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NASA NTRS1990

Physics of the outer heliosphere; Proceedings of the 1st COSPAR Colloquium, Warsaw, Poland, Sept. 19-22, 1989

This volume includes chapters on spectroscopic data on the local interstellar medium and the related XUV radiation background; solar UV backscatter on neutral Galactic gases; entry and dynamics of Galactic and anomalous cosmic rays in the heliosphere; distant solar wind plasma, magnetic field, and solar energetic particles; the interaction of solar wind with the interstellar medium; and deep-space missions. Papers are on the characteristics and the velocity structure of the local interstellar medium, the scattering of solar UV on local neutral gases, solar effects on underground muons at 570 hg/sq cm, and cosmic rays and magnetosonic instabilities of solar wind flow near the heliospheric shock wave. Consideration is also given to the shock heating of the solar wind plasma, solar wind vortex flow in the outer heliosphere, the signature of a viscous interaction at the heliopause, the expected beams of energetic neutral atoms in the outer heliosphere, and the Pioneers 10 and 11 deep-space missions.

Grzedzielski, S.↗

NASA NTRS2017

The Role of Magnetic Helicity in Structuring the Solar Corona

Two of the most widely observed and striking features of the Suns magnetic field are coronal loops, which are smooth and laminar, and prominences or filaments, which are strongly sheared. Loops are puzzling because they show little evidence of tangling or braiding, at least on the quiet Sun, despite the chaotic nature of the solar surface convection. Prominences are mysterious because the origin of their underlying magnetic structure filament channels is poorly understood at best. These two types of features would seem to be quite unrelated and wholly distinct. We argue that, on the contrary, they are inextricably linked and result from a single process: the injection of magnetic helicity into the corona by photospheric motions and the subsequent evolution of this helicity by coronal reconnection. In this paper, we present numerical simulations of the response of a Parker (1972) corona to photospheric driving motions that have varying degrees of helicity preference. We obtain four main conclusions: (1) in agreement with the helicity condensation model of Antiochos (2013), the inverse cascade of helicity by magnetic reconnection in the corona results in the formation of filament channels localized about polarity inversion lines; (2) this same process removes most complex fine structure from the rest of the corona, resulting in smooth and laminar coronal loops; (3) the amount of remnant tangling in coronal loops is inversely dependent on the net helicity injected by the driving motions; and (4) the structure of the solar corona depends only on the helicity preference of the driving motions and not on their detailed time dependence. We discuss the implications of our results for high-resolution observations of the corona.

Knizhnik, K. J.↗

DOE OSTI2025

Genetically Controlled Iron Oxide Biomineralization in Encapsulin Nanocompartments for Magnetic Manipulation of a Mammalian Cell Line

Magnetic nanoparticles have proven invaluable for biomechanical investigations due to their ability to exert localized forces. However, cellular delivery of exogenous magnetic agents often results in endosomal entrapment, thereby limiting their utility for manipulating subcellular structures. This study characterizes and exploits fully genetically controlled biomineralization of iron-oxide cores inside encapsulin nanocompartments to enable magnetic-activated cell sorting (MACS) and magnetic cell manipulation. The fraction of MACS-retained cells showed substantial overexpression of encapsulins and exhibited both para- and ferrimagnetic responses with magnetic moments of 10 -15 A m 2 per cell, comparable to standard exogenous labels for MACS. Electron microscopy revealed that MACS-retained cells contained densely packed agglomerates of ≈30 nm iron oxide cores consisting of ultrafine quasicrystalline ordered nuclei within an amorphous matrix of iron, oxygen, and phosphorus. Scanning transmission X-ray microscopy, X-ray absorption spectroscopy, and Raman microspectroscopy confirmed that the iron-oxide species are consistent with ferric oxide (Fe 2 O 3 ). In addition, the encapsulin-overexpressing MACS-retained cells can be manipulated by a magnetic needle and regrown in patterns determined by magnetic gradients. This study demonstrates that the formation of quasicrystalline iron oxide with mixed para/ferrimagnetic behavior in the cytosol of mammalian cells enables magnetic manipulation without the delivery of exogenous agents.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

Machine Learning Full NMR Chemical Shift Tensors of Silicon Oxides with Equivariant Graph Neural Networks

