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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Runaway electron transport in stochastic toroidal magnetic fields

Here, we study the transport and confinement properties of runaway electrons (RE) in the presence of magnetic fields with perturbations producing different levels of stochasticity. We use Kinetic Orbit Runaway Electron Code (KORC) [Carbajal et al. , Phys. Plasmas 24, 042512 (2017) and del-Castillo-Negrete et al. , Phys. Plasmas 25, 056104 (2018)] for simulating the full-orbit (FO) and guiding-center (GC) dynamics of RE in perturbed magnetic fields that exhibit magnetic islands. We extend previous works on this problem [Wingen et al. , Nucl. Fusion 46, 941 (2006); Izzo et al. , Nucl. Fusion 51, 063032 (2011); Papp et al. , Nucl. Fusion 51, 043004 (2011); V. Izzo and P. Parks, Phys. Plasmas 24, 060705 (2017); and Sommariva et al. , Nucl. Fusion 58, 016043 (2018)] by studying in detail full-orbit effects on the RE dynamics. We quantify FO effects on RE transport by performing one-to-one comparisons between FO and GC simulations. It is found that, for the magnetic field configurations considered, GC simulations predict twice the RE losses of FO simulations for 1 MeV and four times the RE losses of FO simulations for 25 MeV. Similarly, we show how different GC and FO dynamics of RE moving around magnetic islands can be, especially in the scenario where the RE Larmor radius is on the order of the size of the magnetic island. We also study the role of rotation of the magnetic islands on RE confinement, and we find that low-frequency toroidal rotation has no observable effect on RE transport in the cases considered. These results shed some light into the potential of avoidance or mitigation mechanisms based on magnetic perturbations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Probing topological phases in a perturbed Kane-Mele model via RKKY interaction: Application to monolayer jacutingaite Pt 2 ⁢HgSe 3

Quantum spin Hall insulators (QSHIs) leverage strong spin-orbit coupling (SOC) for efficient spin manipulation, making them promising for spintronics. Here, in this study, we investigate the noncollinear Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction between two magnetic impurities in a perturbed Kane-Mele model with strong SOC, relevant to monolayer jacutingaite Pt 2 ⁢HgSe 3 as a prominent QSHI. Following the previous studies that mainly focused on the model and its general applications, we provide a systematic examination of the effects of various perturbations and strong spin-orbit hybridizations, which drive phase transitions that have not been extensively explored before. By incorporating these perturbations into the model and accurately accounting for spin-orbit hybridizations through spin-space Green's functions and the RKKY interactions, we uncover distinct, relative (rather than absolute) signatures of different phase transitions. These phase transitions are induced by both static and dynamic perturbations on the magnetic impurities. Notably, we identify additional phases emerging from the interplay with the magnetic substrate. All these influence the switching between ferromagnetic and antiferromagnetic, as well as clockwise and counterclockwise magnetic interactions. Our results provide a practical way to track topological phases through magnetic properties, offering new insights into phase control and spin manipulation in QSHIs.

Kane-Mele model↗
DOE OSTI2024

Real-time chiral dynamics at finite temperature from quantum simulation

In this study, we explore the real-time dynamics of the chiral magnetic effect (CME) at a finite temperature in the (1+1)-dimensional QED, the massive Schwinger model. By introducing a chiral chemical potential μ 5 through a quench process, we drive the system out of equilibrium and analyze the induced vector currents and their evolution over time. The Hamiltonian is modified to include the time-dependent chiral chemical potential, thus allowing the investigation of the CME within a quantum computing framework. We employ the quantum imaginary time evolution (QITE) algorithm to study the thermal states, and utilize the Suzuki-Trotter decomposition for the real-time evolution. This study provides insights into the quantum simulation capabilities for modeling the CME and offers a pathway for studying chiral dynamics in low-dimensional quantum field theories.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Distinct effect of Kondo physics on crystal field splitting in electron and spin spectroscopies

Magnetic anisotropy is a key feature of rare earth materials from permanent magnets to heavy fermions. Here we explore the complex interplay of Kondo physics and anisotropy, and their effect on different experimental probes of magnetic anisotropy in a minimal 𝐽=3/2 Anderson impurity model using the numerical renormalization group. While anisotropy suppresses Kondo screening, virtual valence fluctuations enhance the anisotropy. We find distinct renormalization of the magnetic anisotropy measured via dynamical spin response (inelastic neutron scattering) versus electronic excitations in the impurity spectral function (resonant inelastic x-ray and scanning tunneling spectroscopy). The two measurement types have different responses and dependencies on the temperature and Kondo scales.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Controllable Reset Behavior in Domain Wall–Magnetic Tunnel Junction Artificial Neurons for Task-Adaptable Computation

