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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 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Correlative Energy-Dispersive X-Ray Spectroscopic Tomography and Atom Probe Tomography of the Phase Separation in an Alnico 8 Alloy

Alnico alloys have long been used as strong permanent magnets because of their ferromagnetism and high coercivity. Understanding their structural details allows for better prediction of the resulting magnetic properties. However, quantitative three-dimensional characterization of the phase separation in these alloys is still challenged by the spatial quantification of nanoscale phases. Herein, we apply a dual tomography approach, where correlative scanning transmission electron microscopy (STEM) energy-dispersive X-ray spectroscopic (EDS) tomography and atom probe tomography (APT) are used to investigate the initial phase separation process of an alnico 8 alloy upon non-magnetic annealing. STEM-EDS tomography provides information on the morphology and volume fractions of Fe–Co-rich and Νi–Al-rich phases after spinodal decomposition in addition to quantitative information of the composition of a nanoscale volume. Subsequent analysis of a portion of the same specimen by APT offers quantitative chemical information of each phase at the sub-nanometer scale. Furthermore, APT reveals small, 2–4 nm Fe-rich α 1 phases that are nucleated in the Ni-rich α 2 matrix. From this information, we show that phase separation of the alnico 8 alloy consists of both spinodal decomposition and nucleation and growth processes. Lastly, we discuss the complementary benefits and challenges associated with correlative STEM-EDS and APT.

36 MATERIALS SCIENCE↗
DOE OSTI2019

MnBi 2 : A Metastable High-Pressure Phase in the Mn–Bi System

Interacting heavy main group elements that are laden with spin–orbit coupling with transition metals, such as manganese, is a potential route toward the synthesis of new permanent magnets. In theory, this approach can be used to design magnets with large magnetic energy products by maximizing both coercive field and remnant magnetization. Powerful precedent for this approach resides in the intermetallic compound, MnBi, which was for a short time in the 1950’s the most powerful magnetic material in the world. Creating new materials within this phase space is enabled by high-pressure synthesis, which is facilitated by recent advances in in situ techniques within diamond anvil cells. We observed the Mn–Bi system under high pressure in search of novel intermetallic compounds, and herein we report the discovery of MnBi 2 , a novel intermetallic in the Mn–Bi system. This compound forms above 8.3(1) GPa, crystallizing in the Al 2 Cu structure-type with a = 6.8315(1) Å and c = 5.6572(2) Å. This discovery hints at the possibility of further compounds within this underexplored phase space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Syntheses and Characterization of Tetrazolate-Based Lanthanide Compounds and Selective Crystallization Separation of Neodymium and Dysprosium

Selective crystallization offers new opportunities for separating neodymium and dysprosium, which are considerably important in permanent magnets. Two water-soluble nitrogen-rich tetrazolate-based ligands, dtp 2– (H 2 dtp = 2,3-di-1H-tetrazol-5-ylpyrazine) and H 2 ibt – [H 3 ibt = 4,5-bis(tetrazol-5-yl)imidazole], allow the separation of Nd 3+ and Dy 3+ through selective crystallization. The reactions of Ln 3+ with the ligand Na 2 (dtp)·2H 2 O lead to two distinct phases, Na[Ln(dtp)(H 2 O) 8 ](dtp)·H 2 O (Lndtp1; Ln = La–Pr) and [Ln(H 2 O) 8 ](Hdtp)(dtp)·H 2 O (Lndtp2; Ln = Nd and Sm–Lu). Three different compound types, [Ln(H 2 ibt) 2 (H 2 O) 6 ](H 2 ibt)·3(H 2 O) (Lnibt1; Ln = La or Ce), [Ln(H 2 ibt)(H 2 O) 7 ](H 2 ibt) 2 ·4(H 2 O) (Lnibt2; Ln = Pr or Nd), and [Ln(Hibt)(H 2 ibt)(H 2 O) 4 ]·4+x(H 2 O) (Lnibt3; Ln = Sm–Lu), are obtained from reacting Ln 3+ and Na(H 2 ibt)·3(H 2 O). Two different phases are observed for Nd(Lnibt2) and Dy(Lnibt3) in the system of H 2 ibt – , which leads to crystallization-based separation of Nd/Dy with a separation factor of 32 ± 0.7, 10 times higher than that of dtp 2– , and a short separation time of 20 s (1 day for dtp 2– ). As a result, the higher performance of H 2 ibt – compared to that of dtp2– provides guidance for the rational design of water-soluble tetrazolate-derived ligands for selective crystallization.

