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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 685 records · Page 38

Effectiveness of denoising diffusion probabilistic models for fast and high-fidelity whole-event simulation in high-energy heavy-ion experiments

Artificial intelligence (AI) generative models, such as generative adversarial networks (GANs), variational autoencoders, and normalizing flows, have been widely used and studied as efficient alternatives for traditional scientific simulations. However, they have several drawbacks, including training instability and inability to cover the entire data distribution, especially for regions where data are rare. This is particularly challenging for whole-event, full-detector simulations in high-energy heavy-ion experiments, such as sPHENIX at the Relativistic Heavy Ion Collider and Large Hadron Collider experiments, where thousands of particles are produced per event and interact with the detector. This work investigates the effectiveness of denoising diffusion probabilistic models (DDPMs) as an AI-based generative surrogate model for the sPHENIX experiment that includes the heavy-ion event generation and response of the entire calorimeter stack. DDPM performance in sPHENIX simulation data is compared with a popular rival, GANs. Results show that both DDPMs and GANs can reproduce the data distribution where the examples are abundant (low-to-medium calorimeter energies). Nonetheless, DDPMs significantly outperform GANs, especially in high-energy regions where data are rare. Additionally, DDPMs exhibit superior stability compared to GANs. The results are consistent between both central and peripheral centrality heavy-ion collision events. Moreover, DDPMs offer a substantial speedup of approximately a factor of 100 compared to the traditional Geant4 simulation method.

42 ENGINEERING↗

Highly Ordered Hierarchical Anodes for Extreme Fast Charging Batteries (Final Report)

The goal of this project is to enable extreme fast charging (XFC) of Li-ion batteries, which was accomplished through a combination of 1) rational design and manufacturing of hierarchically structured anode architectures; 2) blending graphite/hard carbon into a bulk hybrid anode; 3) engineering artificial solid-electrolyte interphase (SEI) coatings with reduced interphase impedance; 4) computational modeling of coupled transport, kinetic, and electrochemical phenomena; and 5) improved fundamental understanding of lithium plating through operando analysis. This work integrated structural, compositional, and surface modification of graphite anodes, multi-physics modeling of ion transport, electrochemical activity, and heat transfer, advanced strategies to detect Li plating, and semi-automated roll-to-roll cell assembly. The unique facilities at the University of Michigan (UM) and Sandia National Laboratories (SNL) were leveraged to manufacture, prototype, and characterize commercially relevant >2Ah and >180 Wh/kg cells with a target of <20% capacity fade over 500 XFC cycles.

25 ENERGY STORAGE↗

Mode Transitions in Hall Effect Thrusters

Mode transitions have been commonly observed in Hall Effect Thruster (HET) operation where a small change in a thruster operating parameter such as discharge voltage, magnetic field or mass flow rate causes the thruster discharge current mean value and oscillation amplitude to increase significantly. Mode transitions in a 6-kW-class HET called the H6 are induced by varying the magnetic field intensity while holding all other operating parameters constant and measurements are acquired with ion saturation probes and ultra-fast imaging. Global and local oscillation modes are identified. In the global mode, the entire discharge channel oscillates in unison and azimuthal perturbations (spokes) are either absent or negligible. Downstream azimuthally spaced probes show no signal delay between each other and are very well correlated to the discharge current signal. In the local mode, signals from the azimuthally spaced probes exhibit a clear delay indicating the passage of "spokes" and are not well correlated to the discharge current. These spokes are localized oscillations propagating in the ExB direction that are typically 10-20% of the mean value. In contrast, the oscillations in the global mode can be 100% of the mean value. The transition between global and local modes occurs at higher relative magnetic field strengths for higher mass flow rates or higher discharge voltages. The thrust is constant through mode transition but the thrust-to-power decreased by 25% due to increasing discharge current. The plume shows significant differences between modes with the global mode significantly brighter in the channel and the near-field plasma plume as well as exhibiting a luminous spike on thruster centerline. Mode transitions provide valuable insight to thruster operation and suggest improved methods for thruster performance characterization.

