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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 163 records · Page 9

Three-Phase 3D Reconstruction of a LiCoO2 Cathode via FIB-SEM Tomography

Abstract Three-phase three-dimensional (3D) microstructural reconstructions of lithium-ion battery electrodes are critical input for 3D simulations of electrode lithiation/delithiation, which provide a detailed understanding of battery operation. In this report, 3D images of a LiCoO 2 electrode are achieved using focused ion beam-scanning electron microscopy (FIB-SEM), with clear contrast among the three phases: LiCoO 2 particles, carbonaceous phases (carbon and binder) and the electrolyte space. The good contrast was achieved by utilizing an improved FIB-SEM sample preparation method that combined infiltration of the electrolyte space with a low-viscosity silicone resin and triple ion-beam polishing. Morphological parameters quantified include phase volume fraction, surface area, feature size distribution, connectivity, and tortuosity. Electrolyte tortuosity was determined using two different geometric calculations that were in good agreement. The electrolyte tortuosity distribution versus position within the electrode was found to be highly inhomogeneous; this will lead to inhomogeneous electrode lithiation/delithiation at high C-rates that could potentially cause battery degradation.

Liu, Zhao (ORCID:0000000303702406)↗

Assessment of dynamic-screw-pinch-driven, current-scaled MagLIF target implosion performance using 3D magnetohydrodynamic simulations

Analytic studies and two-dimensional “clean” radiation-magnetohydrodynamic (rad-MHD) simulations employing dynamical similarity driver-target scaling prescriptions [Ruiz et al., Phys. Plasmas 30, 032708 (2023)] suggest that Magnetized Liner Inertial Fusion (MagLIF) target implosions can scale to > 10 MJ DT fusion yields when peak drive current is increased beyond 60 MA. We present results from three-dimensional (3D) rad-MHD simulations of similarity-scaled MagLIF target implosions at peak drive currents ranging from 15 to 40 MA. Simulations in this study suggest that magneto-Rayleigh–Taylor instability (MRTI) growth and feedthrough to the fuel region are more severe at higher drive current scales, which reduces the fusion yield compared to prior analytic and 2D clean simulation predictions. In contrast to standard MagLIF, simulations of current-scaled MagLIF target implosions driven by a dynamic screw pinch (DSP) demonstrate reduced MRTI feedthrough and greater fuel magnetization, resulting in improved thermonuclear performance and enhanced performance scaling with peak drive current. DSP drive enables additional scaling of the liner mass to increase liner radius but maintain implosion time, resulting in higher implosion velocities at the expense of increased susceptibility to MRTI. We present a current- and mass-scaled simulated DSP-MagLIF target implosion at the ∼ 40 MA peak current level that produces ignition scale performance, demonstrating a burn-averaged Lawson ignition parameter above unity and DT fusion yield above 1 MJ.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Perturbation Effects on a Supercritical C7H16/N2 Mixing Layer

A computational-simulation study has been presented of effects of perturbation wavelengths and initial Reynolds numbers on the transition to turbulence of a heptane/nitrogen mixing layer at supercritical pressure. The governing equations for the simulations were the same as those of related prior studies reported in NASA Tech Briefs. Two-dimensional (2D) simulations were performed with initially im posed span wise perturbations whereas three-dimensional (3D) simulations had both streamwise and spanwise initial perturbations. The 2D simulations were undertaken to ascertain whether perturbations having the shortest unstable wavelength obtained from a linear stability analysis for inviscid flow are unstable in viscous nonlinear flows. The goal of the 3D simulations was to ascertain whether perturbing the mixing layer at different wavelengths affects the transition to turbulence. It was found that transitions to turbulence can be obtained at different perturbation wavelengths, provided that they are longer than the shortest unstable wavelength as determined by 2D linear stability analysis for the inviscid case and that the initial Reynolds number is proportionally increased as the wavelength is decreased. The transitional states thus obtained display different dynamic and mixture characteristics, departing strongly from the behaviors of perfect gases and ideal mixtures.

