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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Magnetic field induced a b -plane rotation of the Eu magnetic moments in trigonal EuMg 2 Bi 2 and EuMg 2 Sb 2 single crystals below their Néel temperatures

The thermodynamic and electronic-transport properties of trigonal EuMg 2 Bi 2 in ab-plane magnetic fields H x and the A-type antiferromagnetic structure have recently been reported. The Eu magnetic moments with spin S = 7/2 remain locked in the ab plane up to and above the ab-plane critical field $H^{c}_{x}$ = 27.5 kOe at which the Eu moments become parallel to H x . Here additional measurements at low fields are reported that reveal a new spin-reorientation transition at a field H c1 ≈ 465 Oe where the Eu moments remain in the ab plane but become perpendicular to H x . At higher fields, the moments cant toward the field resulting in M ∝ H x up to $H^{c}_{x}$. Similar results are reported from measurements of the magnetic properties of EuMg 2 Sb 2 single crystals, where H c1 ≈ 220 Oe is found. Theory is formulated that models the low-field magnetic behavior of both materials, and the associated anisotropies are calculated. Further, the ab-plane trigonal anisotropy in EuMg 2 Sb 2 is found to be significantly smaller than in EuMg 2 Bi 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Chaoticity threshold in magnetized plasmas: Numerical results in the weak coupling regime

The present paper is a numerical counterpart to the theoretical work [Carati et al., Chaos 22, 033124 (2012)]. We are concerned with the transition from order to chaos in a one-component plasma (a system of point electrons with mutual Coulomb interactions, in a uniform neutralizing background), the plasma being immersed in a uniform stationary magnetic field. In the paper [Carati et al., Chaos 22, 033124 (2012)], it was predicted that a transition should take place when the electron density is increased or the field decreased in such a way that the ratio ω{sub p}/ω{sub c} between plasma and cyclotron frequencies becomes of order 1, irrespective of the value of the so-called Coulomb coupling parameter Γ. Here, we perform numerical computations for a first principles model of N point electrons in a periodic box, with mutual Coulomb interactions, using as a probe for chaoticity the time-autocorrelation function of magnetization. We consider two values of Γ (0.04 and 0.016) in the weak coupling regime Γ ≪ 1, with N up to 512. A transition is found to occur for ω{sub p}/ω{sub c} in the range between 0.25 and 2, in fairly good agreement with the theoretical prediction. These results might be of interest for the problem of the breakdown of plasma confinement in fusion machines.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

High-resolution nuclear magnetic resonance measurements in inhomogeneous magnetic fields: A fast two-dimensional J-resolved experiment

High spectral resolution in nuclear magnetic resonance (NMR) is a prerequisite for achieving accurate information relevant to molecular structures and composition assignments. The continuous development of superconducting magnets guarantees strong and homogeneous static magnetic fields for satisfactory spectral resolution. However, there exist circumstances, such as measurements on biological tissues and heterogeneous chemical samples, where the field homogeneity is degraded and spectral line broadening seems inevitable. Here we propose an NMR method, named intermolecular zero-quantum coherence J-resolved spectroscopy (iZQC-JRES), to face the challenge of field inhomogeneity and obtain desired high-resolution two-dimensional J-resolved spectra with fast acquisition. Theoretical analyses for this method are given according to the intermolecular multiple-quantum coherence treatment. Experiments on (a) a simple chemical solution and (b) an aqueous solution of mixed metabolites under externally deshimmed fields, and on (c) a table grape sample with intrinsic field inhomogeneity from magnetic susceptibility variations demonstrate the feasibility and applicability of the iZQC-JRES method. The application of this method to inhomogeneous chemical and biological samples, maybe in vivo samples, appears promising.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Extreme ultra-violet burst, particle heating, and whistler wave emission in fast magnetic reconnection induced by kink-driven Rayleigh-Taylor instability

A spatially localized energetic extreme ultra-violet (EUV) burst is imaged at the presumed position of fast magnetic reconnection in a plasma jet produced by a coaxial helicity injection source; this EUV burst indicates strong localized electron heating. A circularly polarized high frequency magnetic field perturbation is simultaneously observed at some distance from the reconnection region indicating that the reconnection emits whistler waves and that Hall dynamics likely governs the reconnection. Spectroscopic measurement also shows simultaneous fast ion heating. The electron heating is consistent with Ohmic dissipation, while the ion heating is consistent with ion trajectories becoming stochastic.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Relevance of 4f-3d exchange to finite-temperature magnetism of rare-earth permanent magnets: An ab-initio-based spin model approach for NdFe{sub 12}N

