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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Advanced magnetic X-ray spectro-microscopies to characterize mesoscopic magnetic materials

Here, this article provides a brief overview of advanced magnetic X-ray spectro-microscopies that are widely used in characterizing mesoscopic magnetic materials. Common to those techniques are various X-ray magnetic dichroism effects that are used as magnetic contrast mechanism. A particular interest is to use those techniques to image the underlying microscopic spin structures in magnetic materials with high spatial resolution and to ultimately resolve their full 3D mesoscale characteristics with elemental sensitivity, as well as their ultrafast dynamics upon excitations with field and current pulses. Recent research examples using various magnetic X-ray spectro-microscopies are presented to showcase their specific features with a focus on imaging novel topological spin textures, such as vortices, skyrmions and Hopfions, which are considered as potential building blocks towards low power, high-speed and high-density magnetic devices that could transform information technologies and potentially be used in biomedical applications. Future developments with magnetic X-ray spectro-microscopies harness the full coherence of next generation X-ray sources and could open the path towards single shot imaging with spatial and temporal resolutions down to fundamental magnetic length and time scales.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Magnetic material including α″-Fe16(NxZ1-x)2 or a mixture of α″-Fe16Z2 and α″-Fe16N2, where Z includes at least one of C, B, or O

A magnetic material may include α″-Fe16(NxZ1-x)2 or a mixture of α″-Fe16N2 and α″-Fe16Z2, where Z includes at least one of C, B, or O, and x is a number greater than zero and less than one. In some examples, the magnetic material including α″-Fe16(NxZ1-x)2 or a mixture of α″-Fe16N2 and α″-Fe16Z2 may include a relatively high magnetic saturation, such as greater than about 219 emu/gram, greater than about 242 emu/gram, or greater than about 250 emu/gram. In addition, in some examples, the magnetic material including α″-Fe16(NxZ1-x)2 or a mixture of α″-Fe16N2 and α″-Fe16Z2 may include a relatively low coercivity. Techniques for forming the magnetic material are also described.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Applied magnetic field synthesis and processing of iron nitride magnetic materials

Techniques are disclosed concerning applied magnetic field synthesis and processing of iron nitride magnetic materials. Some methods concern casting a material including iron in the presence of an applied magnetic field to form a workpiece including at least one ironbased phase domain including uniaxial magnetic anisotropy, wherein the applied magnetic field has a strength of at least about 0.01 Tesla (T). Also disclosed are workpieces made by such methods, apparatus for making such workpieces and bulk materials made by such methods.

Wang, Jian-Ping↗
DOE OSTI2015

Correlation between charge transfer and exchange coupling in carbon-based magnetic materials

Several forms of carbon-based magnetic materials, i.e. single radicals, radical dimers, and alternating stacks of radicals and diamagnetic molecules, have been investigated using density-functional theory with dispersion correction and full geometry optimization. Our calculated results demonstrate that the C{sub 31}H{sub 15} (R{sub 4}) radical has a spin of ½. However, in its [R{sub 4}]{sub 2} dimer structure, the net spin becomes zero due to antiferromagnetic spin-exchange between radicals. To avoid antiferromagnetic spin-exchange of identical face-to-face radicals, eight alternating stacks, R{sub 4}/D{sub 2m}/R{sub 4} (with m = 3-10), were designed. Our calculated results show that charge transfer (Δn) between R{sub 4} radicals and the diamagnetic molecule D{sub 2m} occurs with a mechanism of spin exchange (J) in stacks. The more electrons that transfer from R{sub 4} to D{sub 2m}, the stronger the ferromagnetic spin-exchange in stacks. In addition, our calculated results show that Δn can be tailored by adjusting the electron affinity (E{sub a}) of D{sub 2m}. The correlation between Δn, E{sub a}, m, and J is discussed. These results give some hints for the design of new ferromagnetic carbon-based materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Block copolymer self-assembly derived mesoporous magnetic materials with three-dimensionally (3D) co-continuous gyroid nanostructure