The nuclear magnetic resonance (NMR) chemical shift tensor is a highly sensitive probe of the electronic structure of an atom and furthermore its local structure. Recently, machine learning has been applied to NMR in the prediction of isotropic chemical shifts from a structure. Current machine learning models, however, often ignore the full chemical shift tensor for the easier-to-predict isotropic chemical shift, effectively ignoring a multitude of structural information available in the NMR chemical shift tensor. Here we use an equivariant graph neural network (GNN) to predict full 29 Si chemical shift tensors in silicate materials. The equivariant GNN model predicts full tensors to a mean absolute error of 1.05 ppm and is able to accurately determine the magnitude, anisotropy, and tensor orientation in a diverse set of silicon oxide local structures. When compared with other models, the equivariant GNN model outperforms the state-of-the-art machine learning models by 53%. The equivariant GNN model also outperforms historic analytical models by 57% for isotropic chemical shift and 91% for anisotropy. The software is available as a simple-to-use open-source repository, allowing similar models to be created and trained with ease.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Dirac Fermions and Flat Bands in Phosphorus Carbide Nanotubes: Structural and Quantum Phase Transitions in a Quasi-One-Dimensional Material

Chemically realistic quasi-one-dimensional (1D) materials in which Dirac Fermions and highly degenerate flat bands coexist intrinsically at the Fermi level are exceedingly rare, while representing a highly desirable platform for correlated and topological quantum phenomena. Here, in this work, using specialized symmetry-adapted first-principles calculations we predict a new class of nanomaterials─phosphorus carbide nanotubes (P 2 C 3 NTs)─obtained by rolling monolayer P 2 C 3 , a two-dimensional material shown in a previous letter to host “double Kagome bands”. Both armchair and zigzag P 2 C 3 NTs are stable at room temperature and feature the rare coexistence of Dirac crossings and multiple flat bands at the Fermi level inherited from the underlying honeycomb–Kagome lattice, with the flat bands resilient to elastic deformations. Under large strain, the structure transforms from honeycomb–Kagome to “brick-wall”, accompanied by multiple coupled structural and quantum phase transitions. We also uncover localized edge states, spin splitting from vacancies and dopants, and strain-tunable magnetism. Together, these results establish P 2 C 3 NTs as a chemically specific and mechanically tunable 1D material platform with potential applications in quantum hardware and spintronics.

carbon nanotubes↗

DOE OSTI2020

Metal–insulator transition tuned by oxygen vacancy migration across TiO2/VO2 interface

Abstract Oxygen defects are essential building blocks for designing functional oxides with remarkable properties, ranging from electrical and ionic conductivity to magnetism and ferroelectricity. Oxygen defects, despite being spatially localized, can profoundly alter global properties such as the crystal symmetry and electronic structure, thereby enabling emergent phenomena. In this work, we achieved tunable metal–insulator transitions (MIT) in oxide heterostructures by inducing interfacial oxygen vacancy migration. We chose the non-stoichiometric VO 2-δ as a model system due to its near room temperature MIT temperature. We found that depositing a TiO 2 capping layer on an epitaxial VO 2 thin film can effectively reduce the resistance of the insulating phase in VO 2 , yielding a significantly reduced R OFF /R ON ratio. We systematically studied the TiO 2 /VO 2 heterostructures by structural and transport measurements, X-ray photoelectron spectroscopy, and ab initio calculations and found that oxygen vacancy migration from TiO 2 to VO 2 is responsible for the suppression of the MIT. Our findings underscore the importance of the interfacial oxygen vacancy migration and redistribution in controlling the electronic structure and emergent functionality of the heterostructure, thereby providing a new approach to designing oxide heterostructures for novel ionotronics and neuromorphic-computing devices.

36 MATERIALS SCIENCE↗

DOE OSTI2021

The geometry of the ICRF-induced wave–SOL interaction. A multi-machine experimental review in view of the ITER operation

As a part of ITPA-Integrated Operational Scenario activities, this contribution reviews recent experimental characterizations of radio-frequency (RF)-induced scrape-off layer (SOL) modifications of various tokamaks worldwide and of the LArge Plasma Device at UCLA. The phenomenology, as observed using a large variety of measurement techniques, is consistent with expectations from RF sheath rectification. Emphasis is then put on the complex three-dimensional (3D) spatial patterns of the RF–SOL interaction, in relation to the magnetic topology and the spatial distribution of RF currents over the metallic structures surrounding the RF wave launchers. Dependence on the local plasma parameters in the antenna vicinity is also briefly addressed. The final part discusses implications for future devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Coulomb correlation in noncollinear antiferromagnetic 𝛼-Mn

Here, we discuss the interplay between magnetic and structural degrees of freedom in elemental Mn. The equilibrium volume is shown to be sensitive to magnetic interactions between the Mn atoms. While the standard generalized gradient approximation underestimates the equilibrium volume, a more accurate treatment of the effects of electronic localization and magnetism is found to solve this longstanding problem. Our calculations also reveal the presence of a magnetic phase in strained $\alpha$-Mn that has been reported previously in experiments. This new phase of strained $\alpha$-Mn exhibits a noncollinear spin structure with large magnetic moments.