A classical spin model derived ab initio for rare-earth-based permanent magnet compounds is presented. Our target compound, NdFe{sub 12}N, is a material that goes beyond today's champion magnet compound Nd{sub 2}Fe{sub 14}B in its intrinsic magnetic properties with a simpler crystal structure. Calculated temperature dependence of the magnetization and the anisotropy field agrees with the latest experimental results in the leading order. Having put the realistic observables under our numerical control, we propose that engineering 5d-electron-mediated indirect exchange coupling between 4f-electrons in Nd and 3d-electrons from Fe would most critically help enhance the material's utility over the operation-temperature range.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

ON THE ROLE OF REPETITIVE MAGNETIC RECONNECTIONS IN EVOLUTION OF MAGNETIC FLUX ROPES IN SOLAR CORONA

Parker's magnetostatic theorem, extended to astrophysical magnetofluids with large magnetic Reynolds number, supports ceaseless regeneration of current sheets and, hence, spontaneous magnetic reconnections recurring in time. Consequently, a scenario is possible where the repeated reconnections provide an autonomous mechanism governing emergence of coherent structures in astrophysical magnetofluids. In this work, such a scenario is explored by performing numerical computations commensurate with the magnetostatic theorem. In particular, the computations explore the evolution of a flux rope governed by repeated reconnections in a magnetic geometry resembling bipolar loops of solar corona. The revealed morphology of the evolution process—including onset and ascent of the rope, reconnection locations, and the associated topology of the magnetic field lines—agrees with observations, and thus substantiates physical realizability of the advocated mechanism.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Rationalization of solidification mechanism of Nd–Fe–B magnets during laser directed-energy deposition [Rationalization of solidification mechanism of neodymium-iron-boron magnets obtained after laser directed-energy deposition process]

Here, near-net fabrication techniques are highly beneficial to minimize rare earth metal usage to fabricate dense fully functional magnets. In this study, feasibility of using the directed-energy deposition technique for fabrication of magnets is evaluated. The results show that despite the ability to fabricate highly reactive materials in the laser deposition process, the magnetic coercivity and remanence of the hard magnets is significantly reduced. X-ray powder diffraction in conjunction with electron microscopy showed that the material experienced a primary Nd 2 Fe 17 B x solidification. Consequently, the absence of the hard magnetic phase resulted in deterioration of the build properties.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Synthesis and Magnetic Properties of Soft Magnetic Composites Based on Silicone Resin-Coated Iron Powders

Iron-based soft magnetic composites with silicone resin coating have been designed to reduce the core loss and improve the magnetic properties of cores. The silicone resin serving as electrical insulating layer was modified by 3-glycidoxypropyltrimethoxy silane, and the effect of silicone resin content, coupling agent, annealing treatment, and thermal cycling on the magnetic properties of composites was investigated in the frequency range from DC to 150 kHz. The coated silicone resin insulating layer was characterized by scanning electron microscopy and energy dispersive spectroscopy. The results showed that the optimum coating content of silicone resin to attain the acceptable permeability and the minimum magnetic loss for the prepared composites is 4 wt%. The sample with silicone resin coat exhibited better DC-bias superposition characteristics compared to the uncoated sample, 6 wt% silicone resin coating sample have excellent percentage effective permeability (84.8%) under 50 Oe applied field. AC magnetic properties evaluated at 1 and 100 kHz do not vary with a 95% confidence interval with the number of thermal cycles; therefore, the properties of the silicone resin-insulating composites are stable under thermal cycling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Unraveling Site Selective Magnetic Properties of Cobalt Sites in Critical Elements Lean RE(TM)5 Magnet Materials

We report here our discovery of crystallographic and interstitial sites and onsite electron correlation propelled intrinsic and derived permanent magnetic properties of critical elements lean RE(TM) 5 (RE = La, Ce and TM = Fe, Co) magnet materials. A full potential linearized augmented plane wave (FP-LAPW) method within the local density approximation (LDA) is used to investigate and analyze the electronic structure and magnetism of these RE(TM) 5 type structures. To better correlate the experimental results, the effective Coulomb (U) and exchange (J) interactions (Hubbard parameters) are crucial at the transition metal sites. Results show that the main propeller of magnetic anisotropy in these compounds is the cobalt atoms at the 2c sites not the 3g sites. This site-specific property and site preference energetics are used to replace 3g sites with non-critical elements such as iron that exhibits a larger magnetic moment. Based on this strategic replacement, we predict two new compounds that have a larger hardness parameter with a relatively large energy product due to the atomic dilution caused by interstitial addition of nitrogen in the compounds: CeCo 2 Fe 3 N 2 and LaCo 2 Fe 3 N 2 .

