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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Investigation of the commensurate magnetic structure in the heavy-fermion compound CePt 2 In 7 using magnetic resonant x-ray diffraction

In this paper, we investigated the magnetic structure of the heavy-fermion compound CePt 2 In 7 below T N = 5.34 (2) K using magnetic resonant x-ray diffraction at ambient pressure. The magnetic order is characterized by a commensurate propagation vector k 1/2 = (1/2, 1/2, 1/2) with spins lying in the basal plane. Our measurements did not reveal the presence of an incommensurate order propagating along the high-symmetry directions in reciprocal space but cannot exclude other incommensurate modulations or weak scattering intensities. The observed commensurate order can be described equivalently by either a single-k structure or by a multi-k structure. Furthermore we explain how a commensurate-only ordering may explain the broad distribution of internal fields observed in nuclear quadrupolar resonance experiments [Sakai et al., Phys. Rev. B 83, 140408 (2011)] that was previously attributed to an incommensurate order. We also report powder x-ray diffraction showing that the crystallographic structure of CePt 2 In 7 changes monotonically with pressure up to P = 7.3 GPa at room temperature. The determined bulk modulus B 0 = 81.1 (3) GPa is similar to those of the Ce-115 family. Broad diffraction peaks confirm the presence of pronounced strain in polycrystalline samples of CePt 2 In 7 . Lastly, we discuss how strain effects can lead to different electronic and magnetic properties between polycrystalline and single crystal samples.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Modeling magnetic evolution and exchange hardening in disordered magnets: The example of Mn 1 - x Fe x Ru 2 Sn Heusler alloys

We demonstrate how exchange hardening can arise in a chemically disordered solid solution from a first-principles statistical mechanics approach. A general mixed-basis chemical and magnetic cluster expansion has been developed, and applied to the Mn 1-x Fe x Ru 2 Sn Heusler alloy system; single-phase solid solutions between antiferromagnetic MnRu 2 Sn and ferromagnetic FeRu 2 Sn with disorder on the Mn/Fe sublattice that exhibit unexpected exchange hardening. Monte Carlo simulations applied to the cluster expansion are able to reproduce the experimentally measured magnetic transition temperatures and the bulk magnetization as a function of composition. The magnetic ordering around a site is shown to be dependent not only on bulk composition, but also on the identity of the site and the local composition around that site. The simulations predict that local antiferromagnetic orderings form inside a bulk ferromagnetic region at intermediate compositions that drives the exchange hardening. Furthermore, the antiferromagnetic regions disorder at a lower temperature than the ferromagnetic regions, providing an atomistic explanation for the experimentally observed decrease in exchange hardening with increasing temperature. These effects occur on a length scale too small to be resolved with previously used characterization techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Rotor Magnet Fault Analysis in Permanent Magnet AC Machines Under Load Conditions - All Electric Transportation Systems

This paper studies the performance of a Permanent Magnet (PM) alternating-current (AC) machine when subjected to faults under load conditions. The effect of varying load torques, and unbalances are found to be potential causes of rotor faults, inducing physical magnet defects or broken rotor-PMs. The consequent and immediate impact on the machine quantities is observed through anomalous change in torque-speed characteristics and other vital signatures such as machine back-EMF/flux and motor current signatures (MCS). The present research study develops and illustrates a method to diagnose physical magnet defects (fault) in PMAC machines by estimating the machine torque/back-EMF constant, Ke. The constant Ke is a measure of magnet strength exhibiting the health of rotor PMs, indicative of faults. Advanced research studies and investigations are carried out to establish motor approximations and signature-based analysis as significant viable tools for diagnosing machine faults even under load conditions.

alternating current↗
DOE OSTI2020

Conceptual Design and Performance Considerations for Superconducting Magnets in the Material Plasma Exposure eXperiment

An important step toward the advent of nuclear fusion as a future power source is the development of plasmafacing materials that can function as designed for a long period of time. While ITER and other devices including Wendelstein 7-X and the Joint European Torus will provide insight into divertor and first wall performance, a dedicated device to advance the understanding of material performance in the representative plasma environments is needed. The Material Plasma Exposure eXperiment has been proposed as a linear plasma device to generate and to direct fusion reactor-like plasma energy and particle flux at the target materials with electron temperatures of 1-15 eV and electron densities of 10 20 -10 21 m -3 . Given that the requirements for radio frequency (RF) heating on-axis field are no greater than 2.5 T and the warm bore diameters must be between 60 cm and 1.5 m, the conceptual design was developed for the experiments on a set of superconducting magnets carried out using commercially available NbTi superconductors. This conceptual design evaluated the cryogenic heat loads, mechanical loads, and quench protection to ensure that the current design is compatible with current technologies. In addition, an alternative evaluation of this design relative to ReBCO high-temperature superconducting magnets determined the conditions under which these technologies could be advantageous.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Nonlinear Transverse Cascade and Sustenance of MRI Turbulence in Keplerian Disks with an Azimuthal Magnetic Field

