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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 1,405 records · Page 78

Microwave Irradiation Intensified Process for Scalable Functional Device Assembly

The environment pollution is a serious issue worldwide for human beings, which calls for ever-increasing demand towards environmental protection. Efficient enabling and utilization of various functional devices represent an essential solution to pursue the environment sustainability. Nanotechnology is emerging as an effective approach to improve the efficiency of functional devices for a variety of environmental applications. For example, the nanomaterials-based catalysts are being widely used in air pollution control, enabling catalysts with significantly enhanced performance. Scalable integration of functional nanostructural entities such as nanoparticles, nanowires, nanosheets into applicable three-dimensional (3-D) platform holds the keys of industrial-relevant manufacture of high-efficiency catalytic devices for emission control. Among all the integration approaches, the wet-chemical based integration is one of the top options due to its advantages in low-cost, flexibility in substrate geometry and composition, ease of operation, and high repeatability. The wet-chemical based processes usually require continuous heating to initiate the chemical reactions, which is regularly achieved by conventional resistive heating. However, such conventional heating method is plaqued by a poor heating efficiency. Moreover, the conventional heating is not suitable for those substrates with three-dimensional (3D) or complex geometry since it hardly provides sufficient heat transfer and mass transport within substrates, leading to poor uniformity of nanostructure deposition and low production rate. Thus, there is urgent demand to develop high-efficiency wet-chemical based integration strategy for nanostructured functional devices. In this project, a novel microwave-irradiation-intensified hydrothermal manufacturing process was developed for scalable manufacture of nanostructured monolithic catalytic devices. A wide array of metal oxide nanostructured coatings has been in situ grown on various 3D substrates for emission control applicaitons such as cordierite honeycombs and silicon carbide honeycomb. The growth efficiency, production rate, and distribution uniformity of nanostructure coatings obtained from microwave heating and conventional heating are investigated, which reveals the boosting effect of microwave irradiation on hydrothermal reactions. The silicon carbide honeycomb is found to be more favorable to microwave adsorption in contrast to cordierite honeycomb, and the corresponding reaction mechanism is studied. The obtained catalysts are used for catalytic oxidation of Volatile Organic Compounds (VOCs), showing excellent catalytic performance at low temperature for various compounds. As the proof of concept, the design of integrated manufacturing system for the microwave irradiation assisted continuous production of nanostructure array based monolithic catalysts is presented, which holds the key to mass production of monolithic catalysts in near future.

42 ENGINEERING↗

SCALE modeling of foil irradiations at WSU’s TRIGA with sensitivity/uncertainty analysis

We report the Washington State University TRIGA reactor was modeled in the SCALE system’s KENO neutron transport code. The model includes 119 fuel rods, a central boral control rod, 4 control blades, 5 irradiation ports, and 20 graphite reflector blocks within a rectangular aluminum grid box. The model accurately simulated the irradiation of depleted uranium and highly enriched uranium foils and predicted reaction rate ratios for 238 U(n,2n) 237 U / 238 U(n,γ) 239 U and 99 Mo / fission, which compared favorably to empirical values previously measured at Los Alamos. Finally, a sensitivity/uncertainty analysis was performed using the continuous-energy TSUNAMI-3D module of SCALE.

237Np↗

Proton transfer kinetics of transition metal hydride complexes and implications for fuel-forming reactions

Proton transfer reactions involving transition metal hydride complexes are prevalent in a number of catalytic fuel-forming reactions, where the proton transfer kinetics to or from the metal center can have significant impacts on the efficiency, selectivity, and stability associated with the catalytic cycle. Here, this review correlates the often slow proton transfer rate constants of transition metal hydride complexes to their electronic and structural descriptors and provides perspective on how to exploit these parameters to control proton transfer kinetics to and from the metal center. A toolbox of techniques for experimental determination of proton transfer rate constants is discussed, and case studies where proton transfer rate constant determination informs fuel-forming reactions are highlighted. Opportunities for extending proton transfer kinetic measurements to additional systems are presented, and the importance of synergizing the thermodynamics and kinetics of proton transfer involving transition metal hydride complexes is emphasized.

