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At least 73 records · Page 4

High-Fidelity Multiphysics Assessment of the Molten Chloride Reactor Experiment (MCRE) Integrating Neutronics, Thermal-hydraulics and Thermochemistry

This work presents a MOOSE-based Multiphysics model of the LOTUS MSR reactor system. The model includes the coarse-mesh turbulent thermal-hydraulics including passive advection of delayed neutron precursors of the primary system through Pronghorn, the power density and neutronics calculation employing Griffin, and the chemical interactions through Gibbs energy minimization and redox potential with Thermochimica. Incorporating a plate-out model, the full multi-physics model is used to evaluate the effects of deposition and removal of solid compounds formed in the molten salt in the reactor surfaces, evaluating the concentrations and regions in which nickel, chromium and iron would be deposited. Results indicate an almost isothermal state of the fuel during operation at 25 kW that do not increase the plate-out effects due to low temperature gradients.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN

Development of aircraft brake materials

A program has been carried out to study and develop high temperature aircraft brake materials. A survey of the requirements of brake materials was made to select materials to meet these requirements. Based upon their physical and thermal properties, a number of materials were selected and evaluated in sliding tests which simulated aircraft braking. The mating material is 17-22 AS steel. Additives were incorporated into these materials to optimize their wear or strength behavior with particular emphasis on nickel and molybdenum base materials. Optimum materials were developed which had improved wear behavior over conventional brake materials in the simulated test. The best materials were a nickel, aluminum oxide, lead tungstate composition containing graphite and a molybdenum base material containing LPA 100 (an intermetallic compound of cobalt, molybdenum and silicon).

Ho, T.-L.

Developable images produced by X-rays using the nickel-hypophosphite system. 3: The latent image and trapped hydrogen

The hydrogen trapped in X-irradiated hypophosphites, phosphites, formates, oxalates, a phosphate, and some organic compounds was vacuum extracted and measured quantitatively with a mass spectrometer. After extraction, normally developable salts were found to be still developable. Thus, the latent image is not the trapped hydrogen but a species of the type HPO(-)2. The amplification factor for irradiated hypophosphites is about 100. A narrow range of wavelengths (at about 0.07 nm, 0.7 A) is responsible for the formation of the latent image.

May, C. E.

Electronic structure, and magnetic and superconducting pairing tendencies of the alternating single layer–bilayer stacking nickelate La 5 ⁢Ni 3 ⁢O 11 under pressure

Nickelates have continued to surprise since their unconventional superconductivity was discovered. Recently, the layered nickelate La 5 ⁢Ni 3 ⁢O 11 with hybrid single-layer and bilayer stacking showed superconductivity under high pressure. This compound combines features of single-layer La 2 ⁢NiO 4 and bilayer La 3 ⁢Ni 2 ⁢O 7 , but its pairing mechanism remains to be understood. Motivated by this finding, here we report a comprehensive theoretical study of this system. Our density functional theory calculations reveal that the undistorted P4/mmm phase without pressure is unstable due to three distortion modes. As pressure increases, these modes are suppressed, leading to the high-symmetry P4/mmm phase without NiO 6 octahedron tilting. Moreover, the “charge transfer” between the single-layer and bilayer sublattices was observed, leading to hole doping in the single-layer blocks. Our random-phase approximation calculations indicate a leading 𝑑 𝑥 2 −𝑦 2 -wave pairing state that arises from spin-fluctuation scattering between Fermi surface states mainly originating from the single-layer blocks and additional weaker contributions from the bilayer blocks. These spin fluctuations could be detected by inelastic neutron scattering as a strong peak at 𝐪 = (𝜋,𝜋). Our findings distinguish La 5 ⁢Ni 3 ⁢O 11 from other nickelate superconductors discovered so far and the high-𝑇 𝑐 cuprates. We also discuss both similarities and differences between La 5⁢ Ni 3 ⁢O 11 and other hybrid stacking nickelates.

