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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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At least 397 records · Page 22

Ultrathin Amorphous Gallium Oxide Vacuum Ultraviolet Photodetectors

Gallium oxide is demonstrated to be an effective material for the detection of vacuum-ultraviolet (VUV) photons. Nanometer thick films of amorphous gallium oxide deposited by atomic layer deposition are found to exhibit large absorptivity in the VUV region 120–200 nm. We leverage the strong absorption of the ultrathin film to fabricate self-powered Schottky diode photodetectors using graphene as a VUV-transparent electrode. In conclusion, responsivity throughout the VUV is calculated, significantly extending the demonstrated spectral range of gallium oxide-based photodetectors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantum-Dot Laser for Wavelengths of 1.8 to 2.3 micron

The figure depicts a proposed semiconductor laser, based on In(As)Sb quantum dots on a (001) InP substrate, that would operate in the wavelength range between 1.8 and 2.3 m. InSb and InAsSb are the smallest-bandgap conventional III-V semiconductor materials, and the present proposal is an attempt to exploit the small bandgaps by using InSb and InAsSb nanostructures as midinfrared emitters. The most closely related prior III-V semiconductor lasers are based, variously, on strained InGaAs quantum wells and InAs quantum dots on InP substrates. The emission wavelengths of these prior devices are limited to about 2.1 m because of critical quantum-well thickness limitations for these lattice mismatched material systems. The major obstacle to realizing the proposed laser is the difficulty of fabricating InSb quantum dots in sufficient density on an InP substrate. This difficulty arises partly because of the weakness of the bond between In and Sb and partly because of the high temperature needed to crack metalorganic precursor compounds during the vapor-phase epitaxy used to grow quantum dots: The mobility of the weakly bound In at the high growth temperature is so high that In adatoms migrate easily on the growth surface, resulting in the formation of large InSb islands at a density, usually less than 5 x 10(exp 9) cm(exp -2), that is too low for laser operation. The mobility of the In adatoms could be reduced by introducing As atoms to the growth surface because the In-As bond is about 30 percent stronger than is the In-Sb bond. The fabrication of the proposed laser would include a recently demonstrated process that involves the use of alternative supplies of precursors to separate group-III and group-V species to establish local non-equilibrium process conditions, so that In(As)Sb quantum dots assemble themselves on a (001) InP substrate at a density as high as 4 x 10(exp 10) cm(exp -2). Room-temperature photoluminescence spectra of quantum dots formed by this process indicate that they emit at wavelengths from 1.7 to 2.3 microns.

Qiu, Yueming↗

Microstructure and microchemistry changes at U-10Mo fuel/AA6061 cladding interfaces with varying hot isostatic pressing conditions

Monolithic uranium - 10 wt.% molybdenum (U-10Mo) is a promising high-assay low-enriched uranium fuel system for nuclear reactors used in research, medical isotope production, and remote power applications. During manufacturing, AA6061 cladding is bonded to the U-10Mo fuel plate via hot isostatic pressing, during which diffusion and fuel/cladding chemical interaction occurs at plate edges. Furthermore, the microstructure and microchemistry changes that occur at fuel/cladding interfaces are important to understand as a function of process parameters to develop a reliable fuel fabrication process and to meet the desired specifications. Here, microstructural and microchemical changes are studied using complementary electron microscopy and atom probe tomography for two manufactured fuel plates with varied hot isostatic pressing (HIP) parameters. Results highlight that modifying thermomechanical processing parameters significantly changed the interaction layer thickness between U-10Mo and AA6061 by an order of magnitude. In addition to this the distribution and concentration of elements (i.e., Al, Si, Mg) from cladding to fuel was also investigated.