Magnetic nanomaterials are gaining interest for their many applications in technological areas from information science and computing to next-generation quantum energy materials. While magnetic materials have historically been nanostructured through techniques such as lithography and molecular beam epitaxy, there has recently been growing interest in using soft matter self-assembly. In this work, a triblock terpolymer, poly(isoprene-block-styrene-block-ethylene oxide) (ISO), is used as a structure directing agent for aluminosilicate sol nanoparticles and magnetic material precursors to generate organic–inorganic bulk hybrid films with co-continuous morphology. After thermal processing into mesoporous materials, results from a combination of small angle X-ray scattering (SAXS) and scanning electron microscopy (SEM) are consistent with the double gyroid morphology. Nitrogen sorption measurements reveal a type IV isotherm with H1 hysteresis, and yield a specific surface area of around 200 m 2 g −1 and an average pore size of 23 nm. The magnetization of the mesostructured material as a function of applied field shows magnetic hysteresis and coercivity at 300 K and 10 K. Comparison of magnetic measurements between the mesoporous gyroid and an unstructured bulk magnetic material, derived from the identical inorganic precursors, reveals the structured material exhibits a coercivity of 250 Oe, opposed to 148 Oe for the unstructured at 10 K, and presence of remnant magnetic moment not conventionally found in bulk hematite; both of these properties are attributed to the mesostructure. This scalable route to mesoporous magnetic materials with co-continuous morphologies from block copolymer self-assembly may provide a pathway to advanced magnetic nanomaterials with a range of potential applications.

Chemistry↗
DOE OSTI2020

Laminated magnetic materials for on-chip magnetic inductors/transformers

A technique relates to a method of forming a laminated multilayer magnetic structure. An adhesion layer is deposited on a substrate. A magnetic seed layer is deposited on top of the adhesion layer. Magnetic layers and non-magnetic spacer layers are alternatingly deposited such that an even number of the magnetic layers is deposited while an odd number of the non-magnetic spacer layers is deposited. The odd number is one less than the even number. Every two of the magnetic layers is separated by one of the non-magnetic spacer layers. The first of the magnetic layers is deposited on the magnetic seed layer, and the magnetic layers each have a thickness less than 500 nanometers.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Laminated magnetic materials for on-chip magnetic inductors/transformers

A technique relates to a method of forming a laminated multilayer magnetic structure. An adhesion layer is deposited on a substrate. A magnetic seed layer is deposited on top of the adhesion layer. Magnetic layers and non-magnetic spacer layers are alternatingly deposited such that an even number of the magnetic layers is deposited while an odd number of the non-magnetic spacer layers is deposited. The odd number is one less than the even number. Every two of the magnetic layers is separated by one of the non-magnetic spacer layers. The first of the magnetic layers is deposited on the magnetic seed layer, and the magnetic layers each have a thickness less than 500 nanometers.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Theoretical framework for new magnetic materials for quantum computing and information storage. Final report for the Award No. DE-SC0018910

The focus of this grant was on molecular magnetic materials for information storage and quantum computing. We have been developing robust, first-principle methods for computing relevant electronic and magnetic properties of molecular building blocks (SMMs) of novel magnetic materials and quantum computers. These tools enable theoretical modeling of SMMs’ behavior, facilitating the interpretation of experimental studies and aiding the design of novel magnetic materials. Our strategy is based on the spin-flip (SF) approach, which extends the hierarchy of black-box single-reference methods to strongly correlated systems. Specifically, we developed general scalable algorithms and computer codes for calculating molecular properties, with an emphasis on spin-related properties, such as zero-field splittings, hyperfine couplings, and g-tensors. While our primary focus was on SF wave functions and SF-TDDFT, the underlying theory and computer codes were formulated using reduced density matrices, such that these tools are applicable to a broader class of methods. To extend the scope of applicability of wave-function-based SF methods to larger systems, we developed reduced-scaling approaches for the equation-of-motion coupled-cluster (EOM-CC) methods and continue developing libtensor (our open-source general tensor contraction library for many-body methods). We carried out extensive benchmarks and also carried out several applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Flux Switching Permanent Magnet Motor with Metal Amorphous Nanocomposite Soft Magnetic Material and Rare Earth Free Permanent Magnets

