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At least 109 records · Page 6

Introduction to special issue: Colloidal quantum dots

The quantum confinement effect has driven the development and exploration of colloidal semiconductor nanocrystals over approximately the past three decades. These semiconductor nanostructures are typically synthesized as stable colloidal dispersions in solution-phase chemical batch reactions at relatively low temperatures. Researchers have developed a wide range of reaction conditions to produce a variety of shapes, compositions, and structures with well-controlled sizes and low polydispersities. The shape can be controlled to produce confinement in one, two, or all three spatial dimensions, the latter defining a “quantum dot.” Combining two or more semiconductors within the various nanostructures produces additional optical and electronic degrees of freedom. These mixed compositional nanostructures have properties not accessible in bulk semiconductor systems. Further, researchers have fabricated novel nanoheterostructures, such as “dot-in-rods,” quantum wells, core/shell structures, giant-core/shell tetrapods where the core is one material and the arm is another, Janus structures that consist of spherical structures with well-defined internal heterostructures, nano-dumbbells, hollow-core structures, and many other novel and interesting structures. The structural variations are seemingly only limited by the creativity of the various researchers engaged in these endeavors.

36 MATERIALS SCIENCE↗

Enhanced coercivity in Fe5C2/SiO2 core/shell nanocrystals

Rod-shaped Fe5C2 and core/shell Fe5C2/SiO2 nanocrystals were synthesized via a solution-based chemical method. Structural analysis confirmed the monoclinic phase of Fe5C2 with space group C2/c. Zero-field-cooling (ZFC) and field-cooling (FC) magnetization curves revealed distinct magnetic behaviors: uncoated Fe5C2 exhibited a low-temperature FC plateau indicative of strong dipolar interactions, while Fe5C2/SiO2 showed a monotonic increase in FC magnetization, suggesting reduced dipolar interactions due to SiO2 surface passivation. Isothermal remanent magnetization (IRM) and DC demagnetization (DCD) measurements supported this trend, with δM plots confirming weaker dipolar interactions in the coated sample. Bloch’s law fitting of temperature-dependent saturation magnetization showed a smaller Bloch’s constant for pure Fe5C2 and a larger value for Fe5C2/SiO2, reflecting enhanced surface disorder and reduced exchange coupling in the latter. Notably, Fe5C2/SiO2 demonstrated increased coercivity, attributed to decreased dipolar interaction and elevated surface anisotropy. Kneller’s law fitting yielded higher blocking temperatures for Fe5C2 (476 K) than Fe5C2/SiO2 (456 K), highlighting the impact of dipolar interactions on magnetic relaxation. These findings illustrate how SiO2 coatings effectively modulate dipolar interactions and enhance coercivity in Fe5C2 nanocrystals.

Joshi, Pramanand [Department of Physics, Universit↗

Etching sharp tips from thin metallic wires for tuning-fork-based scanning probe microscopy

Sharp tips are critical for obtaining high resolution images in scanning probe microscopy (SPM), particularly in samples with large variations in topography. For tuning-fork-based SPM, such tips are commonly obtained by electrochemical etching of metallic wires (e.g., tungsten). Electrochemical etching of metallic wires is the preferred means of preparing tips for scanning tunneling microscopy (STM), and techniques for obtaining sharp tips have been investigated extensively. However, the requirements for STM and tuning-fork-based SPM are different. In particular, the wires used in STM are typically 250-500 μ m in diameter, while the wires used for tuning-fork-based SPM are usually an order of magnitude narrower in order to minimize loading of the tuning fork: 25-50 μ m and sometimes down to a few micrometers in diameter. Consequently, many of the recipes developed for etching thicker metallic wires for STM tips do not give optimal results for smaller diameter wires. The authors describe here a modification of the etching circuit of Ibe et al . that significantly improves the reproducibility and reliability of the etching process for thin wires, and discuss the parameters that affect the aspect ratio of produced tips.

42 ENGINEERING↗

Global Pathway Selection with Zero-RK

Global Pathway Selection (GPS) is an algorithm to effectively generates reduced (skeletal) chemistry mechanisms, which speeds up simulations and can be used as a systematic analytics tool to extract insights from complex reacting system. This release is an extension of the original code to run in parallel and to use LLNL's Zero-RK solver for fast solution of chemical problems.

