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At least 127 records · Page 7

Magnetic Nanoparticle Extraction of Lithium from Produced Waters - CRADA 483 (Final Report)

The demand for lithium in the energy production industry is expected to increase sharply, development of simple and cost-effective techniques for lithium production and recovery from various lithium sources is essential. In this project, core/shell magnetic nanoparticles were successfully designed to selectively extract lithium from aqueous lithium sources as an extension of Pacific Northwest National Laboratory’s magnetic nanofluid extraction technology. The core/shell magnetic nanoparticles are composed of manganese oxide-based lithium ion sieve shells, which allow selective lithium uptake from brines with multiple coexisting ions, over iron oxide cores, which can respond to external magnetic fields for effective recovery and reuse of adsorbents from a liquid. The synthesized lithium ion-sieves and core/shell magnetic nanoparticles were characterized using several techniques to reveal their crystallinity and morphology. The lithium uptake properties of the lithium ion-sieves and core/shell magnetic nanoparticles were evaluated in terms of lithium adsorption capacity, removal percentage, selectivity, and cycling performance in simulated and natural brines. Magnetic properties of the core/shell magnetic nanoparticles were tested by measuring magnetic saturation, and magnetic response of colloidal solutions containing the core/shell magnetic nanoparticles was tested with permanent magnets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Magnetic pair distribution function and half polarized neutron powder diffraction at the HB-2A powder diffractometer

Local magnetic order and anisotropy are often central for understanding fundamental behavior and emergent functional properties in quantum materials and beyond. Advances in neutron powder diffraction experiments and analysis tools now allow for quantitative determination. Here, we demonstrate this here with complementary total neutron scattering and polarized neutron measurements on the HB-2A neutron powder diffractometer at the High Flux Isotope Reactor (HFIR). In recent years, magnetic pair distribution function (mPDF) analysis has emerged as a powerful technique for probing local magnetic spin ordering of magnetic materials. This method can be broadly applied to any magnetic material but is particularly effective for studying systems with short-range magnetic order, such as materials with reduced dimensionality, geometrically frustrated magnets, thermoelectrics, multiferroics, and correlated paramagnets. Magnetic anisotropy often underpins the short-range order adopted. Half-polarized neutron powder diffraction (pNPD) can be used to determine the local susceptibility tensor on the magnetic sites to quantify the magnetic anisotropy. Combining the techniques of mPDF and pNPD can therefore provide valuable insights into local magnetic behavior. A series of measurements optimized for these techniques are presented as exemplar cases focused on frustrated materials where short-range order dominates, these include measurements to ultra-low temperature (<100 mK) not typically accessible for such experiments.

Half polarized neutron scattering

Magnetic properties of the frustrated spin-$\frac{1}{2}$ capped-kagome antiferromagnet (CsBr)Cu 5 V 2 O 10

Here, the structural and magnetic properties of a spin-$\frac{1}{2}$ averievite (CsBr)⁢Cu 5⁢ V 2 ⁢O 10 are investigated by means of temperature-dependent x-ray diffraction, magnetization, heat capacity, and 51 V nuclear magnetic resonance (NMR) measurements. The crystal structure (trigonal, $P\bar{3}$) features a frustrated capped-kagome lattice of the magnetic Cu 2+ ions. Magnetic susceptibility analysis indicates a large Curie-Weiss temperature of $\theta$ CW ≃ -175K. Heat capacity signals the onset of a magnetic long-range-order (LRO) at T N ≃21.5K at zero magnetic field due to the presence of significant inter-planer coupling in this system. The magnetic LRO below 27 K is further evident from the drastic change in the 51 V NMR signal intensity and rapid enhancement in the 51 V spin-lattice relaxation rate in a magnetic field of 6.3 T. The frustration index ƒ=|⁢$\theta$ CW ⁢|/⁢T N ≃ 8 ascertains strong magnetic frustration in this compound. From the high-temperature value of the 51 V NMR spin-lattice relaxation rate, the leading antiferromagnetic exchange interaction between the Cu 2+ ions is calculated to be J/k B ≃ 136K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND

Double Aperture HTS Dipole Magnet Model for the Persistent Current Operation

Particle accelerators use many different types of magnets. There is an interest in replacing rather low-field conventional resistive magnets with high-temperature superconducting (HTS) magnets. The main goal is to reduce operational expenses, which is critical during the continuously increasing cost of electricity. At Fermilab, several HTS accelerator magnets were built and successfully tested. The paper described a variant of the double-aperture dipole magnet that could be suitable for future Lepton Colliders. A single short-circuited HTS coil of 3.8 kA generates a homogeneous magnetic field of 57 mT in both magnet gaps of 84 mm. The short model magnet was designed, built, and successfully tested at liquid nitrogen temperature. This magnet works in a persistent current mode, which provides additional cost savings when used in particle storage rings operated at a stable magnetic field. The results of design, fabrication, and tests are presented and discussed. The magnet demonstrated a high magnetic field stability in both apertures, efficiency of correction coils, and primary powering circuit.

Kashikhin, Vladimir [Fermilab] (ORCID:000000017249

Evaluation of the Room Temperature Field Quality Measurements of HL-LHC MQXFA Magnet Assemblies

As a member of the multi-lab U.S. High Luminosity LHC Accelerator Upgrade Project (HL-LHC AUP), Lawrence Berkeley National Laboratory (LBNL) is assembling high-field Nb3Sn low-beta MQXFA quadrupole magnets for eventual installation at CERN as part of the HL-LHC upgrade. Each magnet undergoes room temperature magnetic measurements at two points during the assembly process: once after completion of the coil pack sub-assembly and once after the magnet is fully assembled and pre-loaded. Beyond its use to verify that each magnet assembly can meet operational requirements, the data from this two-stage measurement process allow for investigation into the impact of the pre-loading operation on field quality. Recent measurements on magnet rebuilds as well as exploratory coil pack reconfigurations also provide an opportunity to see in isolation the effects of changes to a magnet’s coil selection or coil layout. In this work, we present the magnetic measurement results of MQXFA magnets assembled or currently in process, focusing particularly on magnets with data corresponding to multiple builds, and discuss trends and insights which may be beneficial for the remaining MQXFA magnet production or for future Nb3Sn accelerator magnets.

Doyle, Jennifer [LBNL, Berkeley] (ORCID:0009000079

Project Title: Demonstration High Temperature Superconducting NonPlanar Stellarator Magnet with Advanced Manufactured Assemblies