Zhang, Yang [Univ. of Tennessee, Knoxville, TN (Un

Development of aircraft brake materials

The requirements of brake materials were outlined and a survey made to select materials to meet the needs of high temperature brakes. A number of metals and ceramic materials were selected and evaluated in sliding tests which simulated aircraft braking. Nickel, molybdenum tungsten, Zr02, high temperature cements and carbons were tested. Additives were then incorporated into these materials to optimize their wear or strength behavior with particular emphasis on nickel and molybdenum base materials and a high temperature potassium silicate cement. Optimum materials were developed which improved wear behavior over conventional brake materials in the simulated test. The best materials are a nickel, aluminum oxide, lead tungstate composition containing graphite or molybdenum disulphite; a molybdenum base material containing LPA100 (an intermetallic compound of cobalt, molybdenum, and silicon); and a carbon material (P5).

Ho, T. L.

A proposed magnetic digital temperature transducer, volume 1

A study has been made of the feasibility of using the discontinuous permeability versus temperature characteristics of some magnetic materials for a digital temperature transducer and a thermally controlled ON-OFF switch. Simple logic converts the number of output pulse to a digital word recognizable by the system. Efforts have been concentrated on materials with Curie temperatures between 0 and 100 C. One compound has the composition Mn(5-x)Fe(x)Ge3 where the amount of iron determines the transition temperature. The other compound is Ni-Zn ferrite and has the compositon Ni(1-x)Zn(x)Fe(1.95)O4 where the nickel: zinc ratio determines the transition temperature. A detailed report of materials prepared is presented. Toroidal inductors of the material have been constructed and the change in inductance with temperature measured. In view of these initial measurements, it is felt that a transducer utilizing the permeability versus temperature characteristics of these materials has promise as a reliable and sensitive solid state digital temperature transducer.

Collier, T. E.

Nickel Aluminide Alloys Made By Rapid Solidification

Collection of reports describes experimental metallurgical studies of nickel aluminide alloys made by rapid-solidification powder-metallurgy process. Process incorporates ultrafine dispersions of hard, stable refractory compounds and rare-earth oxides into alloys. Effects of dispersoids on high-temperature mechanical properties (flow stress, and compressive and tensile creep) of alloys investigated. Results indicate specific additives result in improved strength and ductility.

Ray, Ranjan

Degradation of TATP, TNT, and RDX using mechanically alloyed metals

Bimetallic alloys prepared in a ball milling process, such as iron nickel (FeNi), iron palladium (FePd), and magnesium palladium (MgPd) provide in situ catalyst system for remediating and degrading nitro explosive compounds. Specifically, munitions, such as, 2,4,6-trinitrotoluene (TNT), cyclo-1,3,5-trimethylene-2,4,6-trinitramine (RDX), nitrocellulose and nitroglycerine that have become contaminants in groundwater, soil, and other structures are treated on site to remediate explosive contamination.

Clausen, Christian

Space photovoltaic modules based on reflective optics

The conceptual design and experimental results for two types of space application concentrator photovoltaic modules, employing reflective optical elements, are presented. The first type is based on the use of compound parabolic concentrators, the second type is based on the use of line-focus parabolic troughs. Lightweight concentrators are formed with nickel foil coated silver with a diamond-like carbon layer protection. Secondary optical elements, including lenses and cones, are introduced for a better matching of concentrators and solar cells. Both types of modules are characterized by concentration ratios in the range 20x to 30x, depending on the chosen range of misorientation angles. The estimated specific parameters of these modules operating with single junction AlGaAs/GaAs solar cells are 240 W/sq m and 3 kg/sq m.

Andreev, V. M.