We investigate magnetohydrodynamic turbulence driven by the magnetorotational instability (MRI) in Keplerian disks with a nonzero net azimuthal magnetic field using shearing box simulations. As distinct from previous studies, we analyze turbulence dynamics in Fourier (k-) space to understand its sustenance. The linear growth of the MRI with the azimuthal field has a transient character and is anisotropic in Fourier space, leading to anisotropy of nonlinear processes in Fourier space. As a result, the main nonlinear process appears to be a new type of angular redistribution of modes in Fourier space—the nonlinear transverse cascade—rather than the usual direct/inverse cascade. We demonstrate that the turbulence is sustained by the interplay of the linear transient growth of the MRI (which is the only energy supply for the turbulence) and the transverse cascade. These two processes operate at large length scales, comparable to the box size (disk scale height); the corresponding small wavenumber area, called the vital area in Fourier space, is crucial for the sustenance, while outside the vital area, direct cascade dominates. The interplay of the linear and nonlinear processes in Fourier space is generally too intertwined for a vivid schematization. Nevertheless, we reveal the basic subcycle of the sustenance that clearly shows the synergy of these processes in the self-organization of the magnetized flow system. This synergy is quite robust and persists for the considered different aspect ratios of the simulation boxes. The spectral characteristics of the dynamical processes in these boxes are qualitatively similar, indicating the universality of the sustenance mechanism of the MRI turbulence.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Gradient Technique Theory: Tracing Magnetic Field and Obtaining Magnetic Field Strength

Abstract The gradient technique is a promising tool with theoretical foundations based on the fundamental properties of MHD turbulence and turbulent reconnection. Its various incarnations use spectroscopic, synchrotron, and intensity data to trace the magnetic field and measure the media magnetization in terms of Alfvén Mach number. We provide an analytical theory of gradient measurements and quantify the effects of averaging gradients along the line of sight and over the plane of the sky. We derive analytical expressions that relate the properties of gradient distribution with the Alfvén Mach number M A . We show that these measurements can be combined with measures of sonic Mach number or line broadening to obtain the magnetic field strength. The corresponding technique has advantages to the Davis–Chandrasekhar–Fermi way of obtaining the magnetic field strength.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Data for "Integrated ab initio modelling of atomic order and magnetic anisotropy for rare-earth-free magnet design: effects of alloying additions in L1 0 FeNi."

We describe an integrated modelling approach to accelerate the search for novel, single-phase, multicomponent materials with high magnetocrystalline anisotropy (MCA). For a given system we predict the nature of atomic ordering, its dependence on the magnetic state, and then proceed to describe the consequent MCA, magnetisation, and magnetic critical temperature (Curie temperature). Crucially, within our modelling framework, the same ab initio description of a material’s electronic structure determines all aspects. We demonstrate this holistic method by studying the effects of alloying additions in FeNi, examining systems with the general stoichiometries Fe 4 Ni 3 X and Fe 3 Ni 4 X, for additives including X = Pt, Pd, Al, and Co. The atomic ordering behaviour predicted on adding these elements, fundamental for determining a material’s MCA, is rich and varied. Equiatomic FeNi has been reported to require ferromagnetic order to establish the tetragonal L1 0 order suited for significant MCA. Our results show that when alloying additions are included in this material, annealing in an applied magnetic field and/or below a material’s Curie temperature may also promote tetragonal order, along with an appreciable effect on the predicted hard magnetic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Effect of Mg Content in Melt-Spun Mn–Bi–Mg–Sb–In Alloys on the Structure and Properties of Field-Annealed Magnets

Mn-Bi alloys modified with Mg and other elements were recently developed into promising rare-earth-free permanent magnets through successive melt-spinning, warm compaction, and short magnetic-field annealing. This letter reports herein on the crystal structures, texture, and magnetic properties observed in Mn 50 Bi 49-x Mg x Sb 0.5 In 0.5 alloys (x = 0, 1.5, 3.0, 4.5) throughout these processing steps. The Mg substitution favors MnBi-based intermetallic phases over the Bi- and Mn-based solid solutions and the stable α intermetallic phase over the metastable β' intermetallic phase. Magnesium increases the c/a ratio of the α phase lattice parameters for all studied x values and it increases the degree of the field-annealing-induced texture for x ≤ 3. The effect of Mg on coercivity is explained as combination of a positive one via the α phase magnetocrystalline anisotropy and a negative one via the development of texture. The effect of the substitution on the maximum energy product additionally involves the decreasing density of the alloys; the optimum x is found to be ≈3. Additionally reported are the thermal properties of selected alloys. The mechanism of field-annealing effect on the coercivity is briefly discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Contributions of Magnetic Phases to the FORC Diagram in (NdDy)(FeCo)B Magnets

