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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

2D Magnetohydrodynamic Simulations of the Electrothermal Instability in Metallic Liners

The Virginia Tech (VT) Plasma Dynamics Laboratory Computational (PDCL) and Lawrence Livermore National Laboratory (LLNL) are performing two dimensional (2D) simulations of the electrothermal instability (ETI) using the LLNL multi-physics code Ares. Ares is a multi-physics arbitrary–Lagrangian-Eulerian (ALE) code developed by LLNL and is of particular use in studying magnetohydrodynamic (MHD) instabilities like the ETI due to its resistive MHD, magnetic diffusion, and radiative-hydrodynamics packages. Among its capabilities, it has the ability to model material strength, perform adaptive mesh refinement (AMR), and incorporate a wide variety of equations of state models and conductivity models. The 2D Ares simulation model created by VT-LLNL for studying the development and growth of the electrothermal instability has been configured with initial conditions based on the Mykonos Electrothermal Instability II (METI-II) experiments described by this grant and conducted by team members at the University of Nevada (UNR), the University of New Mexico (UNM), and Sandia National Laboratories. Previously, preliminary 2D Ares simulations of the ETI had been run to approximately 80ns. The rods in these simulations were initiated with sinusoidal perturbations at a similar order of magnitude to those measured on the aluminum rods used for the Mykonos experiment. This model has been improved by increasing the spatial resolution of the simulations and running the simulations further in time. In addition to the simulation run-times extending, the preliminary sinusoidal perturbation has been replaced with a perturbation derived from amplitude measurements by the experimental team, thereby correlating the simulation inputs better to the experimental runs. These new runs are capable of reaching 120ns of simulated time for the uncoated cases and to 200ns the 41 μm coated cases.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Using light and X-ray scattering to untangle complex neuronal orientations and validate diffusion MRI

Disentangling human brain connectivity requires an accurate description of nerve fiber trajectories, unveiled via detailed mapping of axonal orientations. However, this is challenging because axons can cross one another on a micrometer scale. Diffusion magnetic resonance imaging (dMRI) can be used to infer axonal connectivity because it is sensitive to axonal alignment, but it has limited spatial resolution and specificity. Scattered light imaging (SLI) and small-angle X-ray scattering (SAXS) reveal axonal orientations with microscopic resolution and high specificity, respectively. Here, we apply both scattering techniques on the same samples and cross-validate them, laying the groundwork for ground-truth axonal orientation imaging and validating dMRI. We evaluate brain regions that include unidirectional and crossing fibers in human and vervet monkey brain sections. SLI and SAXS quantitatively agree regarding in-plane fiber orientations including crossings, while dMRI agrees in the majority of voxels with small discrepancies. We further use SAXS and dMRI to confirm theoretical predictions regarding SLI determination of through-plane fiber orientations. Scattered light and X-ray imaging can provide quantitative micrometer 3D fiber orientations with high resolution and specificity, facilitating detailed investigations of complex fiber architecture in the animal and human brain.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

External Magnetic Field Suppression of Carbon Diffusion in Iron

External magnetic fields reduce diffusion of carbon in BCC iron, but the physical mechanism is not understood. Using DFT calculations with magnetic moments sampled from a Heisenberg model, we calculate diffusivities of carbon in iron at high temperatures and with field. Our model reproduces the measured suppression of diffusivity from field. Here, we find that increasing magnetic disorder flattens the electron density of states compared with the ferromagnetic case, which distorts the octahedral cages around carbon, lowering the activation barrier to diffusion; an applied field reverses these trends.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A conservative Galerkin solver for the quasilinear diffusion model in magnetized plasmas