Reciprocal Ternary Molten Salts Enable the Direct Upcycling of Spent Lithium‐Nickel‐Manganese‐Cobalt Oxide (NMC) Mixtures to Make NMC 622

Cathode active material is the most valuable component of spent lithium‐ion batteries, accounting for ≈30% of their overall value. Direct recycling of cathode materials involves recovering, regenerating, and reusing them without breaking down their chemical structure. This approach maximizes the added value of the cathode compound and reduces manufacturing costs by avoiding the need for virgin material production. However, one key challenge in scaling direct recycling from lab to industry is the requirement for highly purified cathode materials, contrasting with the low purity of black mass generated from battery shredding. No efficient separation process currently exists to isolate different lithium‐nickel‐manganese‐cobalt oxides (NMCs) from each other. Thus, direct recycling technologies that can operate with mixtures of multiple NMC stoichiometries will be best‐suited for industrial adoption. This study explores the direct recycling of NMC mixtures into NMC 622 using a “reciprocal ternary molten salts (RTMS)” system. Ionothermal relithiation and upcycling within the RTMS system successfully restore the layered structure, lithium content, and electrochemical performance of degraded NMCs, yielding results comparable to pristine NMC 622 (P‐NMC 622).

25 ENERGY STORAGE

Altermagnetism in NiSi and Antiferromagnetic Candidate Materials with Non‐Collinear Spins

Recently, a new class of magnetic phenomenon, called altermagnetism, is proposed where the underlying spin configuration resembles antiferromagnetic structure, but the system violates PT (PT: Parity times Time reversal) symmetry due to the alternation of crystalline symmetry across magnetic ions. Although the original idea is proposed for the collinear spin structure, a recent report by Cheong et al. has suggested that antiferromagnetic materials with non-collinear spin structure and local alternation of crystalline arrangement can also manifest altermagnetism. Besides breaking the PT symmetry, altermagnetic compounds are also expected to exhibit anomalous Hall effects of odd orders. Here, possible candidates are discussed in this regard. One example is nickel monosilicide, which is recently shown to exhibit high temperature antiferromagnetism with non-collinear spin structure. It fulfills both criteria of breaking the PT symmetry and manifesting nonlinear anomalous Hall effect. In addition to NiSi, other potential antiferromagnetic materials are also discussed with non-collinear spin configuration for the exploration of altermagnetic states.

altermagnetism

Structural comparison of nickel electrodes and precursor phases

A summary of previous Raman spectroscopic results and a discussion of important structural differences in the various phases of active mass and active mass precurors are presented. Raman spectra provide unique signatures for these phases, and allow one to distinguish each phase, even when the compound is amorphous to X-rays (i.e., does not scatter X-rays because of a lack of order and/or small particle size). The structural changes incurred during formation, charge and discharge, cobalt addition, and aging will be discussed and related to electrode properties. Important structural differences include NiO2 layer stacking, nonstoichiometry (especially cation-deficit nonstoichiometry), disorder, dopant content, and water content. The results indicate that optimal nickel active mass is non-close packed and nonstoichiometric. The formation process transforms precursor phases into this structure. Therefore, the precursor disorder, or lack thereof, influences this final active mass structure and the rate of formation. Aging processes induce structural change which is believed to be detrimental. The role of cobalt addition can be appreciated in terms of structures favored or stabilized by the dopant. In recent work, the in situ Raman technique to characterize the critical structural parameters was developed. An in situ method relates structure, electrochemistry, and preparation. In situ Raman spectra of cells during charge and discharge, either during cyclic voltammetry or under constant current conditions were collected. With the structure-preparation knowledge and the in situ Raman tool, it will be possible to define the structure-property-preparation relations in more detail. This instrumentation has application to a variety of electrode systems.

Cornilsen, Bahne C.

Thermomagnetic analysis of meteorites. I - Cl chondrites

Samples of all five of the known Cl chondrites have been analyzed thermomagnetically. The only magnetic phase found in four of the chondrites (Alais, Ivuna, Orgueil, Tonk) was magnetite containing less than 6% nickel. The Revelstoke Cl chondrite contains essentially Ni-free Fe3O4 as the predominant phase; however, a small amount of a thermally unstable iron compound (presumably FeS) is additionally present. Estimates of the weight percentage of magnetite, based on saturation moments, are: Alais, 5.3 plus or minus 0.4%; Ivuna, 12.2 plus or minus 0.9%; Orgueil, 11.9 plus or minus 0.8%; Revelstoke, 7.2 plus or minus 0.5%; and Tonk, 9.4 plus or minus 0.6%.