interplanetary exploration↗

Thermodynamic and kinetic properties of layered-CaCo2O4 for the Ca-ion batteries: a systematic first-principles study

One of the more promising directions in multivalent energy storage is systems based on Ca ion intercalation due to the potential for high voltage and capacity. A major challenge for enabling such a battery is to find cathode materials capable of fast ionic diffusion and reversible insertion of Ca ions. Here, on the basis of first-principles calculations, we have demonstrated that layered CaCo 2 O 4 exhibits favorable thermodynamic and kinetic properties that should enable topotactic Ca ion intercalation reactions. The P3-type layered Ca x Co 2 O 4 (0 < x < 1) with either of space groups of P 1 or P 2 1 / m are stable at multiple Ca concentrations and show a smooth voltage plateau higher than 3 V up to X = 0.5. The energy barriers of the single Ca ion migration are as low as 0.36 eV and 0.27 eV at the dilute and high vacancy concentration limits, respectively. Therefore, although varying the vacancy environments of the diffusing atom influences the migration barriers, they do not exceed 0.6 eV. Stochastic analysis of Ca hopping events performed by ab initio molecular dynamics (AIMD) simulation has shown that the migration barriers are lower than 0.32 eV. Therefore, the Ca diffusivity at room temperature extrapolated from the AIMD results is comparable to Li diffusivity (>10 -10 cm 2 s -1 ) in conventional Li cathode materials, suggesting the feasibility of layered Ca x Co 2 O 4 as multivalent cathode materials. Finally, the structural factors that enable fast diffusion are discussed.

25 ENERGY STORAGE↗

On the acceleration of thermal coronal ions by flare induced shock waves

The energy spectra of solar flare ions are calculated by assuming that the process which accelerates solar wind ions to MeV/ nucleon energies in the interplanetary corotating interaction region (CIR) also occurs in flare induced magnetosonic fast-mode (MFM) shocks in the corona. Solar wind ions are considered to be accelerated to MeV/nucleon energies by wave-particle interactions in the shock front and the downstream flow, being compressed between upstream and downstream magnetic field irregularities, and then accelerated by the shock drift acceleration mechanism. The energy spectra of the accelerated ions is calculated from the number of shock encounters as a function of the post- and preacceleration energies. A best fit by an exponential in momentum is determined for ions in the 50 MeV to a few GeV range, and from 20-80 MeV by a suitable power law in kinetic energy with a mean spectral index. Comparisons with observed solar protons show good agreement.

Decker, R. B.↗

Lithium plating induced degradation during fast charging of batteries subjected to compressive loading

Here we report the lithium plating associated capacity loss during fast charging of compressively loaded lithium-ion batteries (LIBs). The charging and discharging of LIB under compressive loading during service may affect the cell performance or initiate localized defects in the electrodes. Pouch cells of capacity 20 mAh were compressively loaded to nominal pressures of 0–440 kPa and subjected to 10 cycles of fast charging at 1 C and 4 C. Experimental results show that cells charged at 4 C-rate experienced significant capacity fade, and applying compressive loads exacerbated the capacity loss. The coulombic efficiency study shows that active lithium loss was higher for the initial cycles before gradually reducing to a minimal capacity loss for the tenth charging cycle. The cell voltage relaxation immediately after charging was monitored to identify the stripping of plated lithium after fast charging cycles and showed that the duration of lithium stripping was higher for cells under mechanical compressive loading. Scanning electron microscopy (SEM) and electron paramagnetic resonance spectroscopy (EPR) characterization of the anode showed significantly higher lithium deposits on the anodes charged at a 4 C rate under compressive loads. These results indicate that applied mechanical compression causes increased lithium plating during fast charging of batteries.