We propose a conservative Galerkin scheme for the quasilinear model in three-dimensional momentum space and three-dimensional spectral space, with cylindrical symmetry. We construct an unconditionally conservative weak form and use a discretization that preserves conservation properties independent of the wave emission probability. The discrete operators, combined with a consistent quadrature rule, preserve all the conservation laws rigorously. The proposed scheme is quite general: it works for both relativistic and non-relativistic systems, for both magnetized and unmagnetized plasmas, and even for problems with time-dependent dispersion relations. We represent the particle distribution by continuous basis functions and use discontinuous basis functions for the wave spectral energy density, which enables the application of a positivity-preserving technique. We adopt the marching simplex algorithm, designed initially for computer graphics, for numerical integration on the resonance manifold. Furthermore, the numerical examples with a bump-on-tail initial configuration show how the unstable waves produce strong momentum space diffusion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Properties of Lower Hybrid Drift Waves and Energy Transfer Near and Inside the Magnetic Reconnection Electron Diffusion Regions

Here, we investigate properties of lower hybrid drift waves (LHDWs) near and inside the electron diffusion regions in 17 magnetopause and 9 magnetotail reconnection events using Magnetospheric MultiScale (MMS) mission observations. Our analysis show that LHDW type depend on the electron beta, as electron beta increases LHDWs become more electromagnetic in nature. The energy transfer from electromagnetic fields to particles is higher in electrostatic LHDWs and it is largely in parallel direction with respect to the local magnetic field. Linear dispersion analysis shows that electrostatic LHDWs are perpendicular propagating while electromagnetic waves propagate in oblique directions and the normalized wavenumber of all LHDW types falls within 0.5–0.8 range. A simple estimate on the LHDW nonlinear saturation suggests a possibly important roles played by these waves in supporting the reconnection electric field.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

A provably stable numerical method for the anisotropic diffusion equation in confined magnetic fields

We present a novel numerical method for solving the anisotropic diffusion equation in magnetic fields confined to a periodic box which is accurate and provably stable. We derive energy estimates of the solution of the continuous initial boundary value problem. A discrete formulation is presented using operator splitting in time with the summation by parts finite difference approximation of spatial derivatives for the perpendicular diffusion operator. Weak penalty procedures are derived for implementing both boundary conditions and parallel diffusion operator obtained by field line tracing. We prove that the fully-discrete approximation is unconditionally stable. Discrete energy estimates are shown to match the continuous energy estimate given the correct choice of penalty parameters. A nonlinear penalty parameter is shown to provide an effective method for tuning the parallel diffusion penalty and significantly minimises rounding errors. Several numerical experiments, using manufactured solutions, the “NIMROD benchmark” problem and a single island problem, are presented to verify numerical accuracy, convergence, and asymptotic preserving properties of the method. Finally, we present a magnetic field with chaotic regions and islands and show the contours of the anisotropic diffusion equation reproduce key features in the field.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Effect of alloying with Sc, Nb and Zr on reduction-diffusion synthesis of magnetically hard Sm(Fe,Co,Ti) 12 -based monocrystalline powders

Powders of Sm(Fe,Co) 11.2 Ti 0.8 alloys modified with Sc, Nb and Zr, as well as with additional Ti were prepared by reducing mechanically activated raw oxides with Ca metal in the furnace preheated to 990–1250 °C. Expansion of the crystal lattice upon introduction of Nb or additional Ti implies that atoms of these elements replace the smaller Fe atoms in the tetragonal ThMn 12 -type structure. On the other hand, contraction of the lattice upon introduction of Sc or Zr was smaller than what was expected for replacement of the Sm atoms, which suggests that the Sc and Zr atoms replace both the Sm and Fe atoms. Washing away the reduction byproducts expands the crystal lattice of the 1:12 particles and increases their coercivity. The lattice expansion associated with the washing is believed to be caused by interstitial H atoms; more research, however, is needed to establish the mechanism(s) of the washing effect on the coercivity. The earlier reported development of a high coercivity in zirconium-modified monocrystalline particles achieved by increasing the reduction annealing temperature to ≈1200 °C was similarly characteristic of the particles modified with Sc (the coercivity reaches 11.5 kOe) and Nb (8.1 kOe), but not for the particles prepared with additional Ti where the maximum coercivity of 8.3 kOe develops for a lower annealing temperature. Furthermore, it is concluded that Sc, Nb and Zr modify the high-temperature phase equilibria of the Sm(Fe,Co) 11.2 Ti 0.8 alloys allowing for an effective high-temperature processing, whereas the alloy coercivity increases with the synthesis temperature through a different, still unknown mechanism which may involve suppression of the defects specific to the 1:12 crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Toward Interpreting the IBEX Ribbon with Mirror Diffusion in Interstellar Turbulent Magnetic Fields

