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Theoretical Correlation of Elemental Distribution of Nd and Pr in Ce-Fe-B Microstructure With Hard Magnetic Properties
Relatively resource-rich but property inferior-Ce-Fe-B magnet can be improved by partial replacement of Ce by Nd and/or Pr. In addition to the amount of Nd/Pr, their distribution profile in microstructure plays an important role. From our first principles density functional theory (DFT) calculation, the substitution energy of Ce by Pr/Nd is negative in Ce 2 Fe 14 B (2:14:1) while that for laves phase, CeFe 2 is positive, implying that Nd/Pr stabilize 2:14:1 and suppress the formation of the CeFe 2 phase. Further, micromagnetic simulation indicates that homogenized distribution of Nd/Pr improves squareness of demagnetization curve, while core (Ce-rich)-shell (Nd/Pr-rich) 2:14:1 grain structure enhances coercivity. Magnetic properties of Ce-Fe-B can be optimized by manipulating distribution profile of chemical element in microstructure based on their subtle difference in thermodynamic property, which is an effective pathway to design optimized chemical composition and processing route for high-performance magnet.
Frequency stability requirements for space communications and tracking systems.
Frequency stability requirements for space communications and tracking systems
Production and Chemical Analysis of NaCl-KCl-UCl 3 Salts
Thermochemical and thermophysical properties of several molten salt systems of interest to molten salt reactor (MSR) developers are being measured at Argonne National Laboratory. These properties are needed by developers to design, license, and operate their reactors. Thermochemical properties being measured at Argonne include thermal transitions, phase behavior, and heat capacity. Thermophysical properties being measured at Argonne include liquid density, surface tension, volumetric thermal expansion of the liquid phase, thermal diffusivity, thermal conductivity, and viscosity. Properties of the ternary NaCl-KCl-UCl 3 system that may be used as a fuel bearing salt are being measured. Low-melting eutectic salt compositions are of interest to developers owing to the thermal efficiency. Using salts with low melting temperatures allow reactors to be operated at a lower temperature to improve operation and decrease safety concerns. Confirming low melting behaviors are maintained during composition changes that occur during fission is also an important factor. It is essential to any molten salt reactor developer utilizing a fuel bearing salt to have a complete understanding of the behavior of that fuel salt at a variety of compositions near the eutectic composition they plan to use. This kind of stability is indicated on a phase diagram by low liquidus slopes at compositions bordering the eutectic. Therefore, a thermodynamic model was constructed to determine what compositions of the ternary NaCl, KCl, and UCl 3 system should be studied to support MSR developers.
Verification of stability and unraveling the electronic and physical properties of bulk and (001)-surfaces of newly synthesized Ti 2 ZnX (X = C, N) MAX phases
MAX phase family has been extended by the addition of late transition metals at the A-site with the expectation of diverse functional properties. Here, we present our systematic density functional investigation on the thermodynamic and phonon stabilities, elastic properties, including elastic constants, elastic moduli and elastic anisotropy of newly synthesized Ti 2 ZnX (X = C, N) phases in comparison with conventional Ti 2 AlX (X = C, N). Due to the smaller size of N as compared to C, the unit cell dimension is reduced when C atoms are replaced by N atoms at the X-site. Furthermore, the Ti 2 ZnC and Ti 2 ZnN are stable at the equilibrium volume of 110.84 Å 3 and 105.70 Å 3 . The thermodynamic, mechanical and dynamical stabilities are validated by estimating the formation energies, elastic constants and phonon dispersions, respectively. The elastic properties of Ti 2 ZnN are less anisotropic as compared to those of Ti 2 ZnC. To understand the thin-film characteristics in Ti 2 ZnX, the surface properties with (001)-terminated slabs are investigated. Both Ti 2 ZnX bulk and (001)-surfaces exhibit metal-like electronic structures. There is a strong covalent bonding between Ti-X and Ti-Zn atoms confirmed by the charge density map and Mulliken population analysis. Additional states are generated at the Fermi level (EF) due to the unusual d-p states hybridization between Ti and Zn atoms. The anisotropy in chemical bonding is confirmed by the cleavage energy difference between Ti-X and Ti-Zn. Here, Ti(X)-001 and Zn-001 terminations are stable surfaces; however, in terms of chemical potentials, Zn-001 termination is the most favourable in Ti 2 ZnX.