The relationship of the micromagnetic structure, the contributions of various crystalline phases and hysterons obtained by the first order reversal curves (FORC) method in sintered (NdDy)(FeCo)B magnets is discussed. The distribution map of parameters of magnetic hysteresis partial loops that allows the separation of various spin ensembles to the magnetization has been built.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Universal Electronic‐Structure Relationship Governing Intrinsic Magnetic Properties in Permanent Magnets

An electronic-structure-centered perspective is presented on permanent-magnet (PM) design, highlighting two key levers, that is, saturation magnetization (M s ), governed by 3d-band filling and exchange physics, and magnetocrystalline anisotropy energy (MAE), arising from spin-orbit coupling (SOC) on anisotropic orbital populations. Reviewing current practices, including DFT-based MAE/J ij extraction, atomistic-spin and micromagnetic modeling, and high-throughput machine learning (ML) pipelines, three bottlenecks limiting predictive discovery is identified that is i) electronic-structure accuracy for small MAE (sensitive to functional choice, Hubbard U, and many-body effects), ii) finite-temperature and kinetic realism (phonon/magnon renormalization, ordering kinetics), and iii) descriptor and multiscale decoupling (lack of SOC-weighted and orbital-resolved fingerprints). Deep dives into the electronic-structure of Nd─Fe─B and Fe─N show how these fingerprints govern magnetic performance, motivating DFT- and quantum-mechanics-based descriptors for discovery. Unbiased, structure-driven exploration, coupled with high-throughput simulations, ML, generative AI, and reasoning models, accelerates candidate identification and propagates insights across scales. Addressing supply-chain risks, on future needs of designing “critical-element-free” magnets with tailored microstructure and high energy products is emphasized. By integrating electronic fingerprints, AI reasoning, and multiscale modeling, a practical roadmap is provided for rare-earth-lean or rare-earth free, high-performance, sustainable PMs.

Singh, Prashant [Ames Laboratory, and Iowa State U↗
DOE OSTI2022

Kibble mechanism for electroweak magnetic monopoles and magnetic fields

The vacuum manifold of the standard electroweak model is a three-sphere when one considers homogeneous Higgs field configurations. For inhomogeneous configurations we argue that the vacuum manifold is the Hopf fibered three sphere and that this viewpoint leads to general criteria to detect electroweak monopoles and Z-strings. We extend the Kibble mechanism to study the formation of electroweak monopoles and strings during electroweak symmetry breaking. The distribution of magnetic monopoles produces magnetic fields that have a spectrum B λ ∝ λ –2 , where λ is a smearing length scale. Even as the magnetic monopoles annihilate due to the confining Z-strings, the magnetic field evolves with the turbulent plasma and may be relevant for cosmological observations.

nonperturbative effects↗
DOE OSTI2020

Electronic Structures and Magnetism of Zr-, Th-, and U-based Metal-Organic Frameworks (MOFs) by Density Functional Theory

Metal-organic frameworks (MOFs) have recently gained wide interest as candidate materials for nuclear waste immobilization. While the fundamental thermodynamic properties, such as the substitution energies determine the favorability of radionuclide sequestration by utilization of a MOF matrix, the studies of MOF electronic structure reveal the role of d-, and/or f-electrons on changes in physical properties of actinide-containing materials. We use density functional theory (DFT) calculations to investigate the electronic structures of Zr-, Th-, and U-MOFs, including their electronic band structures and, where appropriate, their magnetic properties. We employ various DFT methods including DFT+U, collinear spin-polarization, spin-orbit coupling, and different flavors of exchange-correlation functionals to assess the robustness to the specific exchange-correlation functional. Unlike the Zr-, and Th-MOFs, the U-MOF is found to be sensitive to electron localization and spin; hence we explore the magnetic structure of the U-MOF in further detail.