This is the final report for the project “Demonstration High Temperature Superconducting Non- Planar Stellarator Magnet with Advanced Manufactured Assemblies”, funded by DOE, and performed by Type One Energy from September, 2020, to March 2024 involving the Fusion Technology Institute at the University of Wisconsin–Madison, the Plasma Science and Fusion Center (PSFC) at the Massachusetts Institute of Technology (MIT) and Commonwealth Fusion Systems (CFS) to design and fabricate the first non-planar HTS (REBCO) coil for a high-field stellarator based on the SPARC tokamak’s VIPER cable concept. Stellarators at high fields make high-temperature superconducting magnets necessary for a compact fusion device. But the asymmetric and non-planar nature of its components, especially the magnets make it difficult for scalable producibility. To address these challenges, two promising technologies have emerged: advanced manufacturing (AM) for the supporting plates for forming the magnets, and high-temperature superconducting (HTS) cables inside the plates. AM has advanced enough to produce stellarator components with the necessary geometric complexity, size, and the precision, leading to potentially significant reductions in production time, cost, and waste. The cost of HTS tape has decreased dramatically, and progress in HTS planar magnet development has reached a point where it can be proposed for application to complex 3D non-planar magnets. The main objective of this project is to develop, demonstrate and pre-commercialize a novel, non-planar HTS coil shape that remains superconducting to achieve production scalable reductions in time and cost and performance. The proposed technology is based on the novel concept of a precision sub-scale HTS nonplanar coil assembly. This project focuses on the design, fabrication, material optimization of cable design, and validation and demonstration of the high current carrying capability of superconducting magnets and their support in a complex 3D shape needed for application to stellarator magnetic plasma confinement. The specific objectives of this research program include: (1) The successful application of metal AM to build a precision sub-scale HTS nonplanar coil, (2) An HTS cable and cross-section design that can conform to the required nonplanar coil shape (bend radii as tight as 10-cm) and remains superconducting at an engineering current density of 1.35 kA/cm 2 at 77 K and 1 tesla at the conductor (5 kA in the cable). To achieve the above challenging goals, we have formed a multidisciplinary research team consisting of members from Type One Energy and UW-Madison, MIT PSFC and CFS with complementary skills and strong facilities. The team worked collaboratively on fundamental and applied research on the following three major technical areas: (1) Design, fabrication, and optimization of non-planar HTS Cable The ultimate goal of the project is to determine if commercial REBCO tapes and additive manufacturing can be used to fabricate high field (≥ 10T) non-planar coils with tight bending radii (≃ 100mm) and with a degradation of the critical current (Ic) smaller than 20% with respect to the expected performance. We started with shorter length cable to evaluate the scalability of the production process and eventually reached multiple turns for higher magnetic fields. Our findings suggest that a stellarator coil system of a relevant size, characterized by its asymmetric and non-planar components, can be fabricated using a formed cable in plate method. This system can be simulated using a large-scale modeling approach. The use of hybrid modeling 3 techniques will be pivotal in reducing the complexity of the model and in assessing expected performance in designs. (2) Modeling and simulation of the non-planar HTS Cable Multiphysics simulations are performed using the commercial software and are carried out in self-field conditions, involving 2D and 3D models and twisted around one slot of twist-pitched VIPER cable. Multiphysics simulations are mainly focused on the coil for the critical current evaluation, the magnetic field map, self-Lorentz forces and mechanical, and magnetothermal behavior and the quench dynamics. The detailed model and prediction of the superconducting performance of a stellarator-relevant demonstration cable from numerical simulations supports the results from the actual testing backing the results. A detailed description and results are provided in the later sections. (3) Design, fabrication, and optimization of support for the non-planar HTS Cable The team developed an additive manufactured (AM) coil positioning plate that formed into the required non-planar geometry (with bend radii as tight as 10-cm) and to acceptable tolerances required for a stellarator magnet: (+0.25-mm from ideal on dimensions of coil positioning plates and up to +1-mm from ideal for position of wound coil). The plate materials is also included in this selection process from fabrication and 3D printing perspective and commensurate with eventual application to a fusion reactor. From the cost effectiveness point of view, the HTS coil and plate has the potential to cost less than that made in conventional methods with less waste (<75% waste) reducing time (<50%) and cost (<50%), especially as the AM field matures. The application of advanced manufacturing in the construction of the support plates will also lead to cost reduction, as the cables can be easily replaced, thereby making the assembly modular. With such high primary cost and time savings, high current densities and magnetic field, the funded R&D work has validated the designs, proven the feasibility, and characterized the performance of the HTS coil and plate assembly, paving the way for a relevant-size stellarator coil system.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY

Physical properties and anisotropic magnetism of EuBi 2

We report the synthesis of EuBi 2 single crystals and their magnetic and electronic properties. Plate-like crystals were grown in excess bismuth, and X-ray diffraction data confirm the previously reported tetragonal space group, I 4 1 /amd (No. 141). A Néel temperature of T N = 18.6 K was determined from the specific heat data, and corresponding anomalies occur in the magnetization and resistivity. We only observe one magnetic transition in zero magnetic field. The magnetization data above 70 K are well described by a Curie-Weiss model with a Weiss temperature of Θ CW ≈ −35 K and an effective moment near that of the expected spin-only moment of Eu 2+ (S = 7/2). Isothermal magnetization measurements reveal field-induced transitions for H||[100], including a hysteretic spin-flop centered at 10.1 T and a change in slope at 12 T and 2 K. However, while the isothermal magnetization for H||[110] displays nonlinear behavior, discrete metamagnetic transitions are not observed for H||[110] or H||[001], indicating significant magnetic anisotropy. The magnetization does not saturate by 13.5 T for any orientation. EuBi 2 is metallic and our crystals possess an in-plane residual resistivity ratio of ⍴300 K/⍴2 K ≈ 40. Single crystal neutron diffraction data reveal a large magnetic unit cell and non-trivial antiferromagnetic ordering. These results demonstrate that strong antiferromagnetic coupling drives complex magnetism in EuBi 2 .

