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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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46 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Radiation-induced transients on solid and molten Li and K iodides

The study, quantification, and monitoring of iodine in nuclear power generation systems have been paramount due to its environmental and health implications. Thorough speciation and transport studies strengthened the development and deployment of water reactors, which are now required for the new generation of Molten Salt Reactors (MSR), where the fuel and coolant are a complex liquid system of suitable halides. The speciation, radiation-induced chemistry, and transport of iodine (I-127, I-129 and I-131) under extreme conditions of temperature and ionizing radiation are among the challenges for the future implementation of MSR’s. In aqueous systems, the triiodide-iodine-iodide (I3--I2-I-) equilibrium is strongly dependent on the conditions of the medium. In molten iodides and chlorides, the triiodide detection (and its disproportionation) poses challenges due to the extreme conditions of temperature and radiation, but studies have shown a dependence on temperature, absorbed dose and salt composition. Through absorption spectroscopy techniques (diffuse reflectance and high-temperature UV-Vis), as well as resonance (Electron Paramagnetic Resonance) it is possible to identify primary transients induced by ionizing radiation trapped in the solid phase (Solid-state radiolysis), and steady-state main absorption components with a fast-acquisition real-time spectroscopy. The presence of heterogeneous phase (colloids), viscosity changes, and gas evolution are among the observed processes. A specific case of study is speciation in the presence of Ni. A corrosion product with magnetic properties due to unpaired electrons in its electronic structure. Ferromagnetic materials are monitored in solidified salts to identify aggregation and phase separation. Comparative studies of eutectic mixtures of LiI-KI and LiCl-KCl with known addition of dopants will be presented, with a perspective of radiation chemistry and its possible implications in complex systems.

36 - MATERIALS SCIENCE↗
DOE OSTI2021

Mechanism of Metal Intercalation under Graphene through Small Vacancy Defects

Metal intercalation under graphene has attracted extensive experimental and theoretical research because of its capability to manipulate the electronic structure and properties of graphene. However, the pathways and mechanisms of intercalation are still not well understood. Here, we systematically investigate the intercalation process of metal atoms through graphene vacancies using first-principles calculations. We show that the energy barrier for metal atom penetration through the vacancies in graphene is small as long as the size of the vacancy is larger than a mono-vacancy. However, metal atoms are strongly bonded to the vacancy so that the detachment energy of a metal atom from the vacancy is extremely high. This inhibits the diffusion of the metal atom into the gallery beneath the surface to complete the intercalation process. On the other hand, our calculation results show that the detachment energy of a metal atom from a metal dimer at small vacancy defects is significantly reduced, making intercalation much easier. Therefore, the key step limiting the intercalation process is the detachment of the metal atoms from vacancy defects. This finding from our study provides useful insight into the defect-assisted intercalation mechanism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Encapsulation of metal nanoparticles at the surface of a prototypical layered material

Encapsulation of metal nanoparticles just below the surface of a prototypical layered material, graphite, is a recently discovered phenomenon. These encapsulation architectures have potential for tuning the properties of two-dimensional or layered materials, and additional applications might exploit the properties of the encapsulated metal nanoclusters themselves. The encapsulation process produces novel surface nanostructures and can be achieved for a variety of metals. Because these studies of near-surface intercalation are in their infancy, these systems provide a rich area for future studies. This Review presents the current progress on the encapsulation, including experimental strategies and characterization, as well as theoretical understanding which leads to the development of predictive capability. The Review closes with future opportunities where further understanding of the encapsulation is desired to exploit its applications.

encapsulation↗
DOE OSTI2021

Competitive formation of intercalated versus supported metal nanoclusters during deposition on layered materials with surface point defects

Intercalated metal nanoclusters (NCs) can be formed under the surface of graphite after sputtering to generate surface “portal” defects that allow deposited atoms to reach the subsurface gallery. Although, there is a competition between formation of supported NCs on top of the surface and intercalated NCs under the surface, the latter only dominating at sufficiently high temperature. A stochastic model incorporating appropriate system thermodynamics and kinetics is developed to capture this complex and competitive nucleation and growth process. Kinetic Monte Carlo simulation shows that the model captures experimental trends observed for Cu and other metals and reveals that higher temperatures are needed to facilitate detachment of atoms from supported NCs enabling them to reach the gallery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Equilibrium shapes of facetted 3D metal nanoclusters intercalated near the surface of layered materials

Experimental studies indicate that 3D crystalline metal nanoclusters (NCs) intercalated under the surface of graphite have flat-topped equilibrated shapes. In this work, we characterize the shapes of these facetted NCs sandwiched between a blanketing graphene layer and the underlying graphite substrate. Specifically, we focus on the cases of fcc Cu and hcp Fe NCs. Furthermore, the analysis involves numerical minimization of the system energy for a specified NC volume and NC height, the latter corresponding to the separation between parallel top and bottom facets. Our numerical analysis quantifies how the distance of the side facet planes from center of the nanocluster varies linearly with a natural characteristic linear dimension of the nanocluster. Calculated shapes of fcc Cu and hcp Fe NCs are consistent with the hexagonal footprints observed in scanning tunneling microscopy studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Preface for the special collection commemorating the career of Pat Thiel

This Special Collection in the Journal of Vacuum Science and Technology A (JVST A) has been compiled to commemorate the career of Professor Patricia (Pat) Thiel as a scientific leader in the international surface science community. Pat passed away in September 2020 due to breast cancer. This Collection includes 26 articles from colleagues, collaborators, and former Thiel group members. The topics overlap Pat’s scientific interests and advances in areas that include chemisorption, reconstruction, and complex formation on metal surfaces; submonolayer nucleation and growth and kinetic roughening of epitaxial thin films; coarsening of surface nanostructures; intercalation; surface phenomena for intermetallics including quasicrystals; and atomic-scale friction. We wish to thank the authors for their contributions towards producing this impressive Special Collection.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

Task Force Report: ESR Linear Lattice Design

A new layout and optics for the Electron Storage Ring (ESR) have been produced with revised spin rotators in IRs 6 and 8, a redesign of IR10, and a new geometric layout for the ring. In this report, the efforts to produce this lattice are documented, including the motivation for design decisions. This new lattice, version 5.5, will be used as the baseline for future studies.

43 PARTICLE ACCELERATORS↗