47 OTHER INSTRUMENTATION↗
Planar laser induced fluorescence mapping of a carbon laser produced plasma
We present measurements of ion velocity distribution profiles obtained by laser induced fluorescence (LIF) on an explosive laser produced plasma. The spatiotemporal evolution of the resulting carbon ion velocity distribution was mapped by scanning through the Doppler-shifted absorption wavelengths using a tunable, diode-pumped laser. The acquisition of these data was facilitated by the high repetition rate capability of the ablation laser (1 Hz), which allowed for the accumulation of thousands of laser shots in short experimental times. By varying the intensity of the LIF beam, we were able to explore the effects of fluorescence power against the laser irradiance in the context of evaluating the saturation vs the non-saturation regime. The small size of the LIF beam led to high spatial resolution of the measurement compared to other ion velocity distribution measurement techniques, while the fast-gate operation mode of the camera detector enabled the measurement of the relevant electron transitions.
Instruments & Instrumentation↗
Stochastic mean-field theory and applications to multinucleon transfer and kinetic energy dissipation processes in heavy-ion collisions
In this Review article, a brief description of the stochastic mean-field (SMF) theory for describing reaction dynamics in low-energy heavy-ion collisions at bombarding energies in the vicinity of the Coulomb barrier is presented. In these collisions, as a result of strong Pauli blocking, binary nucleon collisions do not have a significant effect on the dissipation and fluctuations. At low energies, the mean-field fluctuations, due to initial correlations, have a dominant effect on fluctuations of macroscopic variables. The SMF theory proposes the determination of an ensemble of single-particle density matrices by specifying random initial fluctuations according to a distribution law. Employing an ensemble of single-particle density matrices, not only the mean values but also the distribution functions of the one-body observables can be determined. If the di-nuclear structure is maintained in heavy-ion collisions, such as deep inelastic collisions and fast quasi-fission reactions, a much simpler description of the reaction mechanism can be derived in terms of several macroscopic variables such as mass and charge asymmetry, and relative linear and relative angular momentum. In this case, by geometric projection of the SMF equations, it is possible to derive the quantal Langevin equations for macroscopic variables. As an application of quantal transport description, an analysis of multinucleon transfers and kinetic energy dissipation and fluctuations is presented for selected quasi-fission reactions.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Extreme Fast Charging: Effect of Positive Electrode Material on Crosstalk
Extreme fast charging (XFC) is a key requirement for the adoption of battery-based electric vehicles by the transportation sector. However, XFC has been shown to accelerate degradation, causing the capacity, life, and safety of batteries to deteriorate. We tested cells containing five positive electrode chemistries, LFP (olivine structure), LMO (spinel), LCO (layered), NMC811 (layered) and NCA (layered), using fast-charging protocols. After testing, the negative electrodes from cells containing positive electrodes crystallizing with a layered structure were found to have more lithium deposited on their surfaces. Further, those crystallizing with a layered structure also tended to have a larger increase in impedance than those crystallizing with a spinel or olivine structure. Characterization of the negative electrodes by X-ray photoelectron spectroscopy showed that using the concentrations of LiF and Li x PO y F z as metrics, the concentration of LiF in the SEI from the cell with different positive electrodes is LFP > LMO > LCO ~ NMC811 > NCA; and for Li x PO y F z , the order is LMO > LFP > NCA > NMC811 > LCO. Clearly, the positive-electrode material was influencing the amounts of these materials formed.
25 ENERGY STORAGE↗
Enabling Extreme Fast Charging with Energy Storage Final Report
The objective of this project was to develop and demonstrate an extreme fast charging (XFC) station with three 350 kW charging ports that operate at a combined power exceeding 1 MW and mitigate the grid impact by employing smart charging algorithms, using an energy storage system, and connecting directly to a medium-voltage (15 kV-class three-phase) distribution feeder. This final report describes the team's achievements in all aspects of the technology development.
24 POWER TRANSMISSION AND DISTRIBUTION↗
Computer modeling of test particle acceleration at oblique shocks
The present evaluation of the basic techniques and illustrative results of charged particle-modeling numerical codes suitable for particle acceleration at oblique, fast-mode collisionless shocks emphasizes the treatment of ions as test particles, calculating particle dynamics through numerical integration along exact phase-space orbits. Attention is given to the acceleration of particles at planar, infinitessimally thin shocks, as well as to plasma simulations in which low-energy ions are injected and accelerated at quasi-perpendicular shocks with internal structure.