08 HYDROGEN↗

A review of fluids under nanoconfinement: Reactivity, geomechanics, phase transitions, and flow

Due to its many industrial applications, the physics associated with the nanoconfinement of fluids has garnered great attention from the scientific community in roughly the last fifteen years. One pioneer of that research has been the Multi-Scale Fluid-Solid Interactions in Architected and Natural Materials (MUSE) Energy Frontier Research Center, which produced more than 50 journal articles from 2018 to 2023. We structure the findings of MUSE into four categories and contextualize the work with the broader literature. Here, the four categories are (1) the dependence of chemical reactions on the degree of confinement, which given the lower freedom of motion of molecules yet improved availability of reaction sites generally lead to enhancement from bulk reactions; (2) the mechanical properties of the porous matrix, which are dependent on the heterogeneity of the system in terms of both composition and structure; (3) the phase transitions under nanoconfinement, which are influenced by the pore size and morphology, surface chemistry, and substrate composition; and (4) the physical controls of slip flow, which demonstrate the importance of several factors, such as wettability. These aspects of nanoconfinement are becoming clearer, but there are other elements such as mathematical theory that are still being developed.

58 GEOSCIENCES↗

Apparatus for production, measurement and reaction studies of dissociated gases at elevated temperatures

An apparatus is described which is used for the controlled production, characterization, and study of dissociated gases in a microwave discharge at elevated temperatures. A unique feature is the ability to produce and study a microwave discharge plasma in the heated zone. This allows elevated temperature reactions to be studied in high concentrations of dissociated gases. Further, the system permits weight change measurements of specimens in the plasma, thus facilitating reaction rate determinations. Included is a description of a cavity for use on a 50-mm diameter cylindrical reactor. The effects of flow rate, pressure, temperature, power, metal sample, and sampling position on dissociation percentage of oxygen in the apparatus are described as well as a technique for sample temperature measurements in the plasma which permits determination of high temperature recombination coefficients and reaction rates.

Christian, J. D.↗

Space Shuttle Program Progress Report

A status report is presented on progress in the design, manufacturing and testing of components of the space transportation system (STS), and primarily the Space Shuttle vehicles. Project landmarks from 1969 to 1981 are indicated, fabrication of the Shuttle Orbiter and rollout of the first prototype are described, fabrication and assembly of some Orbiter parts are sketched, and some of the subsystems (thermal protection, avionics, maneuvering aids, reaction control, remote manipulator) are described. Also discussed are: Orbiter carrier aircraft, Shuttle main engine and tests, external fuel tank, solid rocket booster, launch and landing facilities. A separate section is devoted to ground tests (vibration, propulsion, electronics, avionics integration), trainers and simulators, and flight tests (captive flight, free flight, landing and approach, orbital flight).

Thompson, R. F.↗

An Experimental Feasibility Study on Applying Neutron Tomography to Encapsulated Spent Nuclear Fuel - 20050

Visual inspection makes easier to ensure the integrity and safety of spent nuclear fuel (SNF) than any classical techniques. Various classical techniques have been applied but there are no reliable methods to qualitatively and quantitatively verify spent fuel in dry storage. Thus, the present authors have developed the prototype safeguards apparatus for dry storage employing the array of He-4 gas scintillation detectors (S670E, Arktis Radiation Detectors Ltd., Switzerland), newly designed to simultaneously measure thermal and fast neutrons without any moderators. The S670E detector has a cylindrical shape with a diameter of 52 mm and active length of 600 mm (total length: 875 mm). The detector is filled by He-4 gas with an approximate pressure of 180 bar for fast neutron detection, and its inner wall is coated by Li-6 for thermal neutron detection. The scintillation lights generated via Li-6 nuclear reaction and elastic scattering are collected by 24 SiPMs linearly paired at the center of the detector. The detector delivers a TTL (Transistor-Transistor Logic) output for pulse readout and UART (Universal Asynchronous Receiver Transmitter) for device control. In order to assess feasibility of the apparatus, an experimental system has been designed, built, and optimized via computational studies. Cf-252 neutron sources and linearly arrayed detectors, working as a single detector, were occupied for this study due to the difficulties in working with SNF. The laboratory scale cask (diameter: 0.67 m, height: 1.5 m), minimized by a factor of 10 compared to the actual thickness of a commercial TN-32 cask, was also manufactured. The detector array was designed to rotate the lab-scale cask and obtain 36 image profiles at every 10 degrees. All profiles were aligned in single frame image called a sinogram, and the cross-sectional image was then fabricated by the inverse radon transform algorithm. These experiments have been repeated with different configurations and numbers of sources. Some gamma-ray sources were also measured with neutron sources in order to distinguish between neutron and gamma-ray pulses. Basically, a He-4 detector is designed to run on Linux OS so it is difficult to directly apply to Windows-based equipment widely used in S. Korea. Therefore, a new data acquisition board working on Windows OS was designed and built. The board mainly consists of FPGA (Field Programmable Gate Array) and SoC (System on Chip) for TTL pulse readout, sorting measured data, and transferring data to a user interface. In conclusion, the tomographic system at lab-scale has shown considerable potential to detect a partial or gross defect of encapsulated assemblies in dry storage. Next steps of this study will be to 1) repeatedly carry out experiments to demonstrate scientific reliability and validity, and 2) numerically integrate signals with weight factors to enhance the image quality since the suggested system based on passive interrogation method requires longer measurement time. Finally, the system will apply to a commercial dry storage phased out soon in S. Korea. (authors)