25 ENERGY STORAGE↗

Inverse Energy Dispersion of Energetic Ions Observed in the Magnetosheath

We present a case study of energetic ions observed by the Energetic Particle Detector (EPD) on the Magnetospheric Multiscale spacecraft in the magnetosheath just outside the subsolar magnetopause that occurred at 1000 UT on 8 December 2015. As the magnetopause receded inward, the EPD observed a burst of energetic (approximately 50-1000 keV) proton, helium, and oxygen ions that exhibited an inverse dispersion, with the lowest energy ions appearing first. The prolonged interval of fast antisunward flow observed in the magnetosheath and transient increases in the H components of global ground magnetograms demonstrate that the burst appeared at a time when the magnetosphere was rapidly compressed. We attribute the inverse energy dispersion to the leakage along reconnected magnetic field lines of betatron-accelerated energetic ions in the magnetosheath, and a burst of reconnection has an extent of about 1.5 R(sub E) using combined Super Dual Auroral Radar Network radar and EPD observations.

Lee, S. H.↗

Comparison of the Effects of Wave-Particle Interactions and the Kinetic Suprathermal Electron Population on the Acceleration of the Solar Wind

Kinetic effects due to wave-particle interactions and suprathermal electrons have been suggested in the literature as possible solar wind acceleration mechanisms. Ion cyclotron resonant heating, in particular, has been associated with some qualitative features observed in the solar wind. In terms of solar wind acceleration, however, it is interesting to compare the kinetic effects of suprathermal electrons with those due to the wave-particle interactions. The combined effects of the two acceleration mechanisms on the fast solar wind have been studied by Tam and Chang (1999a,b). In this study. we investigate the role of the suprathermal electron population in the acceleration of the solar wind. Our model follows the global kinetic evolution of the fast solar wind under the influence of ion cyclotron resonant heating, while taking into account Coulomb collisions, and the ambipolar electric field that is consistent with the particle distributions themselves. The kinetic effects due to the suprathermal electrons, which we define to be the tail of the electron distributions, can be included in the model as an option. By comparing the results with and without the inclusion of the suprathermal electron effects, we determine the relative importance of suprathermal electrons and wave-particle interactions in driving the solar wind. We find that although suprathermal electrons enhance the ambipolar electric potential in the solar wind considerably, their overall influence as an acceleration mechanism is relatively insignificant in a wave-driven solar wind.

Tam, S. W. Y.↗

The role of B T -dependent flows on W accumulation at the edge of the confined plasma

Abstract Near-separatrix impurity accumulation between the crown and the outer midplane of tokamaks is a common feature in results from codes such as SOLPS-ITER and DIVIMP; however, experimental evidence of accumulation has only recently been obtained and is reported here. The codes find that the poloidal distribution of impurity ions in the scrape-off layer (SOL) depends primarily on toroidal field ( B T )-dependent parallel flow patterns of the background plasma and the parallel ion temperature gradient (∇ ‖ T ion ) force. Experimentally, Mach probes used in L-mode plasmas with favorable (for H-mode access) B T measure fast ( M ∼ 0.3–0.5) inner-target-directed (ITD) background plasma flows at the crown of single-null discharges. This study reports a set of DIVIMP simulations for two similar H-mode discharges from the DIII-D W metal rings campaign differing primarily in B T -direction to assess the effect that fast ITD flows have on the distribution of W ions in the SOL. It is found that for imposed ITD flows of M = 0.3, W ions that otherwise accumulate due to the ∇ ‖ T ion -force are largely flushed out. It is also found that doubling the radial diffusion coefficient from 0.3 to 0.6 m 2 s −1 prevents accumulation due to rapid cross-field transport into the far-SOL, where background plasma flows drain W ions to the divertors. Far-SOL W distributions from DIVIMP are then used to specify input to the impurity transport code 3DLIM, which is used to interpretively model collector probe (CP) deposition patterns measured in the ‘wall-SOL’. It is demonstrated that the deposition patterns are consistent with the DIVIMP predictions of near-SOL accumulation for the unfavorable- B T direction, and little/no accumulation for the favorable- B T direction. The wall-SOL CPs have thus provided the first experimental evidence, albeit indirect, of near-SOL W accumulation—finding it occurs for the unfavorable- B T direction only. For the favorable- B T direction, fast flows can largely prevent accumulation from occurring.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Solar wind ions accelerated to 40 keV by shock wave disturbances