36 MATERIALS SCIENCE↗

NASA NTRS1976

Effects on the plasmasphere of irregular electric fields

A conservative convection electric field model developed by Volland (1973) to describe the solar wind induced plasma flow within the inner magnetosphere is modified to include a noisy spatial component. Under steady state conditions such a random component will result in spatial irregularities in the thermal plasma density distribution in the vicinity of the plasmapause. Spatial irregularities in the convection can produce longitudinally restricted perturbations near the plasmapause, some of which are detached from the main body of the plasmasphere. Temporal variations in the midnight to noon flow intensity produce elongated extensions of the plasmasphere, but even short period variations of the overall magnitude of the convection cannot produce longitudinally localized perturbations in the thermal plasma distribution. Convection models based on the 3 hr magnetic index K sub p yield plasmasphere structures which are qualitatively similar to those based on shorter period variations, but the exact location at any given time of the plasmapause is dependent upon the characteristic time scale employed.

Grebowsky, J. M.↗

NASA NTRS1988

An ISEE-1/2 spacecraft study of an unusual flux transfer event

Using the ISEE-1/2 spacecraft, an unusual FTE was studied. The perturbation in the direction normal to the magnetopause reached a maximum size of 64 nT, exceeding the field amplitude in the adjacent magnetosphere. The observation was made at 1500 Local Time in the Southern Hemisphere (10 deg below the magnetic equator). From two point observations, it was found that the structure has a scale length of 2R(E) in the north-south direction in boundary normal coordinates. The velocity of the structure in that direction was about 50 km/sec. The dimension and the velocity in the east-west direction could not be established. The FTE signature recurred after about 9 minutes.

Zhu, X. M.↗

NASA NTRS1996

On the Dynamics of Small-Scale Solar Magnetic Elements

We report on the dynamics of the small-scale solar magnetic field, based on analysis of very high resolution images of the solar photosphere obtained at the Swedish Vacuum Solar Telescope. The data sets are movies from 1 to 4 hr in length, taken in several wavelength bands with a typical time between frames of 20 s. The primary method of tracking small-scale magnetic elements is with very high contrast images of photospheric bright points, taken through a 12 A bandpass filter centered at 4305 A in the Fraunhofer 'G band.' Previous studies have established that such bright points are unambiguously associated with sites of small-scale magnetic flux in the photosphere, although the details of the mechanism responsible for the brightening of the flux elements remain uncertain. The G band bright points move in the intergranular lanes at speeds from 0.5 to 5 km/s. The motions appear to be constrained to the intergranular lanes and are primarily driven by the evolution of the local granular convection flow field. Continual fragmentation and merging of flux is the fundamental evolutionary mode of small-scale magnetic structures in the solar photosphere. Rotation and folding of chains or groups of bright points are also observed. The timescale for magnetic flux evolution in active region plage is on the order of the correlation time of granulation (typically 6-8 minutes), but significant morphological changes can occur on timescales as short as 100 S. Smaller fragments are occasionally seen to fade beyond observable contrast. The concept of a stable, isolated subarcsecond magnetic 'flux tube' in the solar photosphere is inconsistent with the observations presented here.

Berger, T. E.↗

NASA NTRS1978

Bias structure to efficiently package a magnetic bubble domain device

A single, compact bias structure to efficiently package a plurality of magnetic bubble domain device chips having different bias requirements. The vertical magnetic field distribution within the bias structure air gap is selectively controlled by a magnetically soft field adjusting assembly suitably attached within the bias structure. The size and configuration of the field adjusting assembly tailors local field variations within the air gap to correspond with the bias requirements of the bubble domain chips disposed therein.