36 MATERIALS SCIENCE

Advances in relaxation and memory effects of magnetic nanoparticles for biomedical applications

Functionalized magnetic nanoparticles are pivotal in magnetic resonance imaging, computed tomography, controlled drug delivery, and hyperthermia treatments due to their exceptional magnetic relaxation and functional properties. The magnetic core composition and structure significantly affects the complex magnetic properties of these nanoparticles necessitating a thorough examination of magnetism fundamentals related to these systems. One important aspect is the ability of magnetic nanoparticles to retain previous magnetic state configurations known as memory effect, primarily governed by domain structure and magnetic anisotropy. Despite its relevance to advanced applications, comprehensive studies on magnetic relaxation and memory effects remain limited. Here, the present review aims to bridge this gap by investigating relaxation mechanisms, synthesis strategies, and applications, fostering further innovation. It investigates the memory effects and their dependence on particle composition and morphology along with key synthesis techniques for large-scale production in industrial adoption. Structured into focused sections on magnetic properties and their influence on biomedical and technological applications, this review provides essential insights into memory effects, magneto-relaxation mechanisms, influencing factors, and both experimental and theoretical methodologies. It also delves into computational modelling and AI-driven design, which are revolutionizing the prediction, discovery, and optimization of materials with tailored properties.

36 MATERIALS SCIENCE

Giant Modulation of Magnetoresistance in a Van Der Waals Magnet by In‐Plane Current Injection

Efficient magnetization control is a central issue in magnetism and spintronics. Particularly, there are increasing demands for manipulation of magnetic states in van der Waals (vdW) magnets with unconventional functionalities. However, the electrically induced phase transition between ferromagnetic-to-antiferromagnetic states without external magnetic field is yet to be demonstrated. Here, the current-induced magnetic phase transition in a vdW ferromagnet Fe 5 GeTe 2 is reported. Based on magneto-transport measurements and theoretical analysis, it is demonstrated that transition in the interlayer magnetic coupling occurs through vertical voltage drop between layers induced by current which is attributed to high anisotropy of the resistivity caused by the vdW gaps. Such magnetic phase transition results in giant modulation of the longitudinal magnetoresistance from 5% to 170%. The electrical tunability of the magnetic phase in Fe 5 GeTe 2 with current-in-plane geometry opens a path for electric control of magnetic properties, expanding the ability to use vdW magnets for spintronic applications.

2D magnet

Controlling Noncollinear Ferromagnetism in van der Waals Metal–Organic Magnets

Van der Waals (vdW) magnets both allow exploration of fundamental 2D physics and offer a route toward exploiting magnetism in next generation information technology, but vdW magnets with complex, noncollinear spin textures are currently rare. We report here the syntheses, crystal structures, magnetic properties and magnetic ground states of four bulk vdW metal–organic magnets (MOMs): FeCl 2 (pym), FeCl 2 (btd), NiCl 2 (pym), and NiCl 2 (btd), pym = pyrimidine and btd = 2,1,3-benzothiadiazole. Using a combination of neutron diffraction and bulk magnetometry we show that these materials are noncollinear magnets. Although only NiCl 2 (btd) has a ferromagnetic ground state, we demonstrate that low-field hysteretic metamagnetic transitions produce states with net magnetization in zero-field and high coercivities for FeCl 2 (pym) and NiCl 2 (pym). By combining our bulk magnetic data with diffuse scattering analysis and broken-symmetry density-functional calculations, we probe the magnetic superexchange interactions, which when combined with symmetry analysis allow us to suggest design principles for future noncollinear vdW MOMs. These materials, if delaminated, would prove an interesting new family of 2D magnets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Imaging nanomagnetism and magnetic phase transitions in atomically thin CrSBr