Observations in the solar wind with the LASL/MPI fast plasma experiment on ISEE 1 and 2 reveal the common presence of ions with energies extending from 100 eV up to at least 40 keV in a broad region, typically 10 million kilometers wide, following interplanetary shocks. Peak differential fluxes up to 5000/sq cm s sr keV at 28 keV are observed either at the shock or within the first 1.5 hours following shock passage. In the solar wind frame the distribution function of these ions is roughly isotropic, peaks near zero velocity, and above 5 keV can adequately be characterized as power law in energy with a spectral index of 2.7. The effective 'temperature' of these ions generally exceeds 100 million K. These suprathermal interplanetary ions are almost certainly solar wind ions which have been accelerated by some mechanism associated with the shock wave disturbance. Present evidence leads the authors to favor stochastic particle acceleration involving electrostatic and/or electromagnetic turbulence in the postshock flow.

Gosling, J. T.↗

Advanced battery modeling for interfacial phenomena and optimal charging

Lithium ion batteries are one of the most promising energy storage systems for portable devices, transportation, and renewable grids. To meet the increasing requirements of these applications, higher energy density and areal capacity, long cycle life, fast charging rate and enhanced safety for lithium ion battery (LIBs) are urgently needed. To solve these challenges, the relevant physics at different length scale need to be understood. However, experimental study is time consuming and limited in small scale’s study. Modeling techniques provide us powerful tools to get a deep understanding of the relevant physics and find optimal solutions. This work focuses on studying the mechanism in advanced battery engineering techniques and developing a new charging algorithm by model-based optimization. The research topics are divided into six topics and each topic is reported as a form of journal publication. Paper Ⅰ provides a new aspect of how ALD coating improves the lithium ion diffusion at electrode particles. Paper Ⅱ explains the mechanisms by which 3D electrodes enhance battery performance and reveals guidelines for optimized 3D electrode designs by a 3D electrochemical-mechanical battery model. Paper Ⅲ investigates the electrolyte concentration impact on SEI layer growth and Li plating, especially under high charge rates. Paper Ⅳ proposes an optimized charging protocol for fast charging for reducing the charging time with minimal degradation. Paper Ⅴ reports a comprehensive degradation model for degradation estimation and life predication of energy storage system (ESS). Paper Ⅵ is a study of temperature-dependent state of charge (SOC) estimation for battery pack.

25 ENERGY STORAGE↗

Particle acceleration at shocks with surface ripples

The present treatment of superthermal-ion acceleration on the surface of a fast-mode hydromagnetic shock gives attention to (1) small-amplitude surface ripples characterized by width L and amplitude A that are large relative to the energetic-ion gyroradius, and (2) shocks which are on average quasi-perpendicular. An investigation is made of the effects of the confinement, evolving geometry, and finite shock curvature associated with the ripple, by integrating along the orbits of the proton test particles. As an upstream magnetic field line convects through the surface ripple, it intersects the shock at two points, thereby forming a temporary magnetic trap. Flux-line profiles and angular distributions in a given ripple differ substantially, depending on the path it takes through the ripple and its distance from the shock.