07 ISOTOPE AND RADIATION SOURCES↗

Considerations for Thrust Vector Control (TVC) In-Flight Load Predictions

This presentation communicates an overview of a methodology developed by the National Aeronautics and Space Administration (NASA) Marshall Space Flight Center (MSFC) Thrust Vector Control (TVC) Systems Integration & Components Branch (MSFC-ER63). The methodology is based on NASA heritage TVC design practices and is designed to analyze the summation of static and quasi-static environments acting on a gimbaled rocket engine/motor system. The analysis determines the maximum overall expected induced torque acting on the rocket engine/motor system about the gimbal center of rotation and assumes a mathematical 3-Dimensional (3D) 2-Degree-of-Freedom (DOF) rigid-body pendulum model over a predefined range of angular motion. Additionally, it calculates the associated reaction force acting along a TVC actuator line-of-action (LOA) to maintain thrust vector holding operations. This methodology is particularly useful for determining maximum overall design loads for TVC actuator design-space shaping and requirements determination.

Thrust Vector Control↗

Attitude determination and control system (ADCS), sun sensor, and star tracker

An ADCS module may be configured to use coordinate data from 2D photodiodes in one or more sun sensors to determine a sun vector. The ADCS module may then use the sun vector in reference to its own body faced (BF) coordinate system to calculate a change in the orientation of the space vehicle. The change in orientation mechanism may be accomplished by reaction wheels, ion thrusters, or other orientation altering mechanisms. A miniature, intelligent star tracker may be included that improves satellite attitude determination and pointing accuracy. An improved reaction wheel assembly may be included that is more robust and suitable for inclusion in small space vehicles.

79 ASTRONOMY AND ASTROPHYSICS↗

Dimensional Control over Metal Halide Perovskite Crystallization Guided by Active Learning

Metal halide perovskite (MHP) derivatives, a promising class of optoelectronic materials, have been synthesized with a range of dimensionalities that govern their optoelectronic properties and determine their applications. We demonstrate a data-driven approach combining active learning and high-throughput experimentation to discover, control, and understand the formation of phases with different dimensionalities in the morpholinium (morph) lead iodide system. Using a robot-assisted workflow, we synthesized and characterized two novel MHP derivatives that have distinct optical properties: a one-dimensional (1D) morphPbI 3 phase ([C 4 H 10 NO][PbI 3 ]) and a two-dimensional (2D) (morph) 2 PbI 4 phase ([C 4 H 10 NO] 2 [PbI 4 ]). To efficiently acquire the data needed to construct a machine learning (ML) model of the reaction conditions where the 1D and 2D phases are formed, data acquisition was guided by a diverse-mini-batch-sampling active learning algorithm, using prediction confidence as a stopping criterion. Querying the ML model uncovered the reaction parameters that have the most significant effects on dimensionality control. Based on these insights, we discuss possible reaction schemes that may selectively promote the formation of morph-Pb-I phases with different dimensionalities. The data-driven approach presented here, including the use of additives to manipulate dimensionality, will be valuable for controlling the crystallization of a range of materials over large reaction-composition spaces.

36 MATERIALS SCIENCE↗

Hesitation in tracking induced by a concurrent manual task

When people are required to track with one hand and perform occasional discrete responses with the other hand, there is a strong possibility that errors will be induced in tracking attributable to the simultaneous action by the other. This problem was investigated by pairing pursuit tracking (right hand) with a handle movement response (left hand) guided by an auditory stimulus. Tracking is assumed to represent flight control and the left hand response to represent other aspects of aircraft system management. The general goal of this research is to identify the types of errors induced into tracking by the requirement of a secondary response with the other hand. An attempt is reported to determine if hesitations can be reduced further by combining tracking emphasis with a higher degree of practice. It is concluded that there is a tendency to freeze the tracking response when a discrete simultaneous response is required of the other hand. By contrast, practice seems to reduce hesitations while also improving left hand reaction time. Thus there appears to be a mode of control which permits tracking and discrete simultaneous responses to occur together.