Okongo'o, Nora↗

Optimising HEP Simulations on 3D Architecture: Primitive Gates for BT

In this report, the first attempt for an alternative approach for the simulation of the non-abelian group BT has been done. First, we analysed why SNAP and Displacement decomposition is not feasible for this problem with the current technology, and then we explored a new approach for the optimisation of the pulses. In particular, we studied how the expansion of the pulses in Chebyshev Polynomials could affect the optimisation process. Even if the study is not conclusive, we believe that it might be worth continuing to study this approach in the future, in order to be able to efficiently implement quantum circuits on computers.

97 MATHEMATICS AND COMPUTING↗

The simulation of 3D mass models in 2D digital mammography and breast tomosynthesis

Purpose: This work proposes a new method of building 3D breast mass models with different morphological shapes and describes the validation of the realism of their appearance after simulation into 2D digital mammograms and breast tomosynthesis images. Methods: Twenty-five contrast enhanced MRI breast lesions were collected and each mass was manually segmented in the three orthogonal views: sagittal, coronal, and transversal. The segmented models were combined, resampled to have isotropic voxel sizes, triangularly meshed, and scaled to different sizes. These masses were referred to as nonspiculated masses and were then used as nuclei onto which spicules were grown with an iterative branching algorithm forming a total of 30 spiculated masses. These 55 mass models were projected into 2D projection images to obtain mammograms after image processing and into tomographic sequences of projection images, which were then reconstructed to form 3D tomosynthesis datasets. The realism of the appearance of these mass models was assessed by five radiologists via receiver operating characteristic (ROC) analysis when compared to 54 real masses. All lesions were also given a breast imaging reporting and data system (BIRADS) score. The data sets of 2D mammography and tomosynthesis were read separately. The Kendall's coefficient of concordance was used for the interrater observer agreement assessment for the BIRADS scores per modality. Further paired analysis, using the Wilcoxon signed rank test, of the BIRADS assessment between 2D and tomosynthesis was separately performed for the real masses and for the simulated masses. Results: The area under the ROC curves, averaged over all observers, was 0.54 (95% confidence interval [0.50, 0.66]) for the 2D study, and 0.67 (95% confidence interval [0.55, 0.79]) for the tomosynthesis study. According to the BIRADS scores, the nonspiculated and the spiculated masses varied in their degrees of malignancy from normal (BIRADS 1) to highly suggestive for malignancy (BIRADS 5) indicating the required variety of shapes and margins of these models. The assessment of the BIRADS scores for all observers indicated good agreement based on Kendall's coefficient for both the 2D and the tomosynthesis evaluations. The paired analysis of the BIRADS scores between 2D and tomosynthesis for each observer revealed consistent behavior for the real and simulated masses. Conclusions: A database of 3D mass models, with variety of shapes and margins, was validated for the realism of their appearance for 2D digital mammography and for breast tomosynthesis. This database is suitable for use in future observer performance studies whether in virtual clinical trials or in patient images with simulated lesions.

60 APPLIED LIFE SCIENCES↗

Constraints on Decreases in Eta Carinae's Mass-loss from 3D Hydrodynamic Simulations of Its Binary Colliding Winds