Rare-earths↗
DOE OSTI2018

Development of hypertension after long-term exposure to static magnetic fields among workers from a magnetic resonance imaging device manufacturing facility

Highlights: • High cumulative exposure to MRI-related static magnetic fields is associated with hypertension. • No association was apparent for low cumulative exposure to static magnetic fields. • New association pointing at long term effects of static magnetic fields needs corroboration. To assess the association between long-term exposure to static magnetic fields (SMF) in a magnetic resonance imaging (MRI)-manufacturing environment and hypertension.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2015

Large magnetic entropy change and magnetoresistance in a Ni 41 Co 9 Mn 40 Sn 10 magnetic shape memory alloy

A polycrystalline Ni 41 Co 9 Mn 40 Sn 10 (at. %) magnetic shape memory alloy was prepared by arc melting and characterized mainly by magnetic measurements, in-situ high-energy X-ray diffraction (HEXRD), and mechanical testing. A large magnetoresistance of 53.8% (under 5 T) and a large magnetic entropy change of 31.9 J/(kg K) (under 5 T) were simultaneously achieved. Both of these values are among the highest values reported so far in Ni-Mn-Sn-based Heusler alloys. The large magnetic entropy change, closely related to the structural entropy change, is attributed to the large unit cell volume change across martensitic transformation as revealed by our in-situ HEXRD experiment. Furthermore, good compressive properties were also obtained. Lastly, the combination of large magnetoresistance, large magnetic entropy change, and good compressive properties, as well as low cost makes this alloy a promising candidate for multifunctional applications.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Synthesis, crystal structure, and magnetism of A{sub 2}Co{sub 12}As{sub 7} (A=Ca, Y, Ce–Yb)

Ternary intermetallics, A{sub 2}Co{sub 12}As{sub 7} (A=Ca, Y, Ce–Yb), have been synthesized by annealing mixtures of elements in molten Bi at 1223 K. The materials obtained crystallize in the P6{sub 3}/m variant of the Zr{sub 2}Fe{sub 12}P{sub 7} structure type. The unit cell volume shows a monotonic decrease with the increasing atomic number of the rare-earth metal, with the exception of Ce-, Eu-, and Yb-containing compounds. An examination of these outliers with X-ray absorption near edge structures (XANES) spectroscopy revealed mixed valence of Ce, Eu, and Yb, with the average oxidation states of +3.20(1), +2.47(5), and +2.91(1), respectively, at room temperature. Magnetic behavior of A{sub 2}Co{sub 12}As{sub 7} is generally characterized by ferromagnetic ordering of Co 3d moments at 100–140 K, followed by low-temperature ordering of rare-earth 4f moments. The 3d-4f magnetic coupling changes from antiferromagnetic for A=Pr–Sm to ferromagnetic for A=Ce and Eu–Yb. Polarized neutron scattering experiments were performed to support the postulated ferro- and ferrimagnetic ground states for Ce{sub 2}Co{sub 12}As{sub 7} and Nd{sub 2}Co{sub 12}As{sub 7}, respectively. - Graphical abstract: Title arsenides were synthesized by Bi‐flux method. They exhibit mixed valence for A = Ce, Eu, Yb, ferrimagnetism for A = Ca, Y, Pr–Sm, and ferromagnetism for A = Eu–Tm. - Highlights: • A2Co12As7 (A=Ca, Y, Ce–Yb) were synthesized in Bi flux. • Ce, Eu, Yb exhibit mixed valence in the corresponding structures. • The character of 3d‐4f magnetic coupling changes at the half‐filled f shell. • Materials behave as ferrimagnets for A=Ca, Y, Pr–Sm and as ferromagnets for A=Eu–Yb.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Structural and magnetic properties of nickel antimony ferrospinels