Since their first observation in 2017, atomically thin van der Waals (vdW) magnets have attracted significant fundamental, and application-driven attention. However, their low ordering temperatures, T c , sensitivity to atmospheric conditions and difficulties in preparing clean large-area samples still present major limitations to further progress, especially amongst van der Waals magnetic semiconductors. The remarkably stable, high-T c vdW magnet CrSBr has the potential to overcome these key shortcomings, but its nanoscale properties and rich magnetic phase diagram remain poorly understood. Here we use single spin magnetometry to quantitatively characterise saturation magnetization, magnetic anisotropy constants, and magnetic phase transitions in few-layer CrSBr by direct magnetic imaging. We show pristine magnetic phases, devoid of defects on micron length-scales, and demonstrate remarkable air-stability down the monolayer limit. We furthermore address the spin-flip transition in bilayer CrSBr by imaging the phase-coexistence of regions of antiferromagnetically (AFM) ordered and fully aligned spins. Our work will enable the engineering of exotic electronic and magnetic phases in CrSBr and the realization of novel nanomagnetic devices based on this highly promising vdW magnet.

36 MATERIALS SCIENCE

Voltage-induced magnetic domain evolution in a phase-change material

Applying voltage to metal–insulator transition (MIT) materials allows electrical actuation of the local electronic phase state. In MIT systems that have the electronic order coupled with the magnetic order, voltage switching of the electronic phase state can also enable the electrical manipulation of magnetic properties. In this work, we utilized x-ray magnetic circular dichroism photoemission electron microscopy (XMCD-PEEM) to investigate the control of magnetic domain configurations in ferromagnetic MIT electrical switches. For applied voltages above a threshold value, the XMCD-PEEM images show that the magnetic domains separate into two distinct regions: one with a high contrast (white/black), indicating well-defined micrometer-scale magnetic domains with a component of their magnetization aligned parallel/antiparallel to the x-ray helicity, and the other with different shades of intermediate contrast (gray). Significant changes in magnetic domain configurations upon voltage biasing were only observed in these gray regions. Furthermore, the voltage-induced magnetic domain separation was found to be bias polarity-dependent, with the gray regions expanding from the opposite sample edge when the applied voltage polarity was reversed. This polarity-dependent electrical control of magnetic domain configurations during the MIT switching opens alternative opportunities in memory applications for magnetic MIT switching materials.

42 ENGINEERING

Hot-spot model for inertial confinement fusion implosions with an applied magnetic field

Imposing a magnetic field on inertial confinement fusion implosions magnetizes the electrons in the compressed fuel; this suppresses thermal losses, which increases temperature and fusion yield. Indirect-drive experiments at the National Ignition Facility with 12 and 26 T applied magnetic fields demonstrate up to 40% increase in temperature, 3× increase in fusion yield, and indicate that magnetization alters the radial temperature profile [Moody et al., Phys. Rev. Lett. 129, 195002 (2022); Lahmann et al., APS DPP (2022)]. In this work, we develop a semi-analytic hot-spot model, which accounts for the two-dimensional (2D) Braginskii anisotropic heat flow due to an applied axial magnetic field. First, we show that hot-spot magnetization alters the radial temperature profile, increasing the central peakedness, which is most pronounced for moderately magnetized implosions (with 8–14 T applied field), compared to both unmagnetized (with no applied field) and highly magnetized (with 26 T or higher applied field) implosions. This model explains the trend in the experimental data, which finds a similarly altered temperature profile in the 12 T experiment. Next, we derive the hot-spot model for gas-filled (Symcap) implosions, accounting for the effects of magnetization on the thermal conduction and in changing the radial temperature (and density) profiles. Using this model, we compute predicted central temperature amplification and yield enhancement scaling with the applied magnetic field. The central temperature fits the experimental data accurately, and the discrepancy in the yield suggests a systematic (independent of applied field) degradation, such as mix, and additional degradation in the reference unmagnetized shot, such as reduced laser drive, increased implosion asymmetry, or the magnetic field suppressing ablator mixing into the hot-spot.