36 MATERIALS SCIENCE↗

Mobility assessment of the BCC and carbide phases in the C-Nb, C-U and Nb-U systems

Uranium carbides with refractory metal additions are considered for Gen IV nuclear reactors and nuclear thermal propulsion as fuels for their high-temperature and corrosion resistant properties. Understanding kinetic effects that dictate microstructural evolution during fabrication and operating conditions is essential to advance technological development of these fuels. This work presents the development of an atomic mobility database for C-Nb-U systems based off available experimental data supported with ab-initio methods. The mobility assessments and uncertainty quantification (using Markov chain Monte Carlo) were conducted in the Kawin software. Carbon diffusion is considered dominant, as metal diffusion is much slower, with niobium diffusion being even slower and rate limiting than uranium metal. We provide a comprehensive and self-consistent thermo-kinetic database that is validated by diffusion couple simulations through Kawin. In conclusion, this enables prediction of microstructural and phase evolution critical for the development and lifetime assessment of next generation nuclear fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Arbitrary Low-Dimensional Film Transfer Enabled by GeO 2 Release Layer

Low-dimensional materials show great promise for enhanced computing and sensing performance in mission-relevant environments. However, integrating low-dimensional materials into conventional electronics remains a challenge. Here, we demonstrate a novel transfer method by which low-dimensional materials and their heterostructures can be transferred onto any arbitrary substrate. Our method relies on a water soluble GeO 2 substrate from which lowdimensional materials are transferred without significant perturbation. We apply the method to transfer a working electronic device based on a low-dimensional material. Process developments are achieved to enable the fabrication and transfer of a working electronic device, including the growth of high-k dielectric on GeO 2 by atomic layer deposition and inserting an indium diffusion barrier into the device gate stack. This work supports Sandia’s heterogeneous integration strategy to broaden the implementation of low-dimensional films and their devices.

36 MATERIALS SCIENCE↗

Final Technical Report - Rapid Surface Microanalysis using a Low Temperature Plasma

This project focused on improving our current understanding and scientific knowledge in the area of plasma-surface interactions and plasma assisted material synthesis related to advanced microelectronics and nanotechnology. Current challenges include: controlling the interaction of Low Temperature Plasma (LTP) with a single layer of atoms to manufacture integrated circuits, continued miniaturization of integrated circuits, LTP processing of material surfaces and thin films to enable industrial scale fabrication of advanced microelectronics, synthesis of new materials, nanomaterials, nanotubes, and complex materials, Technology developed in this subtopic is of value to either (i) enable scans of surfaces (~1 sq. cm area) using various microscopies (electron, optical, other) at high resolution (micron or sub-micron resolution) rapidly (hours or days rather than years to complete a high-resolution scan of such a large surface area), or (ii) enable scans of surfaces (~1 sq. cm area) using various microscopies (electron, optical, other) at relatively low resolution rapidly, then apply algorithms to select spots for micron-scale imaging. Sputtering occurs when particles of a solid material are ejected from its surface by energetic particles from a plasma. While the degradation of the solid material and the subsequent deposition of the ejected material onto vulnerable surfaces are the usual subjects of sputtering studies, plasma science has yet to be combined with sputtering to create new diagnostics devices and systems. Small changes in the design of the plasma discharge device make it possible to create broad plasma beams for rapid scanning or small plasma beams to obtain the distribution of ejected elements with micron resolution. In the high-resolution use, the ion flux is extracted from the gas-discharge plasma and focused by a spherical emission surface to micron sizes onto the target specimen, providing very local sputtering and local elemental analysis. We call this “self-focusing”. The radiation from the excited and ionized sputtered atoms is recorded by a spectrometer through a window and fiberglass cable and analyzed with standard software packages used for optical glow discharge spectroscopy. Computer simulations of beam formation were used to verify and optimize the designs to be tested. A prototype was designed, constructed, and used to start experiments of beam formation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Generation IV Benchmarking of TRISO Fuel Performance Models Under Accident Conditions Final Report

The Generation IV International Forum (GIF) is a co-operative international endeavor of fourteen members organized to carry out the research and development needed to establish the feasibility and performance capabilities of the next generation nuclear energy systems. GIF selected six reactor technologies, amongst which is the Very High Temperature Reactor (VHTR) that is primarily dedicated to the cogeneration of electricity and hydrogen. The technical basis for VHTR is the tristructural isotropic (TRISO)-coated particle fuel, the graphite as the core structure, helium coolant, as well as the dedicated core layout and lower power density to removal decay heat in a natural way. At the heart of safety features of the VHTR concept lie the TRISO fuel particles that are designed to keep their structural integrity and retain fission products at temperatures up to 1600°C. As part as the design and future operation of VHTRs, a key aspect is the accurate prediction of fuel performance under irradiation and accident conditions. Modeling and simulation allow prediction of TRISO fuel behavior when subject to neutron flux and in high temperature accident scenarios. The refinement of the fuel performance models and codes is performed by comparison to in-pile and out-of-pile experimental data that reproduce the expected irradiation conditions in high temperature gas-cooled reactors (HTGRs). Historically, the International Atomic Energy Agency (IAEA) developed a benchmark dedicated to the validation of predictive methods for fuel and fission product behavior through the Coordinated Research Program CRP-2 (IAEA, 1997). CRP-2 was later updated to cover fuel fabrication, quality assurance, irradiation performance, safety testing, and spent fuel. The scope of the resulting CRP-6 benchmarks focused on HTGR fuel performance and fission product release (IAEA, 2012). Taking advantage of additional TRISO fuel fabrication, irradiation, and safety testing campaigns, GIF launched a Generation IV Benchmarking of TRISO Fuel Performance Models under Accident Conditions in late 2015. This GIF benchmark is a three-year program steered by Idaho National Laboratory (INL, USA). The other participants include the Japan Atomic Energy Agency (JAEA, Japan) and the Korea Atomic Energy Research Institute (KAERI, Korea). The objectives of the benchmark are to: follow on the IAEA CRP benchmarks, (2) model fission product release under accident conditions, (3) compare results obtained by the fuel performance modeling codes of the benchmark participants, and (4) compare these code predictions to experimental data. Safety tests chosen for modeling include the first and second experiments of the Advanced Gas Reactor program (AGR-1 and AGR-2) and the High Flux Reactor (HFR) EU1bis experiment. This report presents the results obtained by the three research institutions using their respective fuel performance modeling codes. Comparisons of the corresponding fission product release predictions are made with experimental data from AGR-1, AGR-2, and HFR-EU1bis. The benchmark results show good agreements between all participants but also show a general trend of over-prediction of the experimental release data, which is mainly attributed to the use of over-estimated diffusion coefficients.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Nanopinhole Passivating Contact Si Solar Cells Fabricated with Metal-Assisted Chemical Etching

Monocrystalline Si (c-Si) solar cells with passivating contacts based on doped polycrystalline Si (poly-Si) on ≈2.0 nm silicon oxide (SiO x ) require >1000 °C thermal processing to create conducting pinholes in the SiO x layer. However, this high thermal budget can induce bulk defects in the Czochralski c-Si wafers used as the cell absorber layer. We demonstrate that pinholes can instead be created using metal-assisted chemical etching on planar or textured morphologies, at room temperature. This wet process creates up to 200 nm wide conducting pinholes that are directly observed with transmission electron and atomic force microscopies. High-performance hole-selective poly-Si/SiN y /SiO x and electron-selective poly-Si/SiO x passivating contacts are fabricated and implemented in laboratory-scale solar cells. This process development significantly broadens the range of passivation layer materials, their thicknesses, and surface morphologies, which enables the design of poly-Si contacts with superior passivating quality.

14 SOLAR ENERGY↗

Manufacture aluminum alloy tube from powder with a single-step extrusion via ShAPE

Mechanical performance of aluminum in terms of strength, wear and corrosion resistance, especially high-temperature strength has been shown to improve with the addition of transition metal (TM) elements of Fe, Cr, and Ti. However, these feedstock materials occur as powders. As such, the traditional fabrication process is complex and expensive because it requires multiple procedures and consumes considerable energy. This study developed Shear Assisted Processing and Extrusion (ShAPE) as a single-step process that manufactures tubes directly from Al-TM powders obtained via gas atomization. Meter-long Al-TM alloy tubes are extruded from powders with different processing conditions. The ShAPE tubes have very low porosity and the average density is 2.94 kg/cm 3 , which is equal to or higher than parts fabricated by hot extrusion and sintering. The powder-to-tube fabrication process was revealed and discussed by examining the microstructural evolution. The Vickers hardness of ShAPE tubes ranges from 110 to 140 HV through wall thickness and at different extrusion speeds. The variation in hardness was correlated with the extent of refinement of intermetallics and attributed to the shear deformation per unit extrusion length. Energy cost analysis shows that ShAPE save ~60% energy compared to the conventional sintering and extrusion processes. Results indicate ShAPE is a low-cost, high-efficiency manufacturing process for producing tubes from metallic powders.