Crystal structure↗
DOE OSTI2025

Search for Stable and Low-Energy Ce–Co–Cu Ternary Compounds Using Machine Learning

Cerium-based intermetallics have garnered significant research attention as potential new permanent magnets. In this study, we explore the compositional and structural landscape of Ce−Co−Cu ternary compounds using a machine learning (ML)- guided framework integrated with first-principles calculations. We employ a crystal graph convolutional neural network (CGCNN), which enables efficient screening for promising candidates, significantly accelerating the material discovery process. With this approach, we predict five stable compounds, Ce 3 Co 3 Cu, CeCoCu 2 , Ce 12 Co 7 Cu, Ce 11 Co 9 Cu, and Ce 10 Co 11 Cu 4 , with formation energies below the convex hull, along with hundreds of low-energy (possibly metastable) Ce−Co−Cu ternary compounds. Firstprinciples calculations reveal that several structures are both energetically and dynamically stable. Notably, two Co-rich low-energy compounds, Ce 4 Co 33 Cu and Ce 4 Co 31 Cu 3 , are predicted to have high magnetizations.

Chemical structure↗
DOE OSTI2017

Stabilization of X–Au–X complexes on the Au(111) surface: A theoretical investigation and comparison of X = S, Cl, CH 3 S, and SiH 3 S

Alnico alloys have long been used as strong permanent magnets because of their ferromagnetism and high coercivity. Understanding their structural details allows for better prediction of the resulting magnetic properties. However, quantitative three-dimensional characterization of the phase separation in these alloys is still challenged by the spatial quantification of nanoscale phases. Herein, we apply a dual tomography approach, where correlative scanning transmission electron microscopy (STEM) energy-dispersive X-ray spectroscopic (EDS) tomography and atom probe tomography (APT) are used to investigate the initial phase separation process of an alnico 8 alloy upon non-magnetic annealing. STEM-EDS tomography provides information on the morphology and volume fractions of Fe–Co-rich and Νi–Al-rich phases after spinodal decomposition in addition to quantitative information of the composition of a nanoscale volume. Subsequent analysis of a portion of the same specimen by APT offers quantitative chemical information of each phase at the sub-nanometer scale. Furthermore, APT reveals small, 2–4 nm Fe-rich α 1 phases that are nucleated in the Ni-rich α 2 matrix. From this information, we show that phase separation of the alnico 8 alloy consists of both spinodal decomposition and nucleation and growth processes. The complementary benefits and challenges associated with correlative STEM-EDS and APT are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Fluorescence Signatures of Rare Earth Metals during Precipitation in Various Conditions

Fluorescence spectroscopy is a widely used sensor methodology that analyzes light emitted from a compound or element as it decays from an excited state. This technique is very sensitive and selective, which is ideal to characterize analytes at lower limits of detection. Key example targets of significant industry and research interest include rare earth elements (REEs) such as dysprosium (Dy) and europium (Eu). These are widely used in advanced technologies including semiconductors, electric vehicle motors, lasers, and permanent magnets. Identifying new sources and responsible reutilization of REEs is essential, and new approaches to extract and recycle REEs could be notably enhanced through the integration of on-line sensors. The sensors can support faster process design, informed scale-up, and cost-effective deployment. This study covers the initial exploration of applying fluorescence-based on-line monitoring to REEs within a precipitation process. This study demonstrates the successful scale-up of a fluorescence -based sensing approach, from stationary cuvettes and small-volume microfluidic devices to continuous flow systems operating at the bench scale (10-25mL). This work also provides initial insight into the challenges of signal’s effects and utility within a turbid environment. Using a modular design for monitoring flowing solutions in a flow tube, fluorescence can be characterized for a variety of analytical targets. In this study, detection performance parameters between the cuvette and flow tube system were compared. Additionally, the response of Dy during precipitation by sodium bicarbonate in the two measurement designs was explored. This letter represents a starting point to bridge the gap between traditional fluorescence sensor measurements in a cuvette to future developments that explore the ability to integrate fluorescence sensors into extraction and separation processes at industrially relevant scales.