NASA Tech Briefs, March 2008
Topics covered include: WRATS Integrated Data Acquisition System; Breadboard Signal Processor for Arraying DSN Antennas; Digital Receiver Phase Meter; Split-Block Waveguide Polarization Twist for 220 to 325 GHz; Nano-Multiplication-Region Avalanche Photodiodes and Arrays; Tailored Asymmetry for Enhanced Coupling to WGM Resonators; Disabling CNT Electronic Devices by Use of Electron Beams; Conical Bearingless Motor/Generators; Integrated Force Method for Indeterminate Structures; Carbon-Nanotube-Based Electrodes for Biomedical Applications; Compact Directional Microwave Antenna for Localized Heating; Using Hyperspectral Imagery to Identify Turfgrass Stresses; Shaping Diffraction-Grating Grooves to Optimize Efficiency; Low-Light-Shift Cesium Fountain without Mechanical Shutters; Magnetic Compensation for Second-Order Doppler Shift in LITS; Nanostructures Exploit Hybrid-Polariton Resonances; Microfluidics, Chromatography, and Atomic-Force Microscopy; Model of Image Artifacts from Dust Particles; Pattern-Recognition System for Approaching a Known Target; Orchestrator Telemetry Processing Pipeline; Scheme for Quantum Computing Immune to Decoherence; Spin-Stabilized Microsatellites with Solar Concentrators; Phase Calibration of Antenna Arrays Aimed at Spacecraft; Ring Bus Architecture for a Solid-State Recorder; and Image Compression Algorithm Altered to Improve Stereo Ranging.
Viscosity and viscoelasticity of two-phase systems having diffuse interfaces
The equilibrium stability criterion for diffuse interfaces in a two-component solution with a miscibility gap requires that the interdiffusion flux vanish. If the system is continuously deformed, convective fluxes disrupt the equilibrium in the interface regions and induce a counter diffusive flux, which is dissipative and contributes to the apparent viscosity of the mixture. Chemical free energy is recoverably stored, causing viscoelastic phenomena. Both effects are significant.
Sequence Impedance Measurement of Utility-Scale Wind Turbines and Inverters – Reference Frame, Frequency Coupling, and MIMO/SISO Forms
Sequence impedance responses with or without considering frequency coupling in both MIMO and SISO forms are increasingly used for the stability analysis of three-phase power electronic systems; however, many aspects of sequence impedance measurement are not fully explored. It is not clear if the sequence impedance has a reference frame similar to the dq impedance. If so, the role of the grid voltage angle estimation in aligning the sequence impedance reference frame has not been discussed. Additionally, existing methods for measuring the sequence impedance with frequency coupling are complicated, are not feasible for large wind turbines and inverters, and provide the sequence impedance responses in only either MIMO or SISO form. This paper presents a sequence impedance measurement method that considers the frequency coupling, performs reference frame alignment, demonstrates the impact of the grid voltage angle estimation, and obtains the sequence impedance response in both MIMO and SISO forms. This paper demonstrates the proposed method and practical problems associated with the sequence impedance measurement of utility-scale wind turbines and inverters on a 1.9-MW Type III wind turbine and a 2.2-MVA inverter using an impedance measurement system built around a 7-MW/13.8-kV grid simulator and a 5-MW dynamometer.