Whitesides, RussellA↗

Global Pathway Selection with Zero-RK v0.5

Global Pathway Selection (GPS) is an algorithm to effectively generates reduced (skeletal) chemistry mechanisms, which speeds up simulations and can be used as a systematic analytics tool to extract insights from complex reacting system. This release is an extension of the original code to run in parallel and to use LLNL's Zero-RK solver for fast solution of chemical problems.

Whitesides, RussellA [Lawrence Livermore National ↗

Impact of Irradiation and Decay Time on Chemical Speciation in Uranyl Sulfate Solution

A pH-1, 200-g U/L, highly enriched uranyl sulfate solution was neutron-irradiated using an accelerator-driven neutron source (the Universal Neutron Irradiator, UNI) to fission U-235 under conditions similar to those used by SHINE to produce Mo-99 in a subcritical assembly. We completed a series of five uranyl sulfate irradiations to assess the impact of irradiation and decay time on uranium precipitation and iodine speciation in solution. The duration of each irradiation was increased in order, with the shortest irradiation taking 2.9 hours and the longest, 64.5 hours. A total of 9.5E16 U-235 nuclei were fissioned in all irradiations, and a maximum fission power density of 0.26 W/mL was reached in the final irradiation. We observed no evidence of uranyl peroxide or other precipitates, demonstrating that the addition of Fe 2+ to a final Fe concentration of 200 ppm in the target solution was successful at preventing precipitation under representative irradiation conditions. Nonvolatile I - was found to be the dominant (>70%) iodine species in solution, both immediately after irradiation and after days to weeks of decay time.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Assessment of Materials-Based Options for On-Board Hydrogen Storage for Rail Applications

The objective of this project was to evaluate material- and chemical-based solutions for hydrogen storage in rail applications as an alternative to high-pressure hydrogen gas and liquid hydrogen. Three use cases were assessed: yard switchers, long-haul locomotives, and tenders. Four storage options were considered: metal hydrides, nanoporous sorbents, liquid organic hydrogen carriers, and ammonia, using 700 bar compressed hydrogen as a benchmark. The results suggest that metal hydrides, currently the most mature of these options, have the highest potential. Storage in tenders is the most likely use case to be successful, with long-haul locomotives the least likely due to the required storage capacities and weight and volume constraints. Overall, the results are relevant for high-impact regions, such as the South Coast Air Quality Management District, for which an economical vehicular hydrogen storage system with minimal impact on cargo capacity could accelerate adoption of fuel cell electric locomotives. The results obtained here will contribute to the development of technical storage targets for rail applications that can guide future research. Moreover, the knowledge generated by this project will assist in development of material-based storage for stationary applications such as microgrids and backup power for data centers.

08 HYDROGEN↗

Liquid centrifugation-based isotope separation of 7 Li, 37 Cl and D

Liquid centrifugation is an emerging method to separate isotopes. By spinning a liquid containing target isotopes (e.g., pure chemical or solution), the heavier isotope will be enriched at the outer part of a centrifuge, and the lighter ones will be enriched at the inner part of a centrifuge. The separation capability is positively correlated with rotation speed, outer radius and mass difference between isotopes to separate. This award targets to understand whether liquid centrifugation is effective in separating isotopes important for nuclear fission technologies. The results include the following three sections: 1) Effects of solute concentration on isotope separation; 2) Preliminary progress of building a low-speed countercurrent centrifuge, and 3) Analysis on possible candidates for 7 Li and 37 Cl. The award trained one research scientist, one Ph.D. student, one master student, and one undergraduate on liquid centrifugation and isotope measurements.