Spinel-type compounds of Fe–Ni–Sb–O system were synthesized as polycrystalline powders. The crystal and magnetic properties were investigated using X-ray and neutron powder diffraction, Mössbauer and X-ray absorption spectroscopy and magnetization measurements. The samples crystallize in the cubic system, space group Fd – 3 m. The distribution of cations between octahedral and tetrahedral sites was refined from the diffraction data sets using constraints imposed by the magnetic, Mössbauer and EDS results and the ionic radii. The cation distribution and the temperature dependence of the lattice parameter (a) and the oxygen positional parameter (u) were obtained. A chemical formula close to Fe0.8Ni1.8Sb0.4O4 was determined, with Sb5+ cations occupying octahedral sites, and Fe3+ and Ni2+ occupying both tetrahedral and octahedral sites. Fe3+ mainly (85/15 ratio) occupy tetrahedral sites, and conversely Ni2+ mainly reside on octahedral ones. The magnetic unit cell is the same as the crystallographic one, having identical symmetry relations. The results indicate that the compounds have a collinear ferrimagnetic structure with antiferromagnetic coupling between the tetrahedral (A) and octahedral (B) sites. Uniquely, the temperature dependence of the net magnetization of this rare earth free ferrimagnet exhibits a compensation point.

Crystal structure↗
DOE OSTI2026

A solid-state extrusion pathway extensible to upcycling aluminum scrap and end-of-life permanent magnets into ductile Al-6061/SmCo 5 structural magnetic composites

Permanent magnets offer strong potential for multifunctional structural components, but their inherent brittleness limits direct integration. Here, SolidStir® Extrusion (SSE) is used to embed SmCo5 powder into AA6061 in the solid state, and the resulting microstructure, interfacial chemistry, mechanical properties, and magnetic response are systematically characterized. SSE fragments the initial SmCo 5 powder into predominantly fine particles dispersed within an ultrafine Al matrix, with a volume fraction of ∼ 4–6 % in this proof-of-concept study. Interfacial reactions form a continuous Al–Co reaction layer, with local atomic-resolution indexing consistent with Al 13 Co 4 , together with Sm–Si-rich reaction products, while the matrix contains Sm–Co–Si-rich precipitates and Mg 2 Si, producing features from nanometers to micrometers. Compared with an Al extrudate, this architecture increases yield strength by ∼ 42 % and tensile strength by ∼ 31 %, while preserving uniform elongation, and it sustains work hardening in compression from 150 to 400 °C. The composite retained hard-magnetic behavior, with axial magnetization of 12.7 A·m 2 kg −1 at 6 T and intrinsic coercivity of 9.6 kOe. These findings demonstrate that SSE can produce Al-based load-bearing magnetic composites while preserving useful SmCo5 functionality.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Relativistic Effects in Magnetic Circular Dichroism: Restricted Magnetic Balance and Temperature Dependence

Magnetic circular dichroism of transition metal complexes and open-shell systems are challenging to simulate and analyze, mainly due to the interplay of spin–orbit couplings and finite-magnetic-field induced Zeeman effects with the complex selection rules dictated by the circularly polarized light. In this study, we introduce an ab initio relativistic two-component formalism based on the restricted magnetic-balanced Hamiltonian for simulating MCD spectra. Both homogeneous finite magnetic field and relativistic effects are included variationally in the ground state reference. Finite-field London orbitals are used to enforce the constrained gauge-origin independence in the calculation using localized atomic orbitals. Through benchmark studies of AuCl 4 – , Pt(CN) 4 2– , and Mo(CN) 8 3– , we discuss how relativistic effects are manifested in MCD for both closed-shell and open-shell molecular complexes and how the interplay between spin–orbit coupling and magnetic field modulates the MCD selection rules. Finally, an investigation on temperature-dependent MCD is carried out and compared to experiment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Exact-Two-Component Complete Active Space Method with Variational Treatment of Magnetic Field and Spin–Orbit Coupling: Application to X-ray Magnetic Circular Dichroism Spectroscopy

We introduce an exact-two-component complete active space self-consistent-field (X2C-CASSCF) method formulated under the restricted-magnetic-balance condition. This framework allows for the nonperturbative treatment of static magnetic fields using gauge-including atomic orbitals (GIAOs). The GIAO-X2C-CASSCF methodology effectively captures all microstates within the same 2J + 1-degenerate manifold and their splitting in a static magnetic field, which are not accessible through single-reference-based methods. We also present mathematical recursive expressions for evaluating one-electron relativistic integrals by using GIAOs in the presence of a finite magnetic field. Benchmark studies include oxygen and nitrogen K-edge X-ray magnetic circular dichroism spectroscopy (XMCD) for closed-shell organic compounds, as well as L-edge XMCD spectroscopy for the high-spin open-shell transition metal ion Mn 2+ and the tetrahedral Mn(II)O 4 6– complex.

Chemical calculations↗