Decker, R. B.↗

Interface chemistry informs about cathode and anode degradation during fast charging

Here, the aim of this study is to examine the development and makeup of the Solid Electrolyte Interphase (SEI) and Cathode Electrolyte Interphase (CEI) in lithium-ion batteries during rapid charging. Using X-ray photoelectron spectroscopy (XPS) and depth profiling, we investigate the chemical modifications occurring on the electrode surfaces during the initial formation and subsequent fast charge-discharge cycles. Our research shows that the anode's SEI initially comprises a thin layer rich in ketones, which then transforms into a thicker layer dominated by carbonaceous compounds during rapid charging cycles. Following assembly, lithium fluoride (LiF) quickly becomes a key element of the SEI, and its presence continues to grow substantially during the formation cycle, remaining the primary component throughout subsequent cycles. Initially, the cathode forms a thin oxide layer rich in ketones, with no noticeable carbonaceous CEI. The CEI primarily comprises LiF, which experiences an increase during the formation cycle and retains a thin layer of carbon coating after the initial rapid discharge. These findings show how the interphase layers impact the performance and stability of lithium-ion batteries, especially during fast charging for electric vertical take-off and landing (eVTOL) vehicles.

Fast charging↗

Measurement of near- and far-field impurity flows during pellet-induced rapid shutdown in DIII-D

Both near-field (<1 m away toroidally from the pellet) and far-field (>1 m away toroidally from the pellet) poloidal and toroidal impurity (carbon ion) flows are measured using visible imaging and fast bolometry during a polypropylene pellet-induced rapid plasma shutdown in the DIII-D tokamak. In the near field, the pellet appears to increase poloidal flow in the ion diamagnetic direction, possibly due to the strong radial temperature gradient caused by the pellet ablation. In the far field, the poloidal impurity flow typically appears slower and in the opposite direction. Toroidal impurity flow appears to be strongly influenced by the plasma initial toroidal rotation, especially in the far field. These results demonstrate that rapid shutdown impurity flows are not necessarily global in structure but can be quite different close to and far from the injected pellet.

Electromagnetic radiation detectors↗

Faster Heavy Ion Transport for HZETRN

The deterministic particle transport code HZETRN was developed to enable fast and accurate space radiation transport through materials. As more complex transport solutions are implemented for neutrons, light ions (Z < 2), mesons, and leptons, it is important to maintain overall computational efficiency. In this work, the heavy ion (Z > 2) transport algorithm in HZETRN is reviewed, and a simple modification is shown to provide an approximate 5x decrease in execution time for galactic cosmic ray transport. Convergence tests and other comparisons are carried out to verify that numerical accuracy is maintained in the new algorithm.

Slaba, Tony C.↗

Research on high power, doped titanium-niobium oxide anodes

The main objective of this project is to synthesize titanium niobium oxide (TNO) that has a nanoporous structure with porous channels for rapid lithium diffusion, enabling extreme fast charging (XFC). The focus of this project is to improve the electronic conductivity and ion diffusion coefficient in TNO to achieve high capacities under extreme fast charge conditions. In addition, electrolytes with additives will be formulated to promote stable interphase formation on the NMC cathode surface to improve long cycling stability.

25 ENERGY STORAGE↗

Dispersion discontinuities of strong collisionless shocks

Linear fluid equations are used to estimate wave train properties of strong collisionless shocks. Fast shocks exhibit several dispersion changes with increasing Mach number. For perpendicular propagation into a finite-beta plasma, an ion cyclotron radius trailing wave train exists only for (M sub F)2 is smaller than 2. Oblique fast shocks have a leading ion inertia wave train if M sub A is smaller than root of M(+)/M(-) cos theta/2 and a trailing electron inertia train if M sub A is greater than root of M(+)/M(-) cos theta/2. If the downstream sound speed exceeds the flow speed, linear wave theory predicts a trailing ion acoustic structure which probably resides within the magnetic shock. For a turbulent shock model in which an effective electron-ion collision frequency exceeds the lower hybrid frequency, ions decouple from the magnetic field; the shock wave train now trails with electron inertia and electron gyroradius lengths. Comparisons of this turbulent model and observations on the earth's bow shock are made.

Coroniti, F. V.↗