Effect of a crystal-melt interface on Taylor-vortex flow
The linear stability of circular Couette flow between concentric infinite cylinders is considered for the case that the stationary outer cylinder is a crystal-melt interface rather than a rigid surface. A radial temperature difference is maintained across the liquid gap, and equations for heat transport in the crystal and melt phases are included to extend the ordinary formulation of this problem. The stability of this two-phase system depends on the Prandtl number. For small Prandtl number the linear stability of the two-phase system is given by the classical results for a rigid-walled system. For increasing values of the Prandtl number, convective heat transport becomes significant and the system becomes increasingly less stable. Previous results in a narrow-gap approximation are extended to the case of a finite gap, and both axisymmetric and nonaxisymmetric disturbance modes are considered. The two-phase system becomes less stable as the finite gap tends to the narrow-gap limit. The two-phase system is more stable to nonaxisymmetric modes with azimuthal wavenumber n = 1; the stability of these n = 1 modes is sensitive to the latent heat of fusion.
Predicting the recovery and grade of a rougher flotation circuit from liberation data
A flotation model has been validated against the survey data obtained from a copper rougher flotation circuit with a circulating load. Here, the model was developed using the hydrophobic force as a kinetic parameter, which made it possible to use the contact angles of the free and composite particles as input parameters so that the model can predict both recoveries and grades. The model also recognizes the role of bubble coarsening in determining the froth phase recoveries and grades. The model predictions are in good agreement with the survey data. The size-by-size recovery curve as predicted from the model shows an optimum particle size range that is consistent with most of the operating data reported in the literature. The model suggests that the upper particle size limit may be determined by the instability of the froth phase rather than the turbulence in the pulp phase of a flotation cell.
Thermally driven phase transition of halide perovskites revealed by big data-powered in situ electron microscopy
Halide perovskites are promising light-absorbing materials for high-efficiency solar cells, while the crystalline phase of halide perovskites may influence the device’s efficiency and stability. In this work, we investigated the thermally driven phase transition of perovskite (CsPbIxBr3—x), which was confirmed by electron diffraction and high-resolution transmission electron microscopy results. CsPbIxBr3—x transitioned from δ phase to α phase when heated, and the γ phase was obtained when the sample was cooled down. The γ phase was stable as long as it was isolated from humidity and air. A template matching-based data analysis method enabled visualization of the thermally driven phase evolution of perovskite during heating. Here, we also proposed a possible atomic movement in the process of phase transition based on our in situ heating experimental data. The results presented here may improve our understanding of the thermally driven phase transition of perovskite as well as provide a protocol for big-data analysis of in situ experiments.
Crosslinked polymeric ionic liquid stationary phases incorporating a combination of silver(I) and copper(II) ions for olefin separations by gas chromatography
The development of efficient and selective olefin separation technologies is a critical challenge within the chemical industry given the high energy demands of conventional cryogenic distillation methods. To address this, the study explores the effectiveness of polymeric ionic liquid (PIL) stationary phases in gas chromatography (GC) that incorporate both silver(I) ([Ag + ]) and copper(II) ([Cu 2+ ]) ions for enhanced olefin separation via π-complexation interactions. Further, the effects of both non-crosslinked and crosslinked PIL stationary phases containing varying ratios of [Ag⁺] and [Cu²⁺] ions were systematically investigated to evaluate their impact on the separation of olefins from paraffins and structurally similar olefins. Retention measurements using a broad range of olefinic probes revealed that [Ag⁺] ions provided stronger and more consistent π-complexation in PIL-based stationary phases, while [Cu²⁺] ions preferentially enhance olefin retention in crosslinked systems. Furthermore, thermal stability studies showed that [Ag + ]-containing PIL stationary phases maintain stable olefin separation efficiency over prolonged exposure under elevated temperatures, while crosslinked PIL stationary phases containing [Cu 2+ ] ions exhibited stronger retention due to increased surface adsorption. These findings provide insight into the tunability of metal–olefin interactions using PIL-based stationary phases and suggest design strategies for achieving thermally stable and highly selective chromatographic separations of unsaturated hydrocarbons.
High yields in direct-drive inertial confinement fusion using thin-ice DT liner targets
In this work, we report simulation results that suggest record neutron yields above 3 x 10 14 can be achieved in laser-driven fusion on OMEGA by imploding large-outer-diameter targets (~1010μm) containing ice layers as thin as 34μm. Historically, the performance of thin and fast capsules is thought to be highly degraded by hydrodynamic instabilities. We present pulse designs that push implosion velocities above 650 km/s while maintaining enough ablative stabilization and low enough in-flight aspect ratios to survive the acceleration phase. We show these targets also possess improved stability during deceleration stemming from augmented core temperatures and low fuel convergence.