Neuromorphic computing with spintronic devices has been of interest due to the limitations of CMOS-driven von Neumann computing. Domain wall–magnetic tunnel junction (DW-MTJ) devices have been shown to be able to intrinsically capture biological neuron behavior. Edgy-relaxed behavior, where a frequently firing neuron experiences a lower action potential threshold, may provide additional artificial neuronal functionality when executing repeated tasks. In this letter, we demonstrate that this behavior can be implemented in DW-MTJ artificial neurons via three alternative mechanisms: shape anisotropy, magnetic field, and current-driven soft reset. Using micromagnetics and analytical device modeling to classify the Optdigits handwritten digit dataset, we show that edgy-relaxed behavior improves both classification accuracy and classification rate for ordered datasets while sacrificing little to no accuracy for a randomized dataset. This letter establishes methods by which artificial spintronic neurons can be flexibly adapted to datasets.

42 ENGINEERING↗
DOE OSTI2024

Thermally frustrated phase transition at high pressure in B 2-ordered FeV

X-ray diffraction measurements of equiatomic B2-ordered FeV were performed in a diamond-anvil cell at room temperature at several pressure points up to 80 GPa that showed the cubic phase to be stable with no indication of structural phase transitions. Density functional theory at 0 K predicts Fermi surface nesting, an electronic topological transition, and a phonon dynamical instability within the experimentally investigated pressure range. Nevertheless, the instability is absent in phonon dispersion curves extracted from ab initio molecular dynamics simulations below the critical volume at temperatures as low as 10 K, indicating that thermal atomic displacements can frustrate the phase transition by renormalizing the phonon dispersion curves. Ferrimagnetism is critical for the stability of the cubic phase at low temperature, but thermal atomic displacements are enough to support the structure at and above the Néel temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Magnetic-field generation and its effect on ablative Rayleigh–Taylor instability in diffusive ablation fronts

The effects of self-generated magnetic fields on the ablative Rayleigh–Taylor (RT) instability are investigated in the linear regime. The main governing parameters are the Froude number (Fr), which stands for the ratio between ablative convection and acceleration of the target, and the Mach number at the ablation front (Ma), assumed to be small (isobaricity). During the development of the RT instability, magnetic fields are generated due to misalignment between pressure and density gradients (Biermann-battery effect). They accumulate at the section of the ablation front where the Nernst and the plasma velocities cancel each other. The magnetic field modifies the dynamics of the instability through the Righi–Leduc term, which acts as a heat source in the energy equation. It is found that the B fields affect perturbations with short wavelengths up to the most unstable wave in the spectrum. Here, the B field plays a destabilizing role for moderate Froude numbers and becomes stabilizing for large Froude numbers. For plastic ablators, the Fr threshold is found to be Fr = 5.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Generalized fractional approach to solving partial differential equations with arbitrary dispersion relations

The dynamics of physical systems are typically modeled by partial differential equations (PDEs). Because of the complexity in physical systems, PDE models rely on approximations or limiting cases. To model the full complexity of physical systems, it is necessary to use multiscale approaches where appropriate models are used at each level. Alternatively, complexity can be directly tackled by fractional integrodifferential equations that must be derived for each system. Here, we argue that complexity can be restored in PDEs by describing them from a fractional calculus perspective. Rather than deriving a fractional integrodifferential equation, we reinterpret the dispersion relation of the system by use of the Riesz definition, which contains the required information relating the energy and momentum space of the system and thus fully describes their dynamics. The approach is demonstrated by two examples: the Landau–Lifshitz equation in a 1D ferromagnetic chain and a modified KdV equation supporting surface gravity waves or Euler dispersion. The presented approach is applicable to fluids, soft matter, and solid-state matter and can be readily generalized to higher dimensions and more complex systems. While numerical calculations are needed to determine the fractional operator, the approach is analytical and can be utilized to determine analytical solutions and investigate nonlinear problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Magnetic Signatures of Radiation-Driven Double Ablation Fronts

In experiments performed with the OMEGA EP laser system, magnetic field generation in double ablation fronts was observed. Proton radiography measured the strength, spatial profile, and temporal dynamics of self-generated magnetic fields as the target material was varied between plastic (CH), aluminum, copper, and gold. Two distinct regions of magnetic field are generated in mid-Z targets -- one produced by gradients from electron thermal transport and the second from radiation-driven gradients. Extended magnetohydrodynamic simulations including radiation transport reproduced key aspects of the experiment, including field generation and double ablation front formation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Quantum Sensing of Electron Transfer Pathways in Natural Photosynthesis Using Time-Resolved High-Field Electron Paramagnetic Resonance/Electron–Nuclear Double Resonance Spectroscopy

Photosynthetic integral membrane reaction center (RC) proteins capture and convert sunlight into chemical energy via efficient charge separation achieved through a series of rapid, photoinitiated electron transfer steps. These fast electron transfers create an entangled spin qubit (radical) pair that contains detailed information about the weak magnetic interactions, structure, and dynamics of localized protein environments involved in charge separation events. In this work, we investigate how these entangled electron spin qubits interact with nuclear spins of the protein environment using the high spectral resolution of 130 GHz electron paramagnetic resonance (EPR) and electron-nuclear double resonance (ENDOR). Spectroscopic interrogation enabled the observation and probing of protons located in the electron transfer pathway between the membrane-spanning electron pair P + Q A - (where P + is the primary donor, a special pair of bacteriochlorophylls, and Q A is the primary quinone acceptor) in the bacterial RC. Spectroscopic analysis reveals hydrogen-bonding interactions involved in regulating the route that light-induced electrons travel through the RC protein during charge separation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Spin dynamics in the skyrmion-host lacunar spinel GaV 4 S 8

Here in the lacunar spinel GaV 4 S 8 , the interplay of spin, charge, and orbital degrees of freedom produces a rich phase diagram that includes an unusual Néel-type skyrmion phase composed of molecular spins. To provide insight into the interactions underlying this complex phase diagram, we study the spin excitations in GaV 4 S 8 through inelastic neutron scattering measurements on polycrystalline and single crystal samples. Using linear spin wave theory, we describe the spin wave excitations using a model where V 4 clusters decorate an fcc lattice. The effective cluster model includes a ferromagnetic interaction and a weaker antisymmetric Dzyaloshinskii-Moriya interaction between the neighboring molecular spins. Our work clarifies the spin interactions in GaV 4 S 8 and supports the picture of interacting molecular clusters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Electron kinetics in a high- Z plasmoid

The problem of the electron dynamics on a closed magnetic field line passing through a high-Z plasmoid is considered. The electron kinetic equation is integrated over bounce motion and pitch angle, reducing the independent variables to a single adiabatic invariant plus time. Integration of the full Landau self-collision operator is carried out exactly, resulting in a nonlinear integro-differential operator in the new invariant. Conservation laws and the H theorem of the integrated self-collision operator are proven. Numerical solutions of the integrated kinetic equation are obtained with a self-consistent quasineutral electric potential, given the initial condition of a cold plasmoid immersed in a hot ambient plasma. The fact that cold electrons are deeply trapped in a potential with a parabolic peak leads to exactly 3/4 the usual rate of collisional heating by the ambient plasma, independent of any other parameters.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

NMR relaxometry characterization of water adsorption in corn stover anatomical fractions

Nuclear magnetic resonance (NMR) relaxometry is applied to provide direct measurement of water adsorption in anatomical fractions of corn stover. NMR transverse T 2 relaxation time distribution measurements indicate multiple water populations, which vary with anatomical fraction and water adsorption. Measured T 2 data are used to calculate thermodynamic properties of Brunauer-Emmet-Teller adsorption theory using a model to estimate mono and bilayer relaxation. T 2 data are used directly to determine rotational diffusion correlation times indicating adsorption interaction strength. T 1 -T 2 longitudinal-transverse relaxation time correlation measurements quantify differences in the molecular level structural order of the adsorbate surface water as a function of water activity, i.e. relative humidity or water vapor partial pressure. The T 1 /T 2 ratio provides a measure of the surface energy related to the adsorption strength and surface diffusive mobility of the water adsorbate and differentiates the anatomical fractions. Furthermore, the results indicate that direct measurement of NMR relaxation times can be used to characterize corn stover biomass water adsorption, data relevant to processing and handling considerations.

09 BIOMASS FUELS↗
DOE OSTI2022

A resistive MHD model and simulation on plasma flow evolution in the presence of resonant magnetic perturbation in a tokamak

Nonaxisymmetric magnetic fields such as the intrinsic error field and the externally applied resonant magnetic perturbation (RMP) in a tokamak are known to influence the plasma momentum transport and flow evolution through plasma response, which itself strongly depends on the plasma flow as well. The nonlinear interaction between plasma response and flow has been previously modeled in the conventional error field theory with the “no-slip” condition, which has been recently extended to allow the “free-slip” condition. In this work, we further target this specific process and numerically simulate the nonlinear plasma response and flow evolution in the presence of a single-helicity RMP in a circular-shaped model tokamak configuration, based on the full resistive MHD model in the initial-value code NIMROD. Time evolution of the parallel (to k) flow or “slip frequency” profile and its asymptotic steady state obtained from the NIMROD simulations are compared with both conventional and extended nonlinear response theories. Here, k is the wave vector of the propagating island. Good agreement with the extended theory with free-slip condition has been achieved for the parallel flow profile evolution in response to RMP in all resistive regimes, whereas the difference from the conventional theory with the no-slip condition tends to diminish as the plasma resistivity approaches zero.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Metal-insulator and magnetic phase diagram of Ca 2 RuO 4 from auxiliary field quantum Monte Carlo and dynamical mean field theory