Decker, Robert B.↗
Manned mission to Mars with periodic refueling from electrically propelled tankers
In a joint study by students from the Ecole Polytechnique Feminine, France, and the University of California, Los Angeles, a mission concept that had the objective of evaluating the feasibility of a non-nuclear, yet fast, manned mission to Mars was considered. Ion-engine propelled tankers are postulated that would provide mid-coarse refueling of LOX and LH2 to the manned ship. The scenario is therefore one of a 'split mission', yet with the added feature that the cargo ships include tankers for mid-course refueling. The present study is a continuation of one first conducted last year. Emphasis this year was on the design of the tanker fleet.
Gogan, Laura↗
The Consequences of Alfven Waves and Parallel Potential Drops in the Auroral Zone
The goal of this research is to examine the causes of field-aligned plasma acceleration in the auroral zone using satellite data and numerical simulations. A primary question to be addressed is what causes the field-aligned acceleration of electrons (leading to precipitation) and ions (leading to upwelling ions) in the auroral zone. Data from the Fast Auroral SnapshoT (FAST) and Polar satellites is used when the two satellites are in approximate magnetic conjunction and are in the auroral region. FAST is at relatively low altitudes and samples plasma in the midst of the auroral acceleration region while Polar is at much higher altitudes and can measure plasmas and waves propagating towards the Earth. Polar can determine the sources of energy streaming earthward from the magnetotail, either in the form of field-aligned currents, electromagnetic waves or kinetic particle energy, that ultimately leads to the acceleration of plasma in the auroral zone. After identifying and examining several events, numerical simulations are run that bridges the spatial region between the two satellites. The code is a one-dimensional, long system length particle in cell simulation that has been developed to model the auroral region. A main goal of this research project is to include Alfven waves in the simulation to examine how these waves can accelerate plasma in the auroral zone.
Schriver, David↗
NASA's Electric Sail Propulsion System Investigations over the Past Three Years
Personnel from NASA's MSFC have been investigating the feasibility of an advanced propulsion system known as the Electric Sail for future scientific missions of exploration. This team initially won a NASA Space Technology Mission Directorate (STMD) Phase I NASA Innovative Advanced Concept (NIAC) award and then a two year follow-on Phase II NIAC award. This paper documents the findings from this three year investigation. An Electric sail propulsion system is a propellant-less and extremely fast propulsion system that takes advantage of the ions that are present in the solar wind to provide very rapid transit speeds whether to deep space or to the inner solar system. Scientific spacecraft could arrive to Pluto in ~5 years, to the boundary of the solar system in ten to twelve years vs. thirty five plus years it took the Voyager spacecraft. The team's recent focused activities are: 1) Developing a Particle in Cell (PIC) numeric engineering model from the experimental data collected at MSFC's Solar Wind Facility on the interaction between simulated solar wind interaction with a charged bare wire that can be applied to a variety of missions, 2) The development of the necessary tether deployers/tethers to enable successful deployment of multiple, multi km length bare tethers, 3) Determining the different missions that can be captured from this revolutionary propulsion system 4) Conceptual designs of spacecraft to reach various destinations whether to the edge of the solar system, or as Heliophysics sentinels around the sun, or to trips to examine a multitude of asteroids These above activities, once demonstrated analytically, will require a technology demonstration mission (~2021 to 2023) to demonstrate that all systems work together seamlessly before a Heliophysics Electrostatic Rapid Transit System (HERTS) could be given the go-ahead. The proposed demonstration mission will require that a small spacecraft must first travel to cis-lunar space as the Electric Sail must be outside of Earth's Magnetic fields to produce thrust. The paper will outline what was done over the past three years from performing various plasma chamber tests to obtain data for the PIC model development, investigation of tether material trades, and conceptual designs of proposed spacecraft.