fluorescence↗
DOE OSTI2020

Computationally Directed Discovery of MoBi 2

Incorporating bismuth, the heaviest element stable to radioactive decay, into new materials enables the creation of emergent properties such as permanent magnetism, superconductivity, and nontrivial topology. Understanding the factors that drive Bi reactivity is critical for the realization of these properties. Using pressure as a tunable synthetic vector, we can access unexplored regions of phase space to foster reactivity between elements that do not react under ambient conditions. Furthermore, combining computational and experimental methods for materials discovery at high-pressures provides broader insight into the thermodynamic landscape than can be achieved through experiment alone, informing our understanding of the dominant chemical factors governing structure formation. Herein, we report our combined computational and experimental exploration of the Mo–Bi system, for which no binary intermetallic structures were previously known. Using the ab initio random structure searching (AIRSS) approach, we identified multiple synthetic targets between 0–50 GPa. Highpressure in situ powder X-ray diffraction experiments performed in diamond anvil cells confirmed that Mo–Bi mixtures exhibit rich chemistry upon the application of pressure, including experimental realization of the computationally predicted CuAl 2 -type MoBi 2 structure at 35.8(5) GPa. Electronic structure and phonon dispersion calculations on MoBi 2 revealed a correlation between valence electron count and bonding in high-pressure transition metal–Bi structures as well as identified two dynamically stable ambient pressure polymorphs. Our study demonstrates the power of the combined computational–experimental approach in capturing highpressure reactivity for efficient materials discovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Rare earth metals production using alternative feedstock that eliminates HF

This work reports the successful production of rare earth (RE) metal using Na-RE-F. Presently, RE metals are primarily produced using RE-fluoride due to its higher air and moisture stability compared to RE-chloride. However, its preparation requires the use of corrosive and hazardous chemicals, such as hydrofluoric acid (HF) or ammonium bifluoride (NH 4 HF 2 ). The present study demonstrates that Na-RE-F is an alternative salt to the typically used RE-fluoride. The Na-RE-F for this work is produced via a scalable hydrometallurgical approach using three different RE salts as feedstock, including acetate, nitrate, and chloride. HF is neither used nor generated during the salt preparation process. Furthermore, the Na-RE-F powder dries in air (without dry HF), and only water evolves during the drying process. Analyses of the Na-RE-F show that NaF liberates as a flux during the heating process, which lowers the salt reduction temperature to <900 °C, thus minimizing or eliminating the need for additional flux. Calciothermic reduction of the Na-RE-F salt is successfully employed to obtain RE metal. This work represents a safer, greener, and more widely deployable approach for producing the RE metals needed for permanent magnets which support the transition to a cleaner society through the decarbonization of the transportation industry.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Charge transport and antiferromagnetic ordering in nitroxide radical crystals

Nonconjugated radical polymers and small molecules are employed as functional materials in organic electronic devices. Furthermore, the unpaired electrons on these materials have permanent magnetic moments, making these materials promising candidates for organic magnets. Through molecular design, strong antiferromagnetic and ferromagnetic ordering have been achieved in conjugated materials. However, the magnetic properties of nonconjugated radical polymers have only shown weak magnetic interactions among the open-shell sites due to the large mean separation between radicals in typical materials. Here, we have designed, synthesized, and crystalized two open-shell molecules that used molecular engineering to control the assembly of the open-shell sites into a strong antiferromagnetically ordered network. The strong antiferromagnetic interaction is evidenced by a high paramagnetic-to-antiferromagnetic transition temperature of ~40 K. This high transition temperature was a result of a high spin exchange coupling constant J of about –20 cm –1 , which was suggested by both experimental and computed coupling parameters given by the energy difference between high-spin and low-spin broken-symmetry structures. In addition, a single-crystal electrical conductivity of ~10 –3 S m –1 was achieved, which indicated the potential of this material in electronic applications. As a result, this work provides an insight into a design strategy for radical-based electronic and magnetic materials through proper molecular structure modifications.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Airbreathing Laser Propulsion Experiments with 1 {mu}m Terawatt Pharos IIILaser: Part 2

This basic research study examines the physics of airbreathing laser propulsion at the extreme flux range of 1-2x10{sup 11} W/cm{sup 2}--within the air breakdown threshold for l {mu}m radiation--using the terawatt Pharos III neodymium-glass pulsed laser. Six different experimental setups were employed using a 34 mm line focus with 66 {mu}m focal waist, positioned near the flat impulse surface. The 2nd Campaign investigated impulse generation with the laser beam focused at grazing incidence across near horizontal target surfaces, with pulse energies ranging from 55 to 186 J, and pulse-widths of 2 to 30 ns FWHM. Laser generated impulse was measured with a horizontal Plexiglas registered ballistic pendulum equipped with either a steel target insert or 0.5 Tesla permanent magnet (NEIT-40), to quantify changes in the momentum coupling coefficient (C{sub M}). Part 2 of this 2-part paper covers Campaign no. 2 results including C{sub M} performance data, and long exposure color photos of LP plasma phenomena.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Multi-dipolar microwave plasmas and their application to negative ion production

During the past decade multi-dipolar plasmas have been employed for various purposes such as surface treatments in biomedicine, physical and chemical vapour deposition for hydrogen storage, and applications in mechanical engineering. On the other hand, due to the design and operational mode of these plasma sources (i.e., strong permanent magnets for the electron cyclotron resonance coupling, low working pressure, and high electron density achieved) they are suitable for studying fundamental mechanisms involved in negative ion sources used in magnetically confined fusion and particle accelerators. Thus, this study presents an overview of fundamental results obtained with: (i) a single dipolar source, (ii) a network of seven dipolar plasma sources inserted into a magnetic multipolar chamber (Camembert III), and (iii) four dipolar sources housed in a smaller metallic cylinder (ROSAE III). Investigations with Langmuir probes of electron energy probability functions revealed the variation of the plasma properties versus the radial distance from the axis of a dipolar source in its mid plane and allowed the determination of the proportion between hot and cold electron populations in both chambers. These results are compared with the density of hydrogen negative ions, measured using the photodetachment technique. Electron energy probability functions obtained in these different configurations show the possibility of both hot and cold electron production. The former is a prerequisite for increasing the vibrational level of molecules and the dissociation degree and the latter for producing negative ions via dissociative attachment of the cold electrons or via surface production induced by H atoms.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

A fail-safe magnetorheological energy absorber for shock and vibration isolation

Magnetorheological (MR) energy absorbers (EAs) are an effective adaptive EA technology with which to maximize shock and vibration isolation. However, to realize maximum performance of the semi-active control system, the off-state (i.e., field off) stroking load of the MREA must be minimized at all speeds, and the dynamic range of the MREA must be maximized at high speed. This study presents a fail-safe MREA (MREA-FS) concept that, can produce a greater dynamic range at all piston speeds. A bias damping force is generated in the MREA-FS using permanent magnetic fields, which enables fail-safe behavior in the case of power failure. To investigate the feasibility and capability of the MREA-FS in the context of the semi-active control systems, a single-degree-of-freedom base excited rigid payload is mathematically constructed and simulated with skyhook control.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Calibration of proton dispersion for the NIF electron positron proton spectrometer (NEPPS) for short-pulse laser experiments on the NIF ARC

Experiments using the Advanced Radiographic Capability (ARC) laser at the National Ignition Facility (NIF) aim to characterize short-pulse-driven proton beams for use as both probes and drivers for high-energy-density physics experiments. Measurements of ARC-driven proton beam characteristics, such as energy spectrum and conversion efficiency, rely on the NIF Electron Positron Proton Spectrometer (NEPPS). The NEPPS diagnostic is a version of an existing particle spectrometer which is used for detecting MeV electron and positron spectra via permanent magnetic field dispersion. These spectrometers have not yet been calibrated for protons and instead use an analytical calculation to estimate the dispersion. Small variations in the field uniformity can affect the proton dispersion due to the relatively small resolving power (E/dE) for this diagnostic. A broadband energy, laser-accelerated proton source was produced at the Titan laser to experimentally calibrate the proton dispersion. These experimental data were used to test the theoretical dispersion. Numerical simulations using measurements of the magnetic field variation within the diagnostic were used to obtain a realistic proton dispersion curve for the new NEPPS units. In conclusion, this procedure for obtaining each independent dispersion is applicable to all EPPS and NEPPS diagnostics, given the axial magnetic field profile.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Detection of a coherent population trapping resonance in a beam of {sup 87}Rb atoms by the Ramsey method

Formation of a coherent population trapping (CPT) resonance is studied in the interaction of a beam of {sup 87}Rb atoms with two spatially separated domains of the dichromatic field. Various resonance excitation schemes are compared depending on the choice of operation transitions and type of the polarisation scheme. In the case of a single-velocity atomic beam, the dependence of the CPT resonance profile is studied as a function of principal parameters of the system: beam velocity, distance between optical fields, laser beam dimensions and intensities, and applied permanent magnetic field. Influence of the atomic beam angular divergence and residual beam velocity spread on the resonance quality parameter is estimated. (atomic beams)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Transverse electron acceleration in the field of terahertz radiation. Terahertz synchrotron

We study transverse acceleration of an electron introduced to a terahertz pulse along the direction of the electromagnetic field wave vector in the presence of an external permanent magnetic field. We estimate the possible increment of the electron energy as well as the acceleration length and turn angle of the electron leaving the pulse. The developed acceleration scheme may be employed (in addition to the electron accelerator itself) in a terahertz synchrotron, possible parameters of which are estimated. (paper)

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

Accomplishing simple, solubility-based separations of rare earth elements with complexes bearing size-sensitive molecular apertures

Significance Rare earth metals, La–Lu, Sc, and Y, are essential components of electronic materials and permanent magnets in diverse technologies. But, their mining and separations chemistry are unsustainable and plagued with supply problems. Recycling of consumer materials containing rare earths is a promising new source of these critical materials but similarly requires efficient separations. We report the use of a tripodal hydroxylaminato ligand, TriNOx 3– , with rare earth cations that enable fast, efficient separations through a simple leaching process. This approach is expected to contribute to a new method for recycling postconsumer materials including lighting phosphors and magnets, to diversify and improve the sustainability of the rare earth metal supply chain.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Study of the ferromagnetic quantum phase transition in Ce 3– x Mg x Co 9

The Ce 3-x Mg x Co 9 system evolves from a Pauli paramagnetic ground state for x = 0 to a ferromagnetic ground state for x≈0.80 in single-phase, polycrystalline samples [Lamichhane, V. Taufour, A. Palasyuk, Q. Lin, S.L. Budko, and P.C. Canfield, Ce3-xMgxCo9 : transformation of a Pauli paramagnet into a strong permanent magnet, Phys. Rev. Appl. 9 (2018), p. 024023]. In order to better understand this behaviour, single-crystalline samples of Ce 3-x Mg x Co 9 for x = 0.01, 0.16, 0.24, 0.35, 0.43 and 0.50 were grown using the flux growth technique, and electrical transport and magnetic properties were studied. The T C-x phase diagram we infer shows that the system has a quantum phase transition near x = 0.35, transforming to a ferromagnetic ground state.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