Phase locking of field sequential color wheel for small TV camera
System employs synchronous motor driven by deflection waveform of TV and connected directly to color filter wheel to phase lock wheel to deflection unit. Innovation stabilizes color response of small TV cameras and allows for small, lightweight installations. Problems associated with motor phase changes are cited.
Stable salt hydrate-based thermal energy storage materials
A phase change material composition for latent heat storage is provided. In one embodiment, the phase change material includes a salt hydrate having a melting temperature (Tm) of from 1° C. to 100° C. as determined in accordance with ASTM E793. The phase change material further includes a stabilizing matrix including a polysaccharide selected from the group of a nanocellulose, a sulfonated polysaccharide, a starch, a glycogen, a chitin, and combinations thereof. A composite article including the phase change material composition is also provided.
Tetragonal BaCoO 3 : A Co 4+ Ferromagnetic Mott Insulator
We report the stabilization of the metastable body-centered tetragonal (BCT) phase of BaCoO 3 (BCT-BaCoO 3 ) under high-pressure (15 GPa) and hightemperature (1200 °C) conditions using a mixture precursor. This double perovskite adopts the EuTiO 3 -type structure (space group I4/mcm), as confirmed by powder Xray diffraction and high-resolution STEM. X-ray photoelectron spectroscopy indicates a predominant Co 4+ oxidation state without detectable oxygen vacancies. Magnetization and heat capacity measurements reveal ferromagnetic ordering at T C ∼ 107 K, attributable to the BCT-BaCoO 3 phase. Above this temperature, the mixed-phase sample exhibits Curie−Weiss paramagnetism, a low-spin to high-spin crossover upon cooling, and a possible intermediate-spin state at elevated temperatures. Resistivity data indicates insulating behavior with weak magnetoresistance. DFT and DFT + DMFT calculations suggest that the insulating state originates from an orbitally selective transition sensitive to the nominal valence of the Co-d shell. The metastable BCT-BaCoO 3 phase cannot be retained in pure form at ambient pressure but can be stabilized by embedding it in a disordered mixture, offering a potential route to discover and preserve other high-pressure phases under ambient conditions.
Stabilized Aluminum Titanate
Stable, potentially-inexpensive, cubic crystalline alpha aluminum titanate that shows no phase change to 1,700 K used in heat exchangers. Particular stabilizing species must be selected with careful attention to crystal dimensions and bond angles of alpha and beta phases of aluminum titanate.
Surface Amorphization of Vanadium Dioxide (B) for K-ion Battery
Given the merits of low cost, fast ionic transport in electrolyte, and high operating voltage, potassium ion batteries (PIBs) are promising alternatives to lithium-ion batteries. However, developing suitable electrode materials that can reversibly accommodate large potassium ions is a great challenge. In this paper, guided by density functional theory (DFT) calculations, it is demonstrated that the strategy of interfacial engineering via surface amorphization of VO 2 (B) nanorods (SA-VO 2 ), which results in the formation of a crystalline core/amorphous shell heterostructure, enables superior K + storage performance in terms of large capacity, outstanding rate capability, and long cycle stability working as an anode for PIBs. DFT calculations reveal that the created crystalline/amorphous heterointerface in SA-VO 2 can substantially lower the surface energy, narrow the band gap, and reduce the K + diffusion barrier of VO 2 (B). These conditions enable enhanced K + storage capacity and rapid K + /electron transfer, which result in large capacity and outstanding rate capability. Using in situ X-ray diffraction and in situ transmission electron microscopy complemented by ex situ microscopic and spectroscopic techniques, it is unveiled that the superior cycling stability originates from the excellent phase reversibility with negligible strain response and robust mechanical behavior of SA-VO 2 upon (de)potassiation.