Wiegmann, Bruce M.↗
Electrochemical and Material Characterization of Laser Micro-Structured Thick Battery Electrodes
By first exploring the limitations of thick planer electrodes, advanced predictive models were prepared to identify optimal electrode patterns for improved cycling performance. Herein, the impact of electrode laser patterning will be discussed in detail. First, materials characterization techniques (SEM-EDS, XRD) were used to explore the effect ultrafast laser ablation had on the electrode materials' morphology and structure. Next, the improvements in the patterned electrodes' electrochemical cycling performances and degrees of wetting will be compared to a pristine baseline case. Finally, the correlation between experimentally obtained data and model predictions will be presented and discussed.
battery↗
Plasma Circulation in the Magnetosphere
We investigate the global structure and dynamics of plasma circulation produced by prototypical solar wind disturbances of the interplanetary magnetic field and dynamic pressure. We track the global circulation and energization of solar wind, polar wind, and auroral wind plasmas throughout the magnetosphere, until they precipitate or escape into the downstream solar wind. We use the full equations of motion of the plasma ions within fields produced by a global MHD simulation of the dynamic solar wind interaction. We use the dynamic hot plasma density and Poynting energy flux specified at the inner boundary of the MHD simulation as drivers of conjugate ion outflow fluxes using local empirical relations obtained from the FAST and Polar missions. Birkeland currents computed by the MHD code are used to derive a field-parallel potential drop from a Knight-like relation [as modified by Lyons and Evans, 1980]. This potential drop is applied to each ion as an initial bulk energy, added to a thermal heating driven by the locally incident Poynting flux. The solar wind pressure increase case (B(sub Y) = 5; B(sub z) = 0 nT) produces an immediate substorm owing to compression of pre-existing plasmas. The SB(sub z), interval (embedded in NB(sub z)) produces a substorm after about one hour of development. Both disturbances enhance the auroral wind flux and heavy ion pressure of the magnetosphere substantially, with complex dynamic structuring by auroral acceleration vortexes and dynamic reconnection. Comparisons are made with observations during disturbed periods including the Halloween 2003 super-storm and other periods.
Moore, T. E.↗
Stabilizing High–Nickel Cathodes with High–Voltage Electrolytes
Electrolytes connect the two electrodes in a lithium battery by providing Li + transport channels between them. Advanced electrolytes are being explored with high-nickel cathodes and the lithium-metal anode to meet the high energy density and cycle life goals, but the origin of the performance differences with different electrolytes is not fully understood. Here, the mechanisms involved in protecting the high-capacity, cobalt-free cathode LiNiO 2 with a model high-voltage electrolyte (HVE) are delineated. The kinetic barrier posed by a thick surface degradation layer with poor Li + -ion transport is found to be the major contributor to the fast capacity fade of LiNiO 2 with the conventional carbonate electrolyte. In contrast, HVE reduces the side reactions between the electrolyte and the electrodes, leading to a thinner nano-interphase layer comprised of more beneficial species. Crucially, the HVE leads to a different surface reorganization pathway involving the formation of a thinner nanoscale LiNi 2 O 4 spinel phase on the LiNiO 2 surface. Finally, with a high 3D Li + -ion and electronic conductivity, the spinel LiNi 2 O 4 reorganization nanolayer preserves fast Li + transport across the cathode–electrolyte interface, reduces reaction heterogeneity in the electrode and alleviates intergranular cracking within secondary particles, resulting in superior long-term cycle life.
25 ENERGY STORAGE↗
Machine learning enhanced predictions of ICRF heating: Overcoming numerical limitations via data curation
In this work, we present the development of robust surrogate models for Ion Cyclotron Range of Frequencies (ICRF) and High-Harmonic Fast Wave (HHFW) heating predictions in fusion plasmas. Building upon our previous efforts to achieve real-time capable models, we identify the cause of the outliers found using TORIC in certain HHFW heating scenarios. The outliers are observed to be spurious ion Bernstein wave (IBW)-like modes caused by a wavelength control algorithm designed to address challenging scenarios with high perpendicular wavenumbers. The effect arises from the modulation in the perpendicular susceptibility, which can induce sign reversal and IBW-like propagation for scenarios featuring normalized ion Larmor radius λ i ≫ 1. We use TORIC with this algorithm disabled to generate a novel HHFW-NSTX database that is free of outliers. Surrogate models trained on this database, including Random Forest Regressor (RFR), Multi-Layer Perceptrons, and Gaussian Process Regressors (GPR), demonstrate the ability to accurately predict HHFW heating profiles, with regression scores of R 2 ∈[0.93−0.99]. Additionally we demonstrate that it is possible to generalize predictions beyond training data by the use of both RFR and GPR models, enabling the prediction of scenarios previously limited to the original model. GPR models also provide uncertainty quantification, offering insights into model confidence. This work introduces a comprehensive Verification, Validation, and Uncertainty Quantification methodology for surrogate modeling, applicable not only to ICRF heating but also to other RF heating challenges and fusion physics problems. Beyond accelerated inference, these models show effective extrapolation capabilities, providing an alternative for addressing numerical challenges.