Kelly, P. A.↗

Deciphering Fingerprints of Stellar Nucleosynthesis Through Nuclear Reaction Rate Measurements and Isotopic Analyses of Stardust

Microscopic stardust grains, found in trace amounts in primitive meteorites, afford a unique opportunity to study stellar nucleosynthesis in the laboratory by measuring their heavy element isotopic compositions. Applying LLNL’s state-of-the art material characterization capabilities to these micrometer-sized grains yields large new datasets with unprecedented precision. However, the astrophysical models necessary to interpret the isotopic record require improved nuclear physics data to constrain stellar nucleosynthesis conditions. For example, the branch point in the s-process path at 95 Zr controls the relative amounts of heavier nuclides but is poorly understood. We conducted a coordinated effort across disciplines to combine a new determination of the neutron capture cross section of 95 Zr with the laboratory analysis of hundreds of stardust grains to yield a view into stellar interiors. We developed new methods to quantify multiple isotopic systems simultaneously (e.g., Zr, Ba, and W) in stardust grains and improved the determination of the neutron capture cross section of unstable 95 Zr via the surrogate reaction method. This interdisciplinary approach is allowing us to fill gaps in our understanding of the environments in which elements are produced while enhancing LLNL’s experimental and theoretical capabilities relevant to nuclear threat reduction missions.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Deciphering Fingerprints of Stellar Nucleosynthesis Through Nuclear Reaction Rate Measurements and Isotopic Analyses of Stardust

Microscopic stardust grains, found in trace amounts in primitive meteorites, afford a unique opportunity to study stellar nucleosynthesis in the laboratory by measuring their heavy element isotopic compositions. Applying LLNL’s state-of-the art material characterization capabilities to these micrometer-sized grains yields large new datasets with unprecedented precision. However, the astrophysical models necessary to interpret the isotopic record require improved nuclear physics data to constrain stellar nucleosynthesis conditions. For example, the branch point in the s-process path at 95 Zr controls the relative amounts of heavier nuclides but is poorly understood. We conducted a coordinated effort across disciplines to combine a new determination of the neutron capture cross section of 95 Zr with the laboratory analysis of hundreds of stardust grains to yield a view into stellar interiors. We developed new methods to quantify multiple isotopic systems simultaneously (e.g., Zr, Ba, and W) in stardust grains and improved the determination of the neutron capture cross section of unstable 95 Zr via the surrogate reaction method. This interdisciplinary approach is allowing us to fill gaps in our understanding of the environments in which elements are produced while enhancing LLNL’s experimental and theoretical capabilities relevant to nuclear threat reduction missions.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Role of Hydrogen Bonding in Photoinduced Electron-Proton Transfer from Phenols to a Polypyridine Ru Complex with a Proton-Accepting Ligand

Electron-proton transfer, EPT, from phenols to a triplet MLCT-excited Ru polypyridine complex containing an uncoordinated nitrogen site, 1(T), can be described by a kinetic model that accounts for the H-bonding of 1(T) to phenol, 1(T) to solvent, and phenol to solvent. The latter plays a major role in the kinetic solvent effect and commonly precludes simultaneous determination of the EPT rate constant and 1(T)-phenol H-bonding constant. A number of these quantities previously reported for similar systems are shown to be in error due to an inconsistent data analysis. In conclusion, control experiments replacing either 1(T) by its structural isomer with a sterically screened nitrogen site or phenol by its H-bonding surrogate, trifluoroethanol, and the observation of negative activation enthalpies for the overall reactions between 1(T) and phenols lend support to the proposed model and provide evidence for the formation of a precursor H-bonded complex between the reactants, which is a prerequisite for EPT.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluating a Laboratory Flume Microbiome as a Window Into Natural Riverbed Biogeochemistry

Riverbeds are hotspots for microbially-mediated reactions that exhibit pronounced variability in space and time. It is challenging to resolve biogeochemical mechanisms in natural riverbeds, as uncontrolled settings complicate data collection and interpretation. To overcome these challenges, laboratory flumes are often used as proxies for natural riverbed systems. Flumes capture spatiotemporal variability and thus allow for controlled investigations of riverbed biogeochemistry. These investigations implicitly rely on the assumption that the flume microbiome is similar to the microbiome of natural riverbeds. However, this assumption has not been tested and it is unknown how the microbiome of a flume compares to natural aquatic settings, including riverbeds. To evaluate the fundamental assumption that a flume hosts a microