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Schematic illustration of the hybrid method model. ρ is the net charge density calculated from cDFT. v is the velocity calculated from non-equilibrium MD simulation. b and α W are the slipping length and the surface properties, respectively.
Abstract not provided.
The focus of this project was to electrodeposit epitaxial films and nanostructures of inorganic materials. Although electrodeposition is normally associated with the electroplating of metals, the emphasis in this work was the deposition of compound materials such as metal oxides, semiconductors, catalysts, and magnetic materials. An electrochemical/chemical approach was used, in which an electrochemical redox reaction was followed by a chemical reaction to produce the product. The materials were deposited as epitaxial thin films or nanostructures onto a single-crystal substrate that determined their in-plane and out-of-plane orientation. Epitaxial films can have enhanced properties due to the lack of grain boundaries. They can also produce catalytic materials which have enhanced reactivity due to the exposure of the most catalytically active surface. A method was developed to produce inexpensive single-crystal-like metal foils that could be used as the substrate to deposit materials for applications such as flexible electronics. It was also demonstrated that epitaxial films of inorganic materials could be produced by a simple spin-coating technique.
The overall goal of the projects is to develop a framework to incorporate structure motifs and crystal/orbital symmetries into the data-driven materials discovery infrastructure. The PI proposed to develop structure-motif- and symmetry-based graph convolutional networks for effective learning and efficient predictions of electronic structures and related properties. Fundamental understanding of the roles of structure motif and symmetry will establish new hypothesis and design rules, which will be combined with high-throughput computations based on density functional theory to discover novel light absorbers, transparent conductors, as well as 2D light emitting materials and heterojunctions for optoelectronics.
Recently, significant advances have been made in designing high-temperature capable nuclear fuels. In parallel, important advances have occurred in design of nanophotonic structures (coatings) with ability to shape the frequencies of light being emitted from hot surfaces. In this project, we bring these materials advances together into a design for a new direct conversion nuclear powered system with high thermodynamic efficiency, inherent safety, and unprecedented reduction in size and weight relative to current designs. The concept involves using the heat generated from nuclear fission to raise the temperature of a selective thermal emitter to >800°C. The selective emitter shifts the normal broad brand emissions of light from its hot surface into the correct near- and mid-IR bands that produce electricity with inexpensive photovoltaic cells. We have designed a new annular flow Lead Fast Reactor (LFR) that minimizes overall reactor/power conversion footprint. The results indicate that the overall microreactor/power-system design offers a 2X reduction in size over existing technology that is based on the sCO 2 reverse compression Brayton cycle. Additionally, the only moving part in our design is a circulation pump to cool the PVT panels.
Hybrid inorganic-microbial systems have emerged as a potentially transformative approach to combine the light-harvesting capability of inorganic semiconductors and the ability of microbes to orchestrate complex chemical transformations. The objective of this collaborative research is to combine quantum materials synthesis, bacterial synthetic biology, and multimodal single-entity imaging to quantitatively study how hybrid QD-bacteria systems convert light to value chemicals at the single-to-sub cell level, with the ultimate goal of gaining insights to guide the engineering of QDs and bacterial genetics for more efficient bioenergy conversion. The final technical report summarizes our achievements toward this objective.
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Refractory ceramic oxide for thermionic diodes
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Design, fabrication, and testing of 12-kilowatt inductor alternator, voltage regulator-exciter, and parasitic loading speed controller - summary
Performance characteristics of radionuclide powered thermionic generators
Performance evaluation of plutonia fueled multicell thermionic converter
A general nonlinear interaction theory is used to investigate the effects of transverse fields (i.e., radial circuit fields and radial space-charge fields) in traveling-wave amplifiers for a variety of beam-focusing conditions. Magnetic focusing fields which are periodic or tapered (increased) with distance along the device are considered in addition to uniform magnetic fields. Results are presented for Brillouin flow and near-Brillouin flow, and the minimum magnetic field strength required to effectively constrain the electron beam is determined as a function of the operating parameters for the various focusing systems. Confined flow is also examined for the uniform-field case in order to have a basis of comparison from which the effects of radial motion of the beam electrons can be determined. The results indicate the importance of transverse effects and further yield information on the stability of strongly modulated cylindrical electron beams.-