The power losses in high power-density motors due to high rotational speed and/or high pole counts may be reduced adopting metal amorphous nanocomposites (MANCs) featuring low power loss and a relatively high flux density (~1.3 T). We recently proposed a flux switching permanent magnet (FSPM) motor with a rating of 2.5 kW at 1400 Hz electrical speed by incorporating low loss (< 3 W/kg at 1 kHz) FeNi-based MANC material with projected iron loss of about 5 W. The motor design allows use of rare earth-free permanent magnets. For incorporation of MANC materials, an axial flux motor where the rotor and stator core are made from a wound ribbon core has been developed. We have performed a 3-d FEA to optimize the design and built and tested a prototype demonstrating that the low loss MANC material can be used for motor applications.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Chemical dismantling of permanent magnet material and battery material

Certain method embodiments are described and useful for recycling permanent magnet materials (e.g. permanent magnet alloys) and battery materials (e.g. battery electrode materials) to extract critical and/or valuable elements including REEs, Co and Ni. Method embodiments involve reacting such material with at least one of an ammonium salt and an iron (III) salt to achieve at least one of a liquid phase chemical reaction and a mechanochemical reaction.

Balema, Viktor↗
DOE OSTI2023

Physics-Informed Machine-Learning Prediction of Curie Temperatures and Its Promise for Guiding the Discovery of Functional Magnetic Materials

High-performance permanent magnets with a high Curie temperature, containing less critical materials, are integral to zero-carbon energy solutions. We built a machine-learning model trained over available experimentally measured Curie temperature values to predict the T C of multicomponent magnetic materials. We chose two compositions from a pseudo-binary (Zr 1–x Ce x )Fe 2 system, namely, (Zr 0.16 Ce 0.84 )Fe 2 and (Zr 0.94 Ce 0.06 )Fe 2 , to experimentally validate the ability of our model to predict the Curie temperature of novel compounds. We also provided a detailed discussion on the correlation of the Curie temperature with the de Gennes scaling factor in rare-earth intermetallic compounds and its breakdown below a certain rare-earth content. The electronic structure calculations (density of states and Fermi surface) were performed using the density functional theory on selected compounds (Zr 0.16 Ce 0.84 )Fe 2 and (Zr 0.94 Ce 0.06 )Fe 2 to understand the electronic origin of a strong magnetic exchange. We found that the change in the electronic density of states and electron/hole fillings at the Fermi level directly correlate with the Curie temperature. Notably, our model was able to capture these key electronic structure trends, which show that physics-informed machine learning can play a crucial role in designing new high-performance magnets with improved properties for environmentally sustainable applications.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Estimation of volume-weighted average grain size in Fe-based nanocrystalline soft magnetic materials by autocorrelation function

Highlights: • Normalized ACF of TEM images estimates the volume-weighted average grain size. • Grain size estimation by normalized ACF shows good accuracy and time efficiency. • Normalized ACF can reveal grain size difference in different areas of a TEM sample. • Normalized ACF helps modelling of grain size distributions in Fe-B nanostructures. - Abstract: The coercivity of Fe-based nanocrystalline soft magnetic materials depends critically on the grain size of bcc-Fe grains. Accurately estimating the volume-weighted mean grain size is extremely important to develop new Fe-based nanocrystalline soft magnetic materials with low coercivity. This article shows that autocorrelation analysis of dark-field transmission electron microscope (TEM) images provides a very good estimation of bcc-Fe grain size in nanocrystalline soft magnetic materials. This method can be used to efficiently estimate the volume-weighted average grain size from multiple TEM images with much less inherent bias than manual measurement techniques. The estimated grain sizes show good consistency to the grain sizes estimated by X-ray diffraction (XRD) and manual measurement. In contrast to XRD, this method can also reveal the differences in grain size from different micron-sized regions of a sample.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Cleavable magnetic materials from van der Waals layered transition metal halides and chalcogenides