We investigate the role of the magnetohydrodynamic (MHD) turbulence measured by Voyager in the very local interstellar medium (VLISM) in modeling the Interstellar Boundary Explorer ribbon. We demonstrate that the mirroring by compressible modes of MHD turbulence dominates over that by the mean magnetic field. Based on the new mirror diffusion mechanism identified by Lazarian & Xu for particles with large pitch angles in MHD turbulence, we find that the mirror diffusion can both confine pickup ions and preserve their initial pitch angles, and thus it accounts for the enhanced intensity of energetic neutral atoms that return to the heliosphere. The ribbon width is determined by both the range of pitch angles for effective turbulent mirroring and the field line wandering induced by Alfvénic modes. It in turn provides a constraint on the amplitude of magnetic fluctuations of fast modes. The field line wandering also affects the coherence of the ribbon structure across the sky. By extrapolating the magnetic energy spectrum measured by Voyager, we find that the injection scale of the turbulence in the VLISM must be less than ~500 au for the ribbon structure to be coherent.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Time-Resolved Beam Position Measurements for the Scorpius Multipulse Linear Induction Accelerator

Beam position monitors (BPMs) provide time-resolved measurements of the current and centroid position of high-current electron beams in linear induction accelerators (LIAs). One of the types of detectors used in BPMs is the B-dot loop, which generates a signal from the EMF due to the time varying magnetic flux through the loop. If some of the boundaries of the loop are composed of thick metal walls with finite conductivity, the resulting signal must be corrected for the magnetic field diffusion into the metal. The theoretically predicted flux due to diffusion is in remarkable agreement with experimental measurements. Although accurate BPM measurements of beam current require correction of magnetic field diffusion, accurate measurement of beam position requires no correction. In this note, we present a theoretical derivation and the experimental validation of this result.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Effect of Magnetic Islands on Neoclassical Heat Diffusivity in a Global Tokamak Simulation

Resonant magnetic perturbations (RMPs) alter magnetic field topology via island formation and can modify core transport in toroidal fusion devices. Using the global gyrokinetic particle‐in‐cell code XGC‐S, originally developed for stellarator geometries, we quantify how island topology affects neoclassical heat transport in a circular tokamak with ($m,n$) = (5,2) RMP‐induced islands. Electron radial heat diffusivity exhibits a two‐peak structure with a dominant enhancement near the O/X‐point region and a secondary peak at the outer island boundary, whereas ion transport remains close to the neoclassical prediction. The observed electron diffusivity is strongly enhanced over the neoclassical baseline but remains well below the Rechester–Rosenbluth estimate, consistent with the non‐ergodic character of the island topology. The density dependence of diffusivity is weaker inside the islands than outside, indicating the presence of topology‐driven transport channels that do not depend strongly on collisionality. Two‐dimensional heat flux maps reveal an up–down antisymmetric structure at the island separatrices consistent with magnetic gradient and curvature drift effects, in contrast to the symmetric temperature flattening inside the islands. These results identify topology‐dependent avenues for electron heat transport in RMP‐perturbed cores and suggest regimes in which island geometry, rather than collisions alone, governs radial transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

A comprehensive first-principles study of the effects of the exchange-correlation functional and magnetism on defect and diffusion properties of the CoCrNi medium-entropy alloy

The present work is a novel, systematic study of the effect of density functional theory input parameters on the vacancy formation energy (VFE), migration barrier for diffusion, and electronic structure for each element in the CoCrNi medium-entropy alloy (MEA). In particular, the novelties include: (1) calculating the aforementioned properties of Co, Cr, or Ni, in the CoCrNi MEA using magnetic and non-magnetic states, and two versions of the generalized gradient approximation: Perdew, Burke, and Ernzerhof (PBE) and the PBE version for solids (PBEsol), and (2) a detailed comparison of 0 K activation energy to experimental creep activation energies. First-principles calculations at 0 K are performed using the Vienna ab-initio simulation package. Special quasirandom structures (SQS) and Widom-type substitution are employed. For each element, Co, Cr, or Ni, non-magnetic calculations result in a higher VFE and larger range of calculated values for the configurations studied. The averaged migration barrier is the highest for Co in the CoCrNi for three of four sets of calculation parameters in the configurations studied. Finally, the results indicate that the average 0 K activation energy for diffusion makes up 70–80% of the experimental creep activation energy, depending on the exchange-correlation functional employed.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Stimulated excitation of thermal diffusion waves in a magnetized plasma pressure filament

Results are presented from basic heat transport experiments using a magnetized electron temperature filament that behaves as a thermal resonator. Using a small cathode source, low energy electrons are injected along the magnetic field into the afterglow of a pre-existing plasma forming a hot electron filament embedded in a colder plasma. A series of low amplitude, sinusoidal perturbations are added to the cathode discharge bias that creates an oscillating heat source capable of driving large amplitude electron temperature oscillations. Langmuir probes are used to measure the amplitude and phase of the thermal wave field over a wide range of driver frequencies. The results are used to verify the excitation of thermal waves, confirm the presence of thermal resonances, and demonstrate the diagnostic potential of thermal waves through measurement of the parallel thermal diffusivity.

Karbashewski, S. (ORCID:000000034988492X)↗
DOE OSTI2023

Improved melt model for power flow

Accelerators that drive z-pinch experiments transport current densities in excess of 1 MA/cm 2 in order to melt or ionize the target and implode it on axis. These high current densities stress the transmission lines upstream from the target, where rapid electrode heating causes plasma formation, melt, and possibly vaporization. These plasmas negatively impact accelerator efficiency by diverting some portion of the current away from the target, referred to as “current loss”. Simulations that are able to reproduce this behavior may be applied to improving the efficiency of existing accelerators and to designing systems operating at ever higher current densities. The relativistic particle-in-cell code CHICAGO ® is the primary code for modeling power flow on Sandia National Laboratories’ Z accelerator. We report here on new algorithms that incorporate vaporization and melt into the standard power-flow simulation framework. Taking a hybrid approach, the CHICAGO® kinetic/multi-fluid treatment has been expanded to include vaporization while the quasi-neutral equation-of-motion has been updated for melt at high current-densities. For vaporization, a new one-dimensional substrate model provides a more accurate calculation of electrode thermal, mass, and magnetic field diffusion as well as a means of emitting absorbed contaminants and vaporized metal ions. A quasi-fluid model has been implemented expressly to mimic the motion of imploding liners for accurate inductance histories. For melt, a multi-ion Hall-MHD option has been implemented and benchmarked against Alegra MHD. This new model is described with sufficient detail to reproduce these algorithms in any hybrid kinetic code. Physics results from the new code are also presented. A CHICAGO ® Hall-MHD simulation of a radial transmission line demonstrates that Hall physics, not included in Alegra, has no significant impact on the diffusion of electrode material. When surface contaminant desorption is mocked in as a hydrogen surface plasma, both the surface and bulk-material plasmas largely compress under the influence of the j × B force. Similar results are seen in Alegra, which also shows magnetic and material diffusion scaling with peak current. Test vaporization simulations using MagLIF and a power-flow experimental geometry show Fe + ions diffuse only a few hundred µm from the electrodes, so present models of Z power flow remain valid.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Auxiliary field diffusion Monte Carlo calculations of magnetic moments of light nuclei with chiral effective field theory interactions