Larson, E. E.

Electrochemical Nickel-Catalyzed Asymmetric Hydrogenation of C═C Bonds Facilitated by a Proton-Coupled Electron Transfer Mediator

Enantioselective hydrogenation of C═C bonds is foundational to asymmetric synthesis, yet its adaptation to electrochemical methods has been limited by challenges in achieving chemoselectivity versus the hydrogen evolution reaction (HER). In this article, we present a modular electrochemical strategy that merges chiral nickel catalysis with a cobaltocene-derived proton-coupled electron transfer (PCET) mediator to enable the asymmetric hydrogenation of α,β-unsaturated carbonyl compounds. Under optimized conditions, a range of substrates featuring diverse amide functionalities and substitution patterns are hydrogenated in high yields (up to 95%) and enantioselectivities (up to 98% ee). The results described highlight the potential benefits of mediator-assisted, fixed-potential electrocatalysis in selective, stereocontrolled hydrogenation under mild conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Hydrocyclization/Defluorination of CF 3 ‐Substituted Acrylamides: Insights from Kinetics of Hydrogen Atom Transfer

Abstract The introduction of F‐containing groups into organic molecules can significantly alter their physical and chemical properties. Particularly, gem ‐difluoroalkenes serve as versatile precursors for a broad variety of organofluorine compounds, commonly used in agrochemicals, pharmaceuticals, and materials science. Based on the kinetics of H• transfer to acrylamide ( k H = 2.28 × 10 −4 M −1 s −1 at 300 K in toluene), the study describes a nickel‐hydride‐(or Li[BEt 3 H]) initiated hydrocyclization/defluorination of CF 3 ‐substituted acrylamides, offering alternative access to 4‐fluorovinyl‐substituted 2‐pyrrolidones (Seletracetam derivatives that are antiepileptic drug candidates). This process proceeds with high yields and remarkable chemo‐ and regioselectivity. The hydrocyclization/defluorination can be initiated by either H• or H – transfer, followed by a 5‐exo‐trig cyclization and subsequent fluorine elimination. The strategy has been applied in the late‐stage functionalization of drug molecules, providing a valuable tool in the synthesis of pharmaceutical compounds.

Wan, Yanjun [College of Pharmaceutical Sciences Zh

Effects of Hypervelocity Impacts on Silicone Elastomer Seals and Mating Aluminum Surfaces

While in space silicone based elastomer seals planned for use on NASA's Crew Exploration Vehicle (CEV) are exposed to threats from micrometeoroids and orbital debris (MMOD). An understanding of these threats is required to assess risks to the crew, the CEV orbiter, and missions. An Earth based campaign of hypervelocity impacts on small scale seal rings has been done to help estimate MMOD threats to the primary docking seal being developed for the Low Impact Docking System (LIDS). LIDS is being developed to enable the CEV to dock to the ISS (International Space Station) or to Altair (NASA's next lunar lander). The silicone seal on LIDS seals against aluminum alloy flanges on ISS or Altair. Since the integrity of a seal depends on both sealing surfaces, aluminum targets were also impacted. The variables considered in this study included projectile mass, density, speed, incidence angle, seal materials, and target surface treatments and coatings. Most of the impacts used a velocity near 8 km/s and spherical aluminum projectiles (density = 2.7 g/cubic centimeter), however, a few tests were done near 5.6 km/s. Tests were also performed using projectile densities of 7.7, 2.79, 2.5 or 1.14 g/cubic centimeter. Projectile incidence angles examined included 0 degrees, 45 degrees , and 60 degrees from normal to the plane of the target. Elastomer compounds impacted include Parker's S0383-70 and Esterline's ELA-SA-401 in the as received condition, or after an atomic oxygen treatment. Bare, anodized and nickel coated aluminum targets were tested simulating the candidate mating seal surface materials. After impact, seals and aluminum plates were leak tested: damaged seals were tested against an undamaged aluminum plate; and undamaged seals were placed at various locations over craters in aluminum plates. It has been shown that silicone elastomer seals can withstand an impressive level of damage before leaking beyond allowable limits. In general on the tests performed to date, the diameter of the crater in either the elastomer, or the aluminum, must be at least as big as 80% to 90% of width of the bulb of the seal before significant leakage occurs.

deGroh, Henry C., III

Effects of Hypervelocity Impacts on Silicone Elastomer Seals and Mating Aluminum Surfaces

While in space silicone based elastomer seals planned for use on NASA's Crew Exploration Vehicle (CEV) are exposed to threats from micrometeoroids and orbital debris (MMOD). An understanding of these threats is required to assess risks to the crew, the CEV orbiter, and missions. An Earth based campaign of hypervelocity impacts on small scale seal rings has been done to help estimate MMOD threats to the primary docking seal being developed for the Low Impact Docking System (LIDS). LIDS is being developed to enable the CEV to dock to the ISS (International Space Station) or to Altair (NASA's next lunar lander). The silicone seal on LIDS seals against aluminum alloy flanges on ISS or Altair. Since the integrity of a seal depends on both sealing surfaces, aluminum targets were also impacted. The variables considered in this study included projectile mass, density, speed, incidence angle, seal materials, and target surface treatments and coatings. Most of the impacts used a velocity near 8 km/s and spherical aluminum projectiles (density = 2.7 g/cubic cm), however, a few tests were done near 5.6 km/s. Tests were also performed using projectile densities of 7.7, 2.79, 2.5 or 1.14 g/cubic cm. Projectile incidence angles examined included 0 deg, 45 deg, and 60 deg from normal to the plane of the target. Elastomer compounds impacted include Parker's S0383-70 and Esterline's ELA-SA-401 in the as received condition, or after an atomic oxygen treatment. Bare, anodized and nickel coated aluminum targets were tested simulating the candidate mating seal surface materials. After impact, seals and aluminum plates were leak tested: damaged seals were tested against an undamaged aluminum plate; and undamaged seals were placed at various locations over craters in aluminum plates. It has been shown that silicone elastomer seals can withstand an impressive level of damage before leaking beyond allowable limits. In general on the tests performed to date, the diameter of the crater in either the elastomer, or the aluminum, must be at least as big as 80% to 90% of width of the bulb of the seal before significant leakage occurs.

deGroh, Henry C., III

Charge efficiency of Ni/H2 cells during transfer orbit of Telstar 4 satellites

The TELSTAR 4 communication satellites being manufactured by Martin Marietta Astro Space (Astro Space) for AT&T are three axis stabilized spacecraft scheduled to be launched on expendable vehicles such as the Atlas or Ariane rockets. Typically, these spacecraft consist of a box that holds the electronics and supports the antenna reflectors and the solar array wings. The wings and reflectors are folded against the sides of the box during launch and the spacecraft is spun for attitude control in that phase; they are then deployed after achieving the final orbit. The launch phase and transfer orbits required to achieve the final geosynchronous orbit typically take 4 to 5 days during which time the power required for command, telemetry, attitude control, heaters, etc., is provided by two 50 AH nickel hydrogen batteries augmented by the exposed outboard solar panels. In the past, this situation has presented no problem since there was a considerable excess of power available from the array. In the case of large high powered spacecraft such as TELSTAR 4, however, the design power levels in transfer orbit approach the time-averaged power available from the exposed surface area of the solar arrays, resulting in a very tight power margin. To compound the difficulty, the array output of the spinning spacecraft in transfer orbit is shaped like a full wave rectified sine function and provides very low charging rates to the batteries during portions of the rotation. In view of the typically low charging efficiency of alkaline nickel batteries at low rates, it was decided to measure the efficiency during a simulation of the TELSTAR 4 conditions at the expected power levels and temperatures on three nickel hydrogen cells of similar design. The unique feature of nickel hydrogen cells that makes the continuous measurement of efficiency possible is that hydrogen is one of the active materials and thus, cell pressure is a direct measure of the state of charge or available capacity. The pressure is measured with a calibrated strain gage mounted on the outside of the pressurized cell.

Fang, W. C.