The study of exfoliated 2D magnetic materials is a vibrant and rapidly progressing field and is impacting many areas of condensed matter research including fundamental magnetism, spintronics and optoelectronics, and topological spin and electronic systems. The availability of promising candidate materials has enabled much of the progress in this field. Here, I present my perspective on the development of cleavable magnetic materials with a focus on transition metal halides and chalcogenides and an emphasis on crystal structure and magnetic order. To give proper context for these discussions, brief and incomplete surveys of recent work are included, focusing on specific aspects that I find most useful for guiding work on emerging materials and motivating expansion into other compounds and material families. Several instances of structural changes that can differentiate behaviors of bulk and ultrathin specimens are noted. Probing and understanding potential structural differences present a challenge but also an opportunity for material and device development, if they can be predicted and controlled. It is clear that careful investigations of structure, layer stacking, and defects in materials, how they may relate to the crystal chemistry, and how they may be different in crystals and mono- or few-layer specimens provide invaluable context for understanding the behavior of van der Waals layered magnetic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Magnetic Materials Characterization and Modeling for the Enhanced Design of Magnetic Shielding of Cryomodules in Particle Accelerators

Particle accelerators produce beams of high-energy particles, which are used for both fundamental and applied scientific research and are critical to the development of accelerator driven sub-critical reactor systems. An effective magnetic shield is very important to achieve higher quality factor (Qo) of the cryomodule of a particle accelerator. The allowed value of field inside the cavity due to all external fields (particularly the Earth’s magnetic field) is ~15 mG or less. The goal of this PhD dissertation is to comprehensively study the magnetic properties of commonly used magnetic shielding materials at both cryogenic and room temperatures. This knowledge can be used for the enhanced design of magnetic shields of cryomodes (CM) in particle accelerators. To this end, we first studied the temperature dependent magnetization behavior (M-H curves) of Amumetal and A4K under different annealing and deformation conditions. This characterized the effect of stress or deformation induced during the manufacturing processes and subsequent restoration of high permeability with appropriate heat treatment. Next, an energy based stochastic model for temperature dependent anhysteretic magnetization behavior of ferromagnetic materials was proposed and benchmarked against experimental data. We show that this model is able to simulate and explain the magnetic behavior of as rolled, deformed and annealed amumetal and A4K over a large range of temperatures. The experimental results for permeability are then used in a finite element model (FEM) in COMSOL to evaluate the shielding effectiveness of multiple shield designs at room temperature as well as cryogenic temperature. This work could serve as a guideline for future design, development and fabrication of magnetic shields of CMs.

Sah, Sanjay↗
DOE OSTI2015

Magnetic materials at finite temperatures: thermodynamics and combined spin and molecular dynamics derived from first principles calculations

We present a unified approach to describe the combined behavior of the atomic and magnetic degrees of freedom in magnetic materials. Using Monte Carlo simulations directly combined with first principles the Curie temperature can be obtained ab initio in good agreement with experimental values. The large scale constrained first principles calculations have been used to construct effective potentials for both the atomic and magnetic degrees of freedom that allow the unified study of influence of phonon-magnon coupling on the thermodynamics and dynamics of magnetic systems. The MC calculations predict the specific heat of iron in near perfect agreement with experimental results from 300K to above Tc and allow the identification of the importance of the magnon-phonon interaction at the phase-transition. Further Molecular Dynamics and Spin Dynamics calculations elucidate the dynamics of this coupling and open the potential for quantitative and predictive descriptions of dynamic structure factors in magnetic materials using first principles-derived simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Additive manufacturing of soft and hard magnetic materials used in electrical machines

Soft and hard magnetic materials were fabricated using additive manufacturing (AM) for use in 3D electrical machines. The effect of the characteristics and the nature of the magnetic feedstock powders was evaluated for both the cold spray (CS) and the fused filament fabrication (FFF) processes. 3D finite element analysis (FEA) was used to develop new motor topologies based on the advantages offered by AM. FEA optimization also allowed the identification of the most critical material properties and is thus a powerful tool to facilitate material development.

Bernier, Fabrice↗