We calculate the magnetic moments of light nuclei $( A < 20 )$ using the auxiliary field diffusion Monte Carlo method and local two- and three-nucleon forces with electromagnetic currents from chiral effective field theory. For all nuclei under consideration, we also calculate the ground-state energies and charge radii. We generally find a good agreement with experimental values for all of these observables. For the electromagnetic currents, we explore the impact of employing two different power counting schemes, and study theoretical uncertainties stemming from the truncation of the chiral expansion order by order for select nuclei within these two approaches. In conclusion, we find that it is crucial to employ consistent power counting schemes for interactions and currents to achieve a systematic order-by-order convergence.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Superior discretizations and AMG solvers for extremely anisotropic diffusion via hyperbolic operators [Slides]

Diffusion in magnetic confinement fusion is extremely anisotropic in the direction of field lines. Rewrote diffusion system based on directional gradients, apply discretization and solver techniques developed for advection. Orders of magnitude decrease in error and solve wallclock time vs. traditional methods. The next steps include: (1) incorporate into larger MHD simulations, (2) better solvers for closed field lines or mixed regimes, and (3) possibly other extremely anisotropic equations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Diffusion Quantum Monte Carlo Benchmarking of Magnetic Moments in MnBi 2 Te 4

The intrinsically antiferromagnetic topological insulator, MnBi 2 Te 4 (MBT), has garnered significant attention recently due to its potential to host numerous exotic topological quantum states. Unfortunately, their consistent realization has been hindered by intrinsic antisite defects among the Mn and Bi sublattices. In this work, we establish Mn magnetization of pristine MBT through high level diffusion Monte Carlo calculations, which can serve as a precise starting point for various models to estimate antisite defect concentrations in actual MBT samples. The benchmark quality of DMC calculations is further identified from out model estimating antisite defect concentrations, which combines the benchmarked Mn magnetization with data from magnetic susceptibility and intermediate field magnetization measurements. This reproduces well Bi Mn and Mn Bi concentrations measured in the experiments. Here, we anticipate these theoretically based magnetic purity measures may be used as minimization targets in cycles of refinement to synthesize MBT with low antisite defect concentrations and more reproducible topological properties.

Defects↗
DOE OSTI2025

Flux-Assisted Boron Chalcogen Mixture (BCM) Method for Synthesizing Mixed Chalcogenide Semiconductors (AkRE 2 Si 2 Se x S 8– x and CaRE 2 Si 2 Se 8 ) ( Ak = Ca and Sr; RE = La, Ce, Pr, Nd, and Sm): Investigation of Their Magnetic and Optical Properties

We report a detailed structural analysis of a series of ten quaternary rare-earth-containing seleno-thiosilicates AkRE 2 Si 2 Se x S 8-x and selenosilicates, CaRE 2 Si 2 Se 8 (Ak = Ca and Sr; RE = La, Ce, Pr, Nd, and Sm). Single crystals were obtained by using the flux-assisted boron chalcogen mixture (BCM) method and single crystal X-ray diffraction was used to determine their structures. All members of the AkRE 2 Si 2 Se x S 8-x and CaRE 2 Si 2 Se 8 series crystallize in the space group R$\bar{3}$c (space group number 167) of the trigonal crystal system. The single-crystal X-ray diffraction analysis revealed a strong preference for Se/S atoms to occupy one vs. the other of the two available sites. Polycrystalline samples were used for magnetic susceptibility and UV–visible diffuse reflectance measurements. Magnetic measurements show that CaCe₂Si₂Se₁.₇₃S₆.₂₇ and CaNd₂Si₂Se₂.₅S₅.₅ are paramagnetic with negative Weiss constants (θ = –60.1 and –26.2). Diffuse reflectance analysis gives optical band gaps of 2.7(1) eV (CaLa₂Si₂Se₂.₃₈S₅.₆₂), 2.2(1) eV (CaCe₂Si₂Se₁.₇₃S₆.₂₇), 2.5(1) eV (CaNd₂Si₂Se₂.₅S₅.₅), and 2.0(1) eV (CaCe₂Si₂Se₈), consistent with density functional theory calculations. By partially or fully replacing S sites with Se it was possible to achieve band gap tuning. Photoluminescence behavior was also investigated for CaCe 2 Si 2 Se 1.73 S 6.27 via irradiation with 375 nm ultraviolet light.

BCM method↗