Recent work suggests that the mass-loss rate of the primary star Eta-A in the massive colliding wind binary Eta Carinae dropped by a factor of 2-3 between 1999 and 2010. We present result from large- (+/- 1545 au) and small- (+/- 155 au) domain, 3D smoothed particle hydrodynamics (SPH) simulations of Eta Car's colliding winds for three Eta-A mass-loss rates ( (dot-M(sub Eta-A) = 2.4, 4.8 and 8.5 × 10(exp −4) M(solar)/ yr), investigating the effects on the dynamics of the binary wind-wind collision (WWC). These simulations include orbital motion, optically thin radiative cooling and radiative forces. We find that dot-M Eta-A greatly affects the time-dependent hydrodynamics at all spatial scales investigated. The simulations also show that the post-shock wind of the companion star Eta-B switches from the adiabatic to the radiative-cooling regime during periastron passage (Phi approx.= 0.985-1.02). This switchover starts later and ends earlier the lower the value of dot-M Eta-A and is caused by the encroachment of the wind of Eta-A into the acceleration zone of Eta-B's wind, plus radiative inhibition of Eta-B's wind by Eta-A. The SPH simulations together with 1D radiative transfer models of Eta-A's spectra reveal that a factor of 2 or more drop in dot-M EtaA should lead to substantial changes in numerous multiwavelength observables. Recent observations are not fully consistent with the model predictions, indicating that any drop in dot- M Eta-A was likely by a factor of approx. < 2 and occurred after 2004. We speculate that most of the recent observed changes in Eta Car are due to a small increase in the WWC opening angle that produces significant effects because our line of sight to the system lies close to the dense walls of the WWC zone. A modest decrease in dot-M Eta-A may be responsible, but changes in the wind/stellar parameter of Eta-B, while less likely, cannot yet be fully ruled out. We suggest observations during Eta-Car's next periastron in 2014 to further test for decreases in dot-M Eta-A. If dot-M Eta-A is declining and continues to do so, the 2014 X-ray minimum should be even shorter than that of 2009.

Eta Carinae↗

Packed Column Simulations

CO2 Capture CFD (C3FD) dataset contains STAR-CCM+ simulations of a CO2-capturing solvent flowing across packing structures in a column. This dataset contains 50 2D and 50 3D simulations, each of which spans 500 timesteps. The 2D and 3D simulation meshes have 150,073 and 3,129,815 nodes, respectively. Each node contains information about its physical location, liquid volume fraction, momentum, and node type.

20 FOSSIL-FUELED POWER PLANTS↗

3D PIC SIMULATIONS OF COLLISIONLESS SHOCKS AT LUNAR MAGNETIC ANOMALIES AND THEIR ROLE IN FORMING LUNAR SWIRLS

Investigation of the lunar crustal magnetic anomalies offers a comprehensive long-term data set of observations of small-scale magnetic fields and their interaction with the solar wind. In this paper a review of the observations of lunar mini-magnetospheres is compared quantifiably with theoretical kinetic-scale plasma physics and 3D particle-in-cell simulations. The aim of this paper is to provide a complete picture of all the aspects of the phenomena and to show how the observations from all the different and international missions interrelate. The analysis shows that the simulations are consistent with the formation of miniature (smaller than the ion Larmor orbit) collisionless shocks and miniature magnetospheric cavities, which has not been demonstrated previously. The simulations reproduce the finesse and form of the differential proton patterns that are believed to be responsible for the creation of both the “lunar swirls” and “dark lanes.” Using a mature plasma physics code like OSIRIS allows us, for the first time, to make a side-by-side comparison between model and space observations. This is shown for all of the key plasma parameters observed to date by spacecraft, including the spectral imaging data of the lunar swirls. The analysis of miniature magnetic structures offers insight into multi-scale mechanisms and kinetic-scale aspects of planetary magnetospheres.

79 ASTRONOMY AND ASTROPHYSICS↗

2D and 3D Numerical Simulations of Flux Cancellation

Cancellation of magnetic flux in the solar photosphere and chromosphere has been linked observationally and theoretically to a broad range of solar activity, from filament channel formation to CME initiation. Because this phenomenon is typically measured at only a single layer in the atmosphere, in the radial (line of sight) component of the magnetic field, the actual processes behind this observational signature are ambiguous. It is clear that reconnection is involved in some way, but the location of the reconnection sites and associated connectivity changes remain uncertain in most cases. We are using numerical modeling to demystify flux cancellation, beginning with the simplest possible configuration: a subphotospheric Lundquist flux tube surrounded by a potential field, immersed in a gravitationally stratified atmosphere, spanning many orders of magnitude in plasma beta. In this system, cancellation is driven slowly by a 2-cell circulation pattern imposed in the convection zone, such that the tops of the cells are located around the beta=1 level (i.e., the photosphere) and the flows converge and form a downdraft at the polarity inversion line; note however that no flow is imposed along the neutral line. We will present the results of 2D and 3D MHD-AMR simulations of flux cancellation, in which the flux at the photosphere begins in either an unsheared or sheared state. In all cases, a low-lying flux rope is formed by reconnection at the polarity inversion line within a few thousand seconds. The flux rope remains stable and does not rise, however, in contrast to models which do not include the presence of significant mass loading.

Karpen, Judith T.↗

20 and 3D Numerical Simulations of Flux Cancellation

Cancellation of magnetic flux in the solar photosphere and chromosphere has been linked observationally and theoretically to a broad range of solar activity, from filament channel formation to CME initiation. Because this phenomenon is typically measured at only a single layer in the atmosphere, in the radial (line of sight) component of the magnetic field, the actual processes behind this observational signature are ambiguous. It is clear that reconnection is involved in some way, but the location of the reconnection sites and associated connectivity changes remain uncertain in most cases. We are using numerical modeling to demystify flux cancellation, beginning with the simplest possible configuration: a subphotospheric Lundquist flux tube surrounded by a potential field, immersed in a gravitationally stratified atmosphere, spanning many orders of magnitude in plasma beta. In this system, cancellation is driven slowly by a 2-cell circulation pattern imposed in the convection zone, such that the tops of the cells are located around the beta= 1 level (Le., the photosphere) and the flows converge and form a downdraft at the polarity inversion line; note however that no flow is imposed along the neutral line. We will present the results of 2D and 3D MHD-AMR simulations of flux cancellation, in which the flux at the photosphere begins in either an unsheared or sheared state. In all cases, a lOW-lying flux rope is formed by reconnection at the polarity inversion line within a few thousand seconds. The flux rope remains stable and does not rise, however, in contrast to models which do not include the presence of significant mass loading.

Karpen, Judith T.↗

Simulated photoevaporative mass loss from hot jupiters in 3D

Ionizing stellar photons heat the upper regions of planetary atmospheres, driving atmospheric mass loss. Gas escaping from several hot, hydrogen-rich planets has been detected using UV and X-ray transmission spectroscopy. Because these planets are tidally locked, and thus asymmetrically irradiated, escaping gas is unlikely to be spherically symmetric. In this paper, we focus on the effects of asymmetric heating on local outflow structure. We use the Athena code for hydrodynamics to produce 3D simulations of hot Jupiter mass loss that jointly model wind launching and stellar heating via photoionization. Our fiducial planet is an inflated, hot Jupiter with radius R{sub p}=2.14R{sub Jup} and mass M{sub p}=0.53M{sub Jup}. We irradiate the initially neutral, atomic hydrogen atmosphere with 13.6 eV photons and compute the outflow’s ionization structure. There are clear asymmetries in the atmospheric outflow, including a neutral shadow on the planet’s nightside. Given an incident ionizing UV flux comparable to that of the Sun, we find a steady-state mass loss rate of ∼2×10{sup 10} g s{sup −1}. The total mass loss rate and the outflow substructure along the substellar ray show good agreement with earlier 1D models, for two different fluxes. Our 3D data cube can be used to generate the outflow’s extinction spectrum during transit. As a proof of concept, we find absorption of stellar Lyα at Doppler-shifted velocities of up to ±50 km s{sup −1}. Our work provides a starting point for further 3D models that can be used to predict observable signatures of hot Jupiter mass loss.

79 ASTRONOMY AND ASTROPHYSICS↗

On the Jet–Ejecta Interaction in 3D GRMHD Simulations of a Binary Neutron Star Merger Aftermath

Short γ-ray burst (sGRB) jets form in the aftermath of a neutron star merger, drill through disk winds and dynamical ejecta, and extend over four to five orders of magnitude in distance before breaking out of the ejecta. We present the first 3D general-relativistic magnetohydrodynamic sGRB simulations to span this enormous scale separation. They feature three possible outcomes: jet+cocoon, cocoon, and neither. Typical sGRB jets break out of the dynamical ejecta if (i) the bound ejecta's isotropic equivalent mass along the pole at the time of the BH formation is ≲10 -4 M ⊙ , setting a limit on the delay time between the merger and BH formation, otherwise, the jets perish inside the ejecta and leave the jet-inflated cocoon to power a low-luminosity sGRB; (ii) the postmerger remnant disk contains a strong large-scale vertical magnetic field, ≳1015 G; and (iii) if the jets are weak (≲10 50 erg), the ejecta's isotropic equivalent mass along the pole must be small (≲10 -2 M ⊙ ). Generally, the jet structure is shaped by the early interaction with disk winds rather than the dynamical ejecta. As long as our jets break out of the ejecta, they retain a significant magnetization (≲1), suggesting that magnetic reconnection is a fundamental property of sGRB emission. The angular structure of the outflow isotropic equivalent energy after breakout consistently features a flat core followed by a steep power-law distribution (slope ≳3), similar to hydrodynamic jets. In the cocoon-only outcome, the dynamical ejecta broadens the outflow angular distribution and flattens it (slope ~1.5).

Jets↗

Insights into the failure mode of the Chelyabinsk meteor from high-fidelity simulation

In 2013, an asteroid with a diameter of approximate 20 m broke up in the atmosphere above the Russian city of Chelyabinsk producing what is known as an airburst event. The event was recorded on video from multiple angles and a 500-kg fragment was recovered from Lake Chebarkul shortly thereafter. These aspects, coupled with the asteroid’s large size, distinguish the Chelyabinsk event as unique. In this study, we use the smoothed particle hydrodynamics method to examine the breakup mode of a Chelyabinsk-sized monolithic asteroid and probe whether a monolithic structure is consistent with observations from the Chelyabinsk event. We model the object as a homogeneous sphere with properties consistent with Chelyabinsk meteorites. We use planar-2D simulations to test the sensitivity of results to variations in the material model and to qualitatively inspect the cause of crack nucleation and fragmentation. We then compare results from a 3D simulation to observations from the event. Our 3D simulation predicts a burst height within 3 km of the observed peak luminosity suggesting the responsible asteroid may have been monolithic.

79 ASTRONOMY AND ASTROPHYSICS↗

Bridging the Bondi and Event Horizon Scales: 3D GRMHD Simulations Reveal X-shaped Radio Galaxy Morphology

X-shaped radio galaxies (XRGs) produce misaligned X-shaped jet pairs and make up ≲10% of radio galaxies. XRGs are thought to emerge in galaxies featuring a binary supermassive black hole (SMBH), SMBH merger, or large-scale ambient medium asymmetry. We demonstrate that XRG morphology can naturally form without such special, preexisting conditions. Our 3D general-relativistic magnetohydrodynamic (GRMHD) simulation for the first time follows magnetized rotating gas from outside the SMBH sphere of influence of radius RB to the SMBH of gravitational radius Rg at the largest scale separation, RB/Rg = 103, to date. Initially, our axisymmetric system of constant-density hot gas contains a weak vertical magnetic field and rotates in the equatorial plane of a rapidly spinning SMBH. We seed the gas with small-scale 2% level pressure perturbations. Infalling gas forms an accretion disk, and the SMBH launches relativistically magnetized collimated jets reaching well outside RB. Under the pressure of the infalling gas, the jets intermittently turn on and off, erratically wobble, and inflate pairs of cavities in different directions, resembling an X-shaped jet morphology. Synthetic X-ray images reveal multiple pairs of jet-powered shocks and cavities. Large-scale magnetic flux accumulates on the SMBH, becomes dynamically important, and leads to a magnetically arrested disk state. The SMBH accretes at 2% of the Bondi rate ($\dot{M}\simeq 2.4\times {10}^{-3}{M}_{\odot }\,{\mathrm{yr}}^{-1}$ for M87*) and launches twin jets at η = 150% efficiency. These jets are powerful enough (P jets ≃ 2 × 10 44 erg s -1 ) to escape along the SMBH spin axis and end the short-lived intermittent jet state, whose transient nature can account for the rarity of XRGs.