36 MATERIALS SCIENCE↗

Charge Disproportionation at Twisted SrTiO 3 Bilayer Interface Driven by Local Atomic Registry

The interplay of lattice, orbital, and charge degrees of freedom in complex oxide materials has hosted a plethora of exotic quantum phases and physical properties. Recent advances in the synthesis of freestanding complex oxide membranes and twisted heterostructures assembled from membranes provide diverse opportunities for discovery using moiré design with local lattice control. To this end, we designed moiré crystals at the coincidence site lattice condition, providing commensurate structure within the moiré supercell arising from the multiatom complex oxide unit cell. We fabricated such twisted bilayers from freestanding SrTiO 3 membranes and used depth-sectioning-based electron microscopic methods to investigate ordered charge states at the moiré interface. By selectively imaging SrTiO 3 atomic planes at different depths through the bilayer, we clearly resolved the moiré periodic structure at the twisted interface and found that it exhibits lattice-dependent charge disproportionation in the local atomic registry within the moiré supercell. Density functional modeling of the twisted oxide interface predicts that these moiré phenomena are accompanied by a two-dimensional flat band that can drive exceptional electronic phases. Our work provides a robust strategy for controlling moiré periodicity in twisted oxides and paves pathways to exploit the extraordinary functionalities via moiré lattice-driven charge-orbital correlation.

charge disproportionation↗

Atomic layer deposition and its derivatives for extreme ultraviolet (EUV) photoresist applications

Solution-processed photoresists have been forerunners in semiconductor patterning for decades. Even with the drastic reduction in photolithography wavelength, traditional spin-on resists still support the fabrication of the most advanced, sub-5 nm node logic and memory devices using EUV lithography (EUVL) (λ = 13.5 nm). However, trade-off between resolution, sensitivity, and roughness in the conventional resists pose a critical challenge in the race towards device downscaling to 1 nm node. While great efforts are being made to improve spin-on EUV photoresist performance, there has been emergence of new approaches focused on developing novel resists via vapor-phase processing routes, such as atomic layer deposition (ALD) and its analogs. This review summarizes recent advances in EUVL photoresist development based on ALD and its derivative techniques, which include ALD-based inorganic–organic dry resists and hybrid resists synthesized by infiltrating conventional spin-on resists. Despite being in the early stage, initial studies have shown the great potential of ALD applications in EUVL photoresist development.

36 MATERIALS SCIENCE↗

Bottom-up fabrication of 2D Rydberg exciton arrays in cuprous oxide

Solid-state platforms provide exceptional opportunities for advancing on-chip quantum technologies by enhancing interaction strengths through coupling, scalability, and robustness. Cuprous oxide (Cu 2 O) has recently emerged as a promising medium for scalable quantum technology due to its high-lying Rydberg excitonic states, akin to those in hydrogen atoms. To harness these nonlinearities for quantum applications, the confinement dimensions must match the Rydberg blockade size, which can reach several microns in Cu 2 O. Using a CMOS-compatible growth technique, this study demonstrates the bottom-up fabrication of site-selective arrays of Cu 2 O microparticles. We observed Rydberg excitons up to the principal quantum number n = 5 within these Cu 2 O arrays on a quartz substrate and analyzed the spatial variation of their spectrum across the array, showing robustness and reproducibility on a large chip. These results lay the groundwork for the deterministic growth of Cu 2 O around photonic structures, enabling substantial light-matter interaction on integrated photonic platforms and paving the way for scalable, on-chip quantum devices.