Layered perovskite ruthenium oxides exhibit a striking series of metal-insulator and magnetic-nonmagnetic phase transitions easily tuned by temperature, pressure, epitaxy, and nonlinear drive. In this work, we combine results from two complementary state-of-the-art many-body methods, auxiliary field quantum Monte Carlo and dynamical mean field theory, to determine the low-temperature phase diagram of Ca 2 RuO 4 . Both methods predict a low-temperature, pressure-driven metal-insulator transition accompanied by a ferromagnetic-antiferromagnetic transition. Further, the properties of the ferromagnetic state vary nonmonotonically with pressure and are dominated by the ruthenium $d_{xy}$ orbital, while the properties of the antiferromagnetic state are dominated by the $d_{xz}$ and $d_{yz}$ orbitals. Differences in the details of the predictions of the two methods are analyzed. This work is theoretically important as it presents the first application of the auxiliary field quantum Monte Carlo method to an orbitally degenerate system with both Mott and Hunds physics and provides an important comparison of the dynamical mean field and auxiliary field quantum Monte Carlo methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Shifting Valencies and Magnetic Responses in La-Based High-Entropy Oxide Perovskite Thin Films with Variable Mn Presence

Chemical disorder in compositionally complex perovskite oxides generates a broad distribution of exchange pathways and spin states, but the microscopic origin and spatial homogeneity of the resulting magnetic phases remain debated. Here, we tune the Mn fraction (x = 0.2–0.6) in epitaxial La(Cr, Mn, Fe, Co, Ni)O3 thin films and resolve the coupled evolution of valence, spin state, and magnetism using element-specific x-ray absorption spectroscopy and x-ray magnetic circular dichroism (XMCD). Mn enrichment drives an internal redistribution of charge, in which Mn evolves toward a Mn3+-rich mixed valence, while Co converts from predominantly Co3+ to high-spin Co2+. This valence/spin-state coupling amplifies the Mn- and Co-derived ferromagnetic response by nearly an order of magnitude while increasing the magnetic onset temperature to at least 250 K, whereas Fe and Cr remain essentially trivalent with weak dichroism. Depth-resolved low-energy muon spin spectroscopy (LE-μSR) shows magnetic homogeneity through the film thickness, with a secondary relaxation maximum near 25 K indicating a low-temperature dynamical crossover consistent with frustrated magnetism in a strongly disordered spin lattice.

Miertschin, Duncan [Baylor University]↗
DOE OSTI2022

Tunable Magnetic Labyrinth for Abrikosov Vortices

We study Abrikosov vortex dynamics in a superconducting layer covered with an array of T- and I-shaped magnetically soft permalloy elements. Application of the in-plane field H // polarizes thin permalloy bars forming the array and creates a periodic network of mutually perpendicular lines of the attractive or repulsive magnetic potential for vortices along the bar edges, which can be easily tuned by the rotation of H // . Magneto-optical imaging of the vortex trajectories confirms that such a reconfigurable magnetic potential dominates the vortex motion in a wide temperature range and can be a useful tool for manipulating vortices in fluxonic devices for low-loss microelectronics.

36 MATERIALS SCIENCE↗
DOE OSTI2025

In-situ monitoring of atomically dispersed Pt sites supported on OMS-2 during CO 2 activation

Atomically dispersed catalysts have drawn great interest lately, as they showcase a high density of active sites, selectivity, and high turnover frequencies in oxidation chemistry due to labile oxygen activation. In contrast, the applications of these catalysts have lagged in reduction reactions due to the ambiguity caused by the sintering and restructuring of active sites. To bridge this gap, the evolution of Pt 4+ isomorphically substituted into an octahedral molecular sieve structure (OMS-2) under reductive conditions was correlatively characterized using multiple in-situ analytical techniques such as ambient pressure X-ray photoelectron spectroscopy, environmental transmission electron microscopy, and solid-state nuclear magnetic resonance. The surface dynamics of the Pt single atoms were revealed during the Reverse Water Gas Shift (RWGS) reaction, where the active sites were identified as two-coordinated platinum single atoms. Under reaction, we show nonbinding atoms adjacent to the single atoms restructured the motif of the single atoms to Pt 2+ via ion mobility of potassium, increasing the activation energy by 25.6 kJ/mol. Here, this work also highlights the potential for increased stability of the single atom sites via isomorphic substitution of the metal oxide support, since the Pt-OMS-2 catalyst retained activity for about 33 h before deactivation, after which nanoparticles were observed in TEM images. This work offers a new perspective in single atom synthesis using the metal oxide as the host for the single atom site, instead of adatoms on the surface

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