79 ASTRONOMY AND ASTROPHYSICS↗

Exploring Fundamentally Three-dimensional Phenomena in High-fidelity Simulations of Core-collapse Supernovae

The details of the physical mechanism that drives core-collapse supernovae (CCSNe) remain uncertain. While there is an emerging consensus on the qualitative outcome of detailed CCSN mechanism simulations in 2D, only recently have high-fidelity 3D simulations become possible. In this work, we present the results of an extensive set of 3D CCSN simulations using high-fidelity multidimensional neutrino transport, high-resolution hydrodynamics, and approximate general relativistic gravity. We employ a state-of-the-art 20 M ⊙ progenitor generated using Modules for Experiments in Stellar Astrophysics, and the SFHo equation of state. While none of our 3D CCSN simulations explode within ~500 ms after core bounce, we find that the presence of large-scale aspherical motion in the Si and O shells aid shock expansion and bring the models closer to the threshold of explosion. We also find some dependence on resolution and geometry (octant versus full 4π). As has been noted in other recent works, we find that the post-shock turbulence plays an important role in determining the overall dynamical evolution of our simulations. We find a strong standing accretion shock instability (SASI) that develops at late times. The SASI produces transient shock expansions, but these do not result in any explosions. We also report that for a subset of our simulations, we find conclusive evidence for the lepton-number emission self-sustained asymmetry, which until now has not been confirmed by independent simulation codes. Finally, both the progenitor asphericities and the SASI-induced transient shock expansion phases generate transient gravitational waves and neutrino signal modulations via perturbations of the protoneutron star by turbulent motions.

79 ASTRONOMY AND ASTROPHYSICS↗

Global 3D Braginskii simulations of the tokamak edge region of IWL discharges

A study of plasma turbulence and profile evolution in conditions of low (L-mode) and high (H-mode) confinement at the edge of an axisymmetric, nested circular flux-surface approximation to an inner wall limited (IWL) Alcator C-Mod discharge is presented, using numerical simulations with the global drift-ballooning (GDB) code. Further, GDB solves drift-reduced Braginskii two-fluid equations for electromagnetic low-frequency turbulence in a 3D annulus centered on the last closed flux-surface (LCFS). Three simulations that investigate the conditions of a reference L-mode, a high density, and a high temperature (or H-mode-like) shot were performed using realistic parameters. L-mode transport appears to be largely driven by drift resistive ballooning structures. Its pressure profile exhibits a near-SOL breakpoint that Mirror Langmuir Probes (MLP) detect in C-Mod. The high density simulation sees an increase in the size of convective cells and enhanced turbulent transport, while H-mode conditions develop improved confinement, balanced $E$ x $B$ and ion diamagnetic drifts in the closed-flux region, and spontaneous generation of temperature pedestal with a density pedestal remaining absent. A statistical characterization of the turbulence both in the SOL and the closed-flux region is presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Unstructured grid methods for the simulation of 3D transient flows

A description of the research work undertaken under NASA Research Grant NAGW-2962 has been given. Basic algorithmic development work, undertaken for the simulation of steady three dimensional inviscid flow, has been used as the basis for the construction of a procedure for the simulation of truly transient flows in three dimensions. To produce a viable procedure for implementation on the current generation of computers, moving boundary components are simulated by fixed boundaries plus a suitably modified boundary condition. Computational efficiency is increased by the use of an implicit time stepping scheme in which the equation system is solved by explicit multistage time stepping with multigrid acceleration. The viability of the proposed approach has been demonstrated by considering the application of the procedure to simulation of a transonic flow over an oscillating ONERA M6 wing.

Morgan, K.↗