Alpha particles

Low-dimensional metal–organic frameworks: a pathway to design, explore and tune magnetic structures

Here, the magnetic structure adopted by a material relies on symmetry, the hierarchy of exchange interactions between magnetic ions and local anisotropy. A direct pathway to control the magnetic interactions is to enforce dimensionality within the material, from zero-dimensional isolated magnetic ions, one-dimensional (1D) spin-chains, two-dimensional (2D) layers to three-dimensional (3D) order. Being able to design a material with a specific dimensionality for the phenomena of interest is non-trivial. While many advances have been made in the area of inorganic magnetic materials, organic compounds offer distinct and potentially more fertile ground for material design. In particular magnetic metal–organic frameworks (mMOFs) combine magnetism with non-magnetic property functionality on the organic linkers within the structural framework, which can further be tuned with mild perturbations of pressure and field to induce phase transitions. Here, it is examined how neutron scattering measurements on mMOFs can be used to directly determine the magnetic structure when the magnetic ions are in a 2D layered environment within the wider 3D crystalline framework. The hydrated formate, in deuterated form, Co(DCOO) 2 ·2D 2 O, which was one of the first magnetic MOFs to be investigated with neutron diffraction, is reinvestigated as an exemplar case.

magnetism

Initial Development of Fusion Magnet Simulation Capabilities for Performance and Safety Evaluation Using the MOOSE Framework

Fusion energy holds the promise of being a transformative technology as a carbon-neutral, sustainable source of energy. Whole device modeling and the development of fusion digital twins will be increasingly important for emerging fusion device concepts at both national laboratories and within the commercial fusion industry. However, meeting the challenge of whole device modeling of fusion energy devices requires robust, multiphysics, multiscale modeling and simulation technologies capable of running on large-scale supercomputers. Detailed analysis of individual systems at-scale is also required to ensure safe and efficient operation as well as provide the safety basis for future device designs and licensing activities. In a tokamak, toroidal and poloidal magnets confine and shape the fusion plasma to promote the fusion reaction. High plasma temperatures and high magnetic field requirements in modern design concepts (leading to high amounts of energy stored within each magnet) impose electrical, thermal, and mechanical loads on the magnet components, which in turn impacts the safety considerations of the magnet and their supporting systems. Idaho National Laboratory (INL) has a history of working in this space, including development and benchmarking of the Magnetic System Circuitry Analysis Program (MSCAP) and Magnet Arcing (MAGARC) codes to study magnet quench events; notably, MAGARC was used to study quenching during the ITER Engineering Design Activity. However, these legacy codes and capabilities are not parallel and scalable, and new tools are required for future advances in this area, which leads to the INL-developed Multiphysics Object-Oriented Simulation Environment (MOOSE) framework. Developed originally for fission reactor systems under United States Department of Energy, Office of Nuclear Energy modeling and simulation programs, the MOOSE framework has been well-suited to multiscale, multiphysics modeling and simulation needs for nuclear systems. The framework is open-source, well-tested, under continuous development and deployment, and developed to a Nuclear Quality Assurance, Level 1 software quality standard. MOOSE has also been used in the fusion space previously in several projects: INL’s Tritium Migration Analysis Program, Version 8 (TMAP8) for tritium migration, UK Atomic Energy Authority’s A Unified Resource for OpenMC (fusion) Reactor Applications (AURORA) code for fusion thermo-mechanical and neutronics analysis, and Argonne National Laboratory’s Cardinal for high-fidelity computational fluid dynamics and neutronics. However, to model superconducting magnets, several MOOSE enhancements are required: additions to the current MOOSE electromagnetic capabilities, new material libraries for superconductors of interest (such as YBCO), as well as fusion-specific models for thermo-mechanics. This talk will discuss initial development activities to build these capabilities in MOOSE, focusing on initial validation and benchmarking activities. Proposed coupling workflows and future work to support the simulation of fusion magnets and magnet structural assemblies for performance and safety evaluation in MOOSE will also be discussed.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY

Extrusion compression molded critical rare earth free bonded permanent magnets

Samarium iron nitride (Sm-Fe-N) bonded magnets have emerged as promising candidates for various industrial applications due to their exceptional magnetic properties. Compounds with magnetic material 95 wt fraction (wt.%) (∼74 vol%) and 97 wt.% (∼81 vol%) of SmFeN in a polyamide (PA12) polymer binder are manufactured using a batch mixer followed by compression molding. A maximum energy product ( BH ) max of 186.21 kJ.m -3 (23.4 MGOe) is achieved in the 95 wt.% bonded magnets; 97 wt.% magnets had a ( BH ) max of 165.52 kJ.m -3 (20.8 MGOe). It is found that the degree of alignment (DoA) of 99 % is achieved in the 95 wt.% magnets, whereas the 97 wt.% magnets are limited to a DoA of 90 % respectively. The high DoA can be attributed to low particle-particle interaction during the post-magnetic field alignment process. Finally, this research provides a useful insight of binder-particle interactions at very high magnet weight fractions and their effect on magnetic strength and performance.

36 MATERIALS SCIENCE

High-performance permanent-magnet materials based on CeFe 12

We perform first-principles calculations on the Mo/Zr-alloyed ThMn 12 -structure prototype CeFe 12 to explore its electronic and magnetic properties and potential for permanent magnet applications. A recent experiment has shown that the Mo/Zr-alloyed CeFe 12 phase with the symmetry 𝐼⁢4/𝑚⁢𝑚⁢𝑚 can be stabilized in bulk. It encourages an investigation into the intrinsic magnetic characteristics of the base structure CeFe 12 and the effect of transition metal alloying in it. Our calculations reveal that the base structure prototype CeFe 12 in its tetragonal phase exhibits uniaxial magnetic anisotropy with a magnetic anisotropy energy (𝐾 1 ) ∼ 1 MJ/m −3 and a substantial magnetic moment of ∼ 1.8T, showing its promise as a permanent magnet. The introduction of the stabilizing transition metals Zr, Mo, and W reduces these values but still keeps the materials very promising. Notably, when 50% of Ce is substituted by Sm in Mo-alloyed CeFe 12 , the 𝐾 1 is significantly enhanced, accompanied by a fairly decent magnetic moment of ∼ 1.2T. These findings establish this alloy as a strong candidate for high-performance permanent magnet applications. In conclusion, this study emphasizes the importance of strategic element substitution and site selection in transition metal-alloyed CeFe 12 to achieve both structural stability and remarkable magnetic properties.

Density of states

Pressure-Stabilized MnSb2 with Complex Incommensurate Magnetic Order

Marcasite-type compounds have been proposed as promising hosts of exotic magnetic quantum states, yet experimental realizations in stoichiometric, disorder-free systems remain limited. Here, we report the high-pressure stabilization and magnetic characterization of MnSb2, a marcasite-type compound that is thermodynamically metastable under ambient pressure. Single crystals were synthesized using a cubic multianvil press at 3.3 GPa and 490 °C for 24 h, and powder and single-crystal X-ray diffraction confirm the orthorhombic Pnnm structure. These crystals are stable at ambient pressure for a long time up to between 450 and 500 K. Heat-capacity measurements reveal phase transitions at approximately T0 ∼ 118 K and T1 ∼ 220 K. Neutron diffraction uncovers an unconventional magnetic state below T1 ∼ 220 K. Magnetic powder neutron diffraction refinements reveal possible multiple magnetic configurations that provide comparably acceptable fits to the experimental data. While most solutions are consistent with a spin-density-wave (SDW) description, helical models systematically yield inferior agreement factors. Across a broad range of models, the Mn ordered moment reaches a maximum value of approximately 2 μB and remains predominantly collinear, with minimal canting along the c-axis. At 200 K, the magnetic propagation vector is q = (0, 0.3975, 0.3783); upon cooling, the b component increases toward 0.5, reflecting a temperature-dependent evolution of the modulation. The need for modification of the magnetic model between high and low temperatures further highlights the complex and strongly temperature-dependent nature of the magnetic order in this system. These results establish MnSb2 as a pressure-stabilized marcasite magnet with a tunable, complex magnetic state and a compelling stoichiometric platform for exploring unconventional magnetic behavior, including potential altermagnetism.

Xu, Mingyu [Michigan State University , , , ,; Iow