Metal-Organic Framework, MOF, Actinides, DFT↗
DOE OSTI2026

Interfacial magnetization enhancement and the perpendicularly magnetized component in Fe16N2 thin films

A detailed study of depth-resolved magnetization and microstructure of Fe16N2 thin films on MgO (001) and MgAl2O4 (001) substrates and Fe and Cr seed layers is presented. Two aspects of the magnetic properties of Fe16N2 thin films are discussed. First, magnetization enhancement at the interface is observed. Strain and nitrogen deficiency are discussed as possible interfacial mechanisms contributing to this enhancement. Second, the perpendicularly magnetized component (PMC) is identified in Fe16N2 thin films. Correlation with microstructural observations suggests that the PMC is associated with V-shaped grains that are not fully confined within the continuous Fe16N2 layer.

Hang, Xudong [University of Minnesota]↗
DOE OSTI2022

Structure and magnetism across the Sr 2- x Ba x NiOsO 6 phase diagram: Understanding magnetic superexchange between first and third row transition metal ions

The crystal chemistry and magnetism of compositions in the Sr 2-x Ba x NiOsO 6 phase diagram have been investigated to better understand the superexchange interactions between 3d and 5d transition metal ions. Compositions with x ​< ​1.35 crystallize with the double perovskite structure, while those with x ​> ​1.83 crystallize in a trigonal structure that is a cation ordered variant of the 6H hexagonal perovskite structure. The Sr-rich double perovskites undergo a cubic to tetragonal distortion upon cooling that is driven by out-of-phase octahedral tilting. The tetragonal distortion occurs upon cooling below 650 ​K in Sr 2 NiOsO 6 . The temperature of this transition decreases as the barium content increases and is completely suppressed for x ​≥ ​1.2. All compositions in the double perovskite region become spin glasses below T g ​≈ ​40 ​K, due to the competition between ferromagnetic Ni–Os and antiferromagnetic Ni–Ni and Os–Os superexchange interactions. The double perovskite compositions that are rich in barium, like Sr 0.8 Ba 1.2 NiOsO 6 show some signs of magnetic ordering in small clusters, but the presence of Ba/Sr disorder inhibits long-range magnetic order. Trigonal Ba 2 NiOsO 6 orders ferrimagnetically below T C ​= ​108 ​K. In conclusion, the magnetic structure of this compound contains ferromagnetic ~180° Ni–O–Os interactions and antiferromagnetic ~90° Ni–O–Os interactions, both in agreement with the Goodenough-Kanamori rules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Synthesis and magnetic performance of gadolinium powder produced with rotating disk atomization

Spherical powder is key for achieving good heat transfer and maintaining low pressure drop for heat transfer fluid in magnetocaloric regenerator. Obtaining relatively large spherical powder of rare earth metals that are extremely sensitive to oxygen is challenging. Comparing to gas atomization and plasma rotating electrode methods, rotating disk atomization (RDA) method is more robust for obtaining a small amount of powder with a short turn-around time, thereby, more suitable for research and development of new magnetocaloric materials. In this work, commercially bulk gadolinium was successfully atomized to produce spherical powder in the targeted 150–250 μm range. The obtained powder exhibited the expected magnetocaloric performance with a maximum change of magnetic entropy of 12.1 J/kg K and a maximum adiabatic temperature change of 12.8 K with an applied magnetic field of 7 T.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Is there an exact magnetic moment for charged particle motion in a time-dependent, homogeneous magnetic field?

The non-perturbative guiding-centre model provides an exact alternative to full-orbit simulations of charged particle dynamics in situations where traditional guiding-centre theory may fail. We demonstrate that the charged particle motion in a homogeneous, time-varying magnetic field is a solvable example of the non-perturbative guiding-centre model. This entails showing that the exact magnetic moment of Qin and Davidson can be constructed to be asymptotic to the adiabatic invariant series of Kruskal. In contrast to the perturbative invariant, the exact invariant contains information about parametric resonances. These resonances destroy the conservation of the usual magnetic moment over very long times. This refutes some previous claims about the all-time invariance of the magnetic moment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Firefly Algorithm Applied to Noncollinear Magnetic Phase Materials Prediction

In most noncollinear crystal magnets, the number of metastable states is quite large and any calculation that tries to predict the ground state can fall into one of the possible metastable phases. In this work, we generalize the population based meta-heuristic firefly algorithm to the problem of the noncollinear magnetic phase ground state prediction within density functional theory (DFT). We extend the different steps in the firefly algorithm to this specific problem by using polarized constrained DFT calculations, whereby using Lagrange multipliers the directions of the atom magnetic moments remain fixed. By locking the directions of the magnetic moments at each search iteration, the method allows one to explore the entire Born–Oppenheimer energy surface of existing and physically plausible noncollinear configurations present in a crystal. Finally, we demonstrate that the number of minima can be large, which restrains the use of exhaustive searches.

Algorithms↗