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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
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↗
DOE OSTI2023

Frustration- and doping-induced magnetism in a Fermi–Hubbard simulator

Geometrical frustration in strongly correlated systems can give rise to a plethora of novel ordered states and intriguing magnetic phases, such as quantum spin liquids. Promising candidate materials for such phases can be described by the Hubbard model on an anisotropic triangular lattice, a paradigmatic model capturing the interplay between strong correlations and magnetic frustration. However, the fate of frustrated magnetism in the presence of itinerant dopants remains unclear, as well as its connection to the doped phases of the square Hubbard model. Here we investigate the local spin order of a Hubbard model with controllable frustration and doping, using ultracold fermions in anisotropic optical lattices continuously tunable from a square to a triangular geometry. At half-filling and strong interactions U/t ≈ 9, we observe at the single-site level how frustration reduces the range of magnetic correlations and drives a transition from a collinear Néel antiferromagnet to a short-range correlated 120° spiral phase. Away from half-filling, the triangular limit shows enhanced antiferromagnetic correlations on the hole-doped side and a reversal to ferromagnetic correlations at particle dopings above 20%, hinting at the role of kinetic magnetism in frustrated systems. Furthermore, this work paves the way towards exploring possible chiral ordered or superconducting phases in triangular lattices and realizing t–t' square lattice Hubbard models that may be essential to describe superconductivity in cuprate materials.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Magnetic and structural properties of the solid solution CuAl 2(1–x) Ga 2x O 4

CuAl 2 O 4 is a ternary oxide spinel with Cu 2+ ions (s = 1/2) primarily populating the A-site diamond sublattice. The compound is reported to display evidence of spin glass behavior but possess a non-frozen magnetic ground state below the transition temperature. On the other hand, the spinel CuGa 2 O 4 displays spin glass behavior at ~ 2.5 K with Cu 2+ ions more readily tending to the B-site pyrochlore sublattice. Therefore, we investigate the magnetic and structural properties of the solid solution CuAl 2(1-x) Ga 2x O 4 examining the evolution of the magnetic behavior as Al 3+ is replaced with a much larger Ga 3+ ion. Our results show that the Cu 2+ ions tend to migrate from tetrahedral to octahedral sites as the Ga 3+ ion concentration increases, resulting in a concomitant change in the glassy magnetic properties of the solution. Results indicate glassy behavior for much of the solution with a general trend towards decreasing magnetic frustration as the Cu 2+ ion shifts to the B-site. However, the x = 0.1 and 0.2 members of the system do not show glassy behavior down to our measurement limit (1.9 K) suggesting a delayed spin glass transition. We suggest that these two members are additional candidates for investigation to access highly frustrated exotic quantum states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Asymmetry in Time Evolution of Magnetization in Magnetic Nanostructures

Strong interest in nanomagnetism stems from the promise of high storage densities of information through control of ever smaller and smaller ensembles of spins. There is a broad consensus that the Landau-Lifshitz-Gilbert equation reliably describes the magnetization dynamics on classical phenomenological level. On the other hand, it is not so evident that the magnetization dynamics governed by this equation contains built-in asymmetry in the case of broad topology sets of symmetric total energy functional surfaces. The magnetization dynamics in such cases shows preference for one particular state from many energetically equivalent available minima. Here, we demonstrate this behavior on a simple one-spin model which can be treated analytically. Depending on the ferromagnet geometry and material parameters, this asymmetric behavior can be robust enough to survive even at high temperatures opening simplified venues for controlling magnetic states of nanodevices in practical applications. Using micromagnetic simulations we demonstrate the asymmetry in magnetization dynamics in a real system with reduced symmetry such as Pacman-like nanodot. Finally, exploiting the built-in asymmetry in the dynamics could lead to practical methods of preparing desired spin configurations on nanoscale. Introduction

36 MATERIALS SCIENCE↗
DOE OSTI2017

Magnetic hard gap due to bound magnetic polarons in the localized regime

We investigate the low temperature electron transport properties of manganese doped lead sulfide films. The system shows variable range hopping at low temperatures that crosses over into an activation regime at even lower temperatures. This crossover is destroyed by an applied magnetic field which suggests a magnetic origin of the hard gap, associated with bound magnetic polarons. Even though the gap forms around the superconducting transition temperature of lead, we do not find evidence of this being due to insulator-superconductor transition. Comparison with undoped PbS films, which do not show the activated transport behavior, suggests that bound magnetic polarons create the hard gap in the system that can be closed by magnetic fields.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Magnetic tunnel junctions for magnetic field sensor by using CoFeB sensing layer capped with MgO film

We evaluated MgO-based magnetic tunnel junctions (MTJs) for magnetic field sensors with spin-valve-type structures in the CoFeB sensing layer capped by an MgO film in order to obtain both top and bottom interfaces of MgO/CoFeB exhibiting interfacial perpendicular magnetic anisotropy (PMA). Hysteresis of the CoFeB sensing layer in these MTJs annealed at 275 °C was suppressed at a thickness of the sensing layer below 1.2 nm by interfacial PMA. We confirmed that the CoFeB sensing layers capped with MgO suppress the thickness dependences of both the magnetoresistance ratio and the magnetic behaviors of the CoFeB sensing layer more than that of the MTJ with a Ta capping layer. MgO-based MTJs with MgO capping layers can improve the controllability of the characteristics for magnetic field sensors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Strain-assisted current-induced magnetization reversal in magnetic tunnel junctions: A micromagnetic study with phase-field microelasticity

Effect of substrate misfit strain on current-induced in-plane magnetization reversal in CoFeB-MgO based magnetic tunnel junctions is investigated by combining micromagnetic simulations with phase-field microelasticity theory. It is found that the critical current density for in-plane magnetization reversal decreases dramatically with an increasing substrate strain, since the effective elastic field can drag the magnetization to one of the four in-plane diagonal directions. A potential strain-assisted multilevel bit spin transfer magnetization switching device using substrate misfit strain is also proposed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