07 ISOTOPE AND RADIATION SOURCES↗

Engineering Challenges of Solution and Slurry-Phase Chemical Hydrogen Storage Materials for Automotive Fuel Cell Applications

In this work, we present the research findings of the DOE-funded Hydrogen Storage Engineering Center of Excellence (HSECoE) related to liquid-phase and slurry-phase chemical hydrogen storage media and their potential as future hydrogen storage media for automotive applications. Chemical hydrogen storage media other than neat liquid compositions will prove difficult to meet the DOE system level targets. Solid- and slurry-phase chemical hydrogen storage media requiring off-board regeneration are impractical and highly unlikely to be implemented for automotive applications because of the formidable task of developing solid- or slurry-phase transport systems that are commercially reliable and economical throughout the entire life cycle of the fuel. Additionally, the regeneration cost and efficiency of chemical hydrogen storage media is currently the single most prohibitive barrier to implementing chemical hydrogen storage media. Ideally, neat liquid-phase chemical hydrogen storage media with net-usable gravimetric hydrogen capacities of greater than 7.8 wt% are projected to meet the 2017 DOE system level gravimetric and volumetric targets. The research presented herein is a collection of research findings that do not in and of themselves warrant a dedicated manuscript. However, the collection of results do, in fact, highlight the engineering challenges and short-comings in scaling up and demonstrating fluid-phase ammonia borane and alane compositions that all future materials researchers working in hydrogen storage should be aware of.

25 ENERGY STORAGE↗

Forming "dynamic" membranes on stainless steel

"Dynamic" zirconium polyacrylic membrane is formed directly on stainless steel substrate without excessive corrosion of steel. Membrane is potentially useful in removal of contaminated chemicals from solution through reversed osmosis. Application includes use in filtration and desalination equipment, and in textile industry for separation of dyes from aqueous solvents.

Brandon, C. A.↗

The Pd2Si - /Pd/ - Ni - solder plated metallization system for silicon solar cells

The rationale and application of a plated metal system, Pd2Si Pd - Ni - solder, is presented. This metallization system is particularly useful on shallow p-n junction solar cells. The advantages of such plated solar cell contacts are discussed. A process sequence for applying the metallization system is outlined. A specific example is presented, including chemical plating solution formulations and detailed process step descriptions. Electrical test data for solar cells metallized with the palladium-nickel-solder system are provided.

Coleman, M. G.↗

Recharging Batteries Chemically

Iron/air batteries recharged chemically by solution of strong base in alcohol or by basic alcohol solution of reducing agent. Although method still experimental, it has potential for batteries in electric automobiles or as energy system in remote applications. Also used in quiet operations where noise or infrared signature of diesel engine is not desired.

Williams, R. M.↗

Magnetron Sputtering Deposits Corrosion-Resistant Alloy

Dense, amorphous, metallic film resists corrosion attack by acid. Coatings thermally stable up to 800 degrees C and made corrosion resistant by proper choice of sputtering deposition conditions. Protective, corrosionresistant coatings applied to process equipment that comes in contact with aqueous, neutral, or acidic solutions in chemical, petroleum, and paper industries, in wastewater treatment, and in heat exchangers.

Khanna, S. K.↗

A two-dimensional, TVD numerical scheme for inviscid, high Mach number flows in chemical equilibrium

A new algorithm has been developed for hypervelocity flows in chemical equilibrium. Solutions have been achieved for Mach numbers up to 15 with no adverse effect on convergence. Two methods of coupling an equilibrium chemistry package have been tested, with the simpler method proving to be more robust. Improvements in boundary conditions are still required for a production-quality code.

Eberhardt, S.↗

Milder Etchant For Penetrant Inspection

New etching solution for chemical penetrant inspection of Inconel(R) 718 castings and weldments. Etchant does not introduce artifacts mistaken for defects. Applied by swabbing or by immersion. Used to detect unwanted residues of Nioro(R) (or equivalent) gold brazing alloy on type 347 stainless steel.

O'Tousa, Joseph E.↗

Modern CFD applications for the design of a reacting shear layer facility

The RPLUS2D code, capable of calculating high speed reacting flows, was adopted to design a compressible shear layer facility. In order to create reacting shear layers at high convective Mach numbers, hot air streams at supersonic speeds, rendered by converging-diverging nozzles, must be provided. A finite rate chemistry model is used to simulate the nozzle flows. Results are compared with one-dimensional solutions at chemical equilibrium. Additionally, a two equation turbulence model with compressibility effects was successfully incorporated with the RPLUS code. The model was applied to simulate a supersonic shear layer. Preliminary results show favorable comparisons with the experimental data.

Yu, S. T.↗