36 MATERIALS SCIENCE↗

Cold Flow Testing for Liquid Propellant Rocket Injector Scaling and Throttling

Scaling and throttling of combustion devices are important capabilities to demonstrate in development of liquid rocket engines for NASA's Space Exploration Mission. Scaling provides the ability to design new injectors and injection elements with predictable performance on the basis of test experience with existing injectors and elements, and could be a key aspect of future development programs. Throttling is the reduction of thrust with fixed designs and is a critical requirement in lunar and other planetary landing missions. A task in the Constellation University Institutes Program (CUIP) has been designed to evaluate spray characteristics when liquid propellant rocket engine injectors are scaled and throttled. The specific objectives of the present study are to characterize injection and primary atomization using cold flow simulations of the reacting sprays. These simulations can provide relevant information because the injection and primary atomization are believed to be the spray processes least affected by the propellant reaction. Cold flow studies also provide acceptable test conditions for a university environment. Three geometric scales - 1/4- scale, 1/2-scale, and full-scale - of two different injector element types - swirl coaxial and shear coaxial - will be designed, fabricated, and tested. A literature review is currently being conducted to revisit and compile the previous scaling documentation. Because it is simple to perform, throttling will also be examined in the present work by measuring primary atomization characteristics as the mass flow rate and pressure drop of the six injector element concepts are reduced, with corresponding changes in chamber backpressure. Simulants will include water and gaseous nitrogen, and an optically accessible chamber will be used for visual and laser-based diagnostics. The chamber will include curtain flow capability to repress recirculation, and additional gas injection to provide independent control of the backpressure. This paper provides a short review of the appropriate literature, as well as descriptions of plans for experimental hardware, test chamber instrumentation, diagnostics, and testing.

Kenny, Jeremy R.↗

Variable-Temperature Scattering and Spectroscopy Characterizations for Temperature-Dependent Solution Assembly of PffBT4T-Based Conjugated Polymers

The solution structure of conjugated polymers (CPs) from which the films are cast is critical for tailoring the thin-film morphology thus device performance. Here, we used multimodal variable-temperature scattering and spectroscopy tools to fully quantify the solution assembly of poly[(5,6-difluoro-2,1,3-benzothiadiazol-4,7-diyl)-alt-(3,3'''-dialkyl-2,2';5',2'';5'',2'''-quaterthiophen-5,5'''-diyl)] (PffBT4T) polymers with varying side-chain lengths at different assembly temperatures. The conformational and aggregation behaviors for PffBT4T-based CPs were found to be very sensitive to both temperature and side chain length using ultraviolet–visible (UV–vis) spectroscopy, nuclear magnetic resonance (NMR) spectroscopy, dynamic light scattering (DLS), and small-angle neutron scattering (SANS). We found that with slightly increasing side chain length from 2-octyldodecyl (C8C12) to 2-nonyltridecyl (C9C13), PffBT4T-based CPs show a significant decrease in aggregation-to-dissolved chain transition temperature (10 °C), degree of aggregation, enthalpy change of aggregation, and size of the aggregates in solution. At room temperature, PffBT4T polymer strongly aggregated to form fabric structure with the film thickness of a few nanometers in thickness and hundreds of nanometers in length, as probed by atomic force microscopy (AFM), transmission electronic microscopy (TEM), and dynamic light scattering (DLS). At the elevated temperature above the aggregation-to-dissolved chain transition temperature, PffBT4T is fully dissolved and adopts a semiflexible coil conformation with the persistence length of 3.1 nm for PffBT4T-C8C12 and a slightly increased persistence length of 3.4 nm for PffBT4T-C9C13, according to temperature-dependent SANS measurements. Longer side chains of PffBT4T-C9C13 also lead to less aggregation enthalpy gain compared with PffBT4T-C8C12. This work provides a solution structure manipulating strategy of CPs and thus will inspire the molecular design and processing protocols of CPs toward higher performance electronic devices.