Chen, Thomas T.↗

NASA NTRS2003

The Sun to the Earth - and Beyond: A Decadal Research Strategy in Solar and Space Physics

The sun is the source of energy for life on earth and is the strongest modulator of the human physical environment. In fact, the Sun's influence extends throughout the solar system, both through photons, which provide heat, light, and ionization, and through the continuous outflow of a magnetized, supersonic ionized gas known as the solar wind. While the accomplishments of the past decade have answered important questions about the physics of the Sun, the interplanetary medium, and the space environments of Earth and other solar system bodies, they have also highlighted other questions, some of which are long-standing and fundamental. The Sun to the Earth--and Beyond organizes these questions in terms of five challenges that are expected to be the focus of scientific investigations in solar and space physics during the coming decade and beyond. While the accomplishments of the past decades have answered important questions about the physics of the Sun, the interplanetary medium, and the space environments of Earth and other solar system bodies, they have also highlighted other questions, some of which are long-standing and fundamental. This report organizes these questions in terms of five challenges that are expected to be the focus of scientific investigations in solar and space physics during the coming decade and beyond: Challenge 1: Understanding the structure and dynamics of the Sun's interior, the generation of solar magnetic fields, the origin of the solar cycle, the causes of solar activity, and the structure and dynamics of the corona. Challenge 2: Understanding heliospheric structure, the distribution of magnetic fields and matter throughout the solar system, and the interaction of the solar atmosphere with the local interstellar medium. Challenge 3: Understanding the space environments of Earth and other solar system bodies and their dynamical response to external and internal influences. Challenge 4: Understanding the basic physical principles manifest in processes observed in solar and space plasmas. Challenge 5: Developing a near-real-time predictive capability for understanding and quantifying the impact on human activities of dynamical processes at the Sun, in the interplanetary medium, and in Earth's magnetosphere and ionosphere. This report summarizes the state of knowledge about the total heliospheric system, poses key scientific questions for further research, and presents an integrated research strategy, with prioritized initiatives, for the next decade. The recommended strategy embraces both basic research programs and targeted basic research activities that will enhance knowledge and prediction of space weather effects on Earth. The report emphasizes the importance of understanding the Sun, the heliosphere, and planetary magnetospheres and ionospheres as astrophysical objects and as laboratories for the investigation of fundamental plasma physics phenomena.

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DOE OSTI2021

Direct evidence of microstructure dependence of magnetic flux trapping in niobium

Abstract Elemental type-II superconducting niobium is the material of choice for superconducting radiofrequency cavities used in modern particle accelerators, light sources, detectors, sensors, and quantum computing architecture. An essential challenge to increasing energy efficiency in rf applications is the power dissipation due to residual magnetic field that is trapped during the cool down process due to incomplete magnetic field expulsion. New SRF cavity processing recipes that use surface doping techniques have significantly increased their cryogenic efficiency. However, the performance of SRF Nb accelerators still shows vulnerability to a trapped magnetic field. In this manuscript, we report the observation of a direct link between flux trapping and incomplete flux expulsion with spatial variations in microstructure within the niobium. Fine-grain recrystallized microstructure with an average grain size of 10–50 µm leads to flux trapping even with a lack of dislocation structures in grain interiors. Larger grain sizes beyond 100–400 µm do not lead to preferential flux trapping, as observed directly by magneto-optical imaging. While local magnetic flux variations imaged by magneto-optics provide clarity on a microstructure level, bulk variations are also indicated by variations in pinning force curves with sequential heat treatment studies. The key results indicate that complete control of the niobium microstructure will help produce higher performance superconducting resonators with reduced rf losses 1 related to the magnetic flux trapping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Cesium exhibits different mesoscale segregation and ion pairing than lithium, sodium, or potassium in concentrated alkaline aqueous nitrite solutions

Understanding ion pairing in concentrated alkaline electrolytes facilitates the prediction and control of chemical processes in nuclear waste. While sodium is the dominant alkali metal in such systems, cesium often exhibits distinct bulk behavior relative to lighter alkali cations. Aqueous mixtures of cesium hydroxide and sodium nitrite were compared to alkali hydroxide analogs using small-angle x-ray scattering, revealing that cesium disrupts the sodium nitrite electrolyte structure, forming cesium-rich domains. This mesoscale segregation contrasts with the near-ideal mixing observed in other mixed hydroxide–nitrite systems. Raman spectroscopy indicates cesium–nitrite ion pairing, evidenced by vibrational shifts distinct from those associated with sodium. Multinuclear magnetic resonance spectroscopy further supports cesium–nitrite and cesium–hydroxide association, revealing a distinct local environment for nitrite in cesium-containing solutions. Together, these findings show that cesium promotes a unique solution structure dominated by specific ion pairing within segregated domains. This structural organization may influence radical generation pathways in high-ionic-strength alkaline media relevant to nuclear waste processing and management.