Artificial neural networks↗
Real-Time Quantitative Analysis of H2, He, O2, and Ar by Quadrupole Ion Trap Mass Spectrometry
The use of a quadrupole ion trap mass spectrometer for quantitative analysis of hydrogen and helium as well as other permanent gases is demonstrated. The customized instrument utilizes the mass selective instability mode of mass analysis as with commercial instruments; however, this instrument operates at a greater RF trapping frequency and without a buffer gas. With these differences, a useable mass range from 2 to over 50 Da is achieved, as required by NASA for monitoring the Space Shuttle during a launch countdown. The performance of the ion trap is evaluated using part-per-million concentrations of hydrogen, helium, oxygen and argon mixed into a nitrogen gas stream. Relative accuracy and precision when quantitating the four analytes were better than the NASA-required minimum of 10% error and 5% deviation, respectively. Limits of detection were below the NASA requirement of 25-ppm hydrogen and 100-ppm helium; those for oxygen and argon were slightly higher than the requirement. The instrument provided adequate performance at fast data recording rates, demonstrating the utility of an ion trap mass spectrometer as a real-time quantitative monitoring device for permanent gas analysis.
Ottens, Andrew K.↗
Probing the role of local tunnel variations in early-stage lithiation of α-MnO₂ nanowires via in situ TEM
Understanding lithium-ion transport in tunnel-structured manganese oxides is essential for designing high-performance lithium-ion battery electrode materials. Here, we elucidate the early-stage lithiation mechanism of potassium-stabilized α-MnO 2 nanowires using in situ transmission electron microscopy (TEM) coupled with electron energy-loss spectroscopy (EELS), high-resolution TEM (HRTEM), and geometric phase analysis (GPA). Real-time TEM imaging reveals clear volume expansion at the reaction front, while EELS analysis uncovers lithium-ion diffusion far beyond this region, where no visible expansion is observed, indicating fast, defect-assisted transport. GPA and HRTEM analyses show that localized tensile and compressive strain fields, originating from pre-existing local tunnel structural variations, persist after lithiation. The tensile-strained regions enable lithium-ion insertion with minimal lattice distortion, offering additional free volume that facilitates rapid lithium-ion accommodation ahead of the structural transformation. Our results demonstrate a local tunnel variation-mediated fast diffusion pathway that precedes bulk reaction, underscoring the critical role of local strain in enabling early-stage lithium transport. Given the structural versatility of MnO 2 and its ability to accommodate diverse atomic arrangements beyond the well-known tunnel phases (β-, γ-, δ-, λ-, R-phases), our findings highlight the importance of understanding and engineering local structural environments. This work provides fundamental insights into the interplay between defects, strain, and ion dynamics, and presents defect engineering as a promising approach to enhance both rate performance and structural stability in manganese-based cathodes.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Observations of two distinct populations of bow shock ions in the upstream solar wind
Observations upstream of the earth's bow shock with the LASL/MPI fast plasma experiments on ISEE 1 and 2 reveal the presence of two distinct and mutually exclusive populations of low energy (no more than 40 keV) ions apparently accelerated at the bow shock. The first of these, the 'reflected' population, is characterized by (1) sharply peaked spectra seldom extending much above about 10 keV/ion and (2) relatively collimated flow coming from the direction of the shock. On the other hand, the 'diffuse' ions are distinguished by relatively flat energy spectra above about 10 keV and broad angular distributions. They are by far the most commonly observed upstream ion event. A close causal association is suggested between the diffuse ion population in the upstream solar wind and energetic plasma ions observed within the magnetosheath.
Gosling, J. T.↗