36 MATERIALS SCIENCE↗

Electric-field-induced crossover of polarization reversal mechanisms in Al 1–x Sc x N ferroelectrics

Scandium-doped aluminum nitride, Al 1–x Sc x N, represents a new class of displacive ferroelectric materials with high polarization and sharp hysteresis along with high-temperature resilience, facile synthesizability and compatibility with standard CMOS fabrication techniques. The fundamental physics behind the transformation of unswitchable piezoelectric AlN into switchable Al–Sc–N ferroelectrics depends upon important atomic properties such as local structure, dopant distributions and the presence of competing mechanism of polarization switching in the presence of an applied electric-field that have not been understood. We computationally synthesize Al 1–x Sc x N to quantify the inhomogeneity of Sc distribution and phase segregation, and characterize its crystal and electronic structure as a function of Sc-doping. Nudged elastic band calculations of the potential energy surface and quantum molecular dynamics simulations of direct electric-field-driven ferroelectric switching reveal a crossover between two polarization reversal mechanisms—inhomogeneous nucleation-and-growth mechanism originating near Sc-rich regions in the limit of low applied fields and nucleation-limited-switching in the high-field regime. Finally, understanding polarization reversal pathways for these two mechanisms as well as the role of local Sc concentration on activation barriers provides design rules to identify other combinations of dopant elements, such as Zr, Mg etc. to synthesize superior AlN-based ferroelectric materials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Differential collision cross-sections for atomic oxygen: Analysis of space flight instruments for solar terrestrial physics

A summary of the status of the Cross-section Facility at MSFC is presented. A facility was designed, fabricated, assembled, tested, and operated for measurement of differential scattering cross sections important to understand the induced environment for a vehicle (e.g., Space Station) in low earth orbit. A user's manual for the facility is also presented. The performance of the facility was evaluated and found to be satisfactory in all the essential areas. Differential scattering cross sections were measured and results for the scattering measurements are included. Input to the development of the Ultraviolet Imager Optical System is also discussed. Design, fabrication, and evaluation of UV filters using a four-layer aluminum base are reported.

Torr, Douglas G.↗

Identification and evaluation of lubricants, adhesives, and seals used on LDEF

A variety of lubricants, adhesives, and seals were flown on Long Duration Exposure Facility (LDEF). They were used in the fabrication and assembly of the experiments similar to other spacecraft applications. Typically, these materials were not exposed to U.V. radiation or atomic oxygen, except possibly around the perimeter of the joints. Most of these materials were of secondary interest and were only investigated by visual examination and a 'Did they fall?' criteria. Because of this role, most applications had only a few specimens, not enough for statistical data generation. Often, no control samples were kept, and documentation of what was used was occasionally sketchy.

Keough, Bruce↗

Durable Mn-Based PGM-Free Catalysts for Polymer Electrolyte Membrane Fuel Cells

This proposed project aims to develop and evaluate novel manganese based, nitrogen-derived, PGM-free electrocatalysts (denoted as Mn-N-C) to fully address the membrane electrolyte assemblies (MEA)’s ionomer degradation issue resulting from iron. Four thrusts will be pursed in this proposed project. First, advanced first-principles computation methods will be employed to accelerate the rational catalyst design and synthesis. Second, an effective hydro-gel method will be used to maximize atomic Mn active sites embedded in carbon matrix. Next, state-of-the art methods in fuel cell companies will be used to fabricate MEAs containing the Mn-N-C catalysts. Finally, industry standards will be rigorously followed to evaluate fuel cell performance and durability of the Mn-N-C catalysts. With successful completion of the project, it is expected that the following outcomes will be achieved. (1) A set of MEAs containing the Mn-N-C catalysts and with active area large than 50 cm 2 for independent testing, (2) testing results demonstrating that the MEAs of Mn-N-C catalysts have mass activity of 0.044 A/cm 2 at 0.9 VIR-free and H 2 /air performance of 0.50 V at 1.0 A/cm 2 ; (3) fundamental understanding of the composition-structure-property relation of the PGM-free Mn- N-C catalysts, and (4) computational data, measurement data, and publications deposited into the database of ElectroCat Consortium.

08 HYDROGEN↗