Nienhuis, Emily T. [Pacific Northwest National Lab↗

DOE OSTI2024

Theory of Defect-Induced Crystal Field Perturbations in Rare-Earth Magnets

We present a theory describing the single-ion anisotropy of rare-earth (RE) magnets in the presence of point defects. Taking the RE-lean 1 ∶ 12 magnet class as a prototype, we use first-principles calculations to show how the introduction of Ti substitutions into SmFe 12 perturbs the crystal field, generating new coefficients due to the lower symmetry of the RE environment. We then demonstrate that these perturbations can be described extremely efficiently using a screened point charge model. We provide analytical expressions for the anisotropy energy that can be straightforwardly implemented in atomistic spin dynamics simulations, meaning that such simulations can be carried out for an arbitrary arrangement of point defects. The significant crystal field perturbations calculated here demonstrate that a sample that is single phase from a structural point of view can nonetheless have a dramatically varying anisotropy profile at the atomistic level if there is compositional disorder, which may influence localized magnetic objects like domain walls or skyrmions. Published by the American Physical Society 2024

25 ENERGY STORAGE↗

DOE OSTI2021

Evaluating the effects of structural disorder on the magnetic properties of Nd 2 Zr 2 O 7

Motivated by the variation in reported lattice parameters of floating-zone-grown Nd 2 Zr 2 O 7 crystals, we have performed a detailed study of the relationship between synthesis environment, structural disorder, and magnetic properties. Using a combination of polycrystalline standards, electron-probe microanalysis, and scattering techniques, we show that crystals grown under atmospheric conditions have a reduced lattice parameter relative to pristine polycrystalline powders due to occupation of the Nd site by excess Zr (i.e., negative stuffing). In contrast, crystals grown under high-pressure Ar are nearly stoichiometric with an average lattice parameter approaching the polycrystalline value. While minimal disorder of the oxygen sublattices is observed on the scale of the average structure, neutron pair-distribution function analysis indicates a highly local disorder of the oxygen coordination, which is only weakly dependent on growth environment. Most importantly, our magnetization, heat capacity, and single-crystal neutron scattering data show that the magnetic properties of crystals grown under high-pressure Ar match closely with those of stoichiometric powders. Neutron scattering measurements reveal that the signature of magnetic moment fragmentation—the coexistence of all-in-all-out (AIAO) magnetic Bragg peaks and diffuse pinch-point scattering due to spin-ice correlations–persists in these nearly stoichiometric crystals. However, in addition to an increased AIAO transition temperature, the diffuse signal is seemingly stabilized and remains nearly unchanged upon warming to 800 mK. This behavior indicates that both the AIAO magnetic order and spin-ice correlations are sensitive to deviations of the Nd stoichiometry.

36 MATERIALS SCIENCE↗

NASA NTRS2004

Lunar and Planetary Science XXXV: Mars Geophysics

The titles in this section include: 1) An Extraordinary Magnetic Field Map of Mars; 2) Mapping Weak Crustal Magnetic Fields on Mars with Electron Reflectometry; 3) Analytic Signal in the Interpretation of Mars Southern Highlands Magnetic Field; 4) Modeling of Major Martian Magnetic Anomalies: Further Evidence for Polar Reorientations During the Noachian; 5) An Improved Model of the Crustal Structure of Mars; 6) Geologic Evolution of the Martian Dichotomy and Plains Magnetization in the Ismenius Area of Mars; 7) Relaxation of the Martian Crustal Dichotomy Boundary in the Ismenius Region; 8) Localized Tharsis Loading on Mars: Testing the Membrane Surface Hypothesis; 9) Thermal Stresses and Tharsis Loading: Implications for Wrinkle Ridge Formation on Mars; 10) What Can be Learned about the Martian Lithosphere from Gravity and Topography Data? 11) A Gravity Analysis of the Subsurface Structure of the Utopia Impact Basin; 12) Mechanics of Utopia Basin on Mars; 13) Burying the 'Buried Channels' on Mars: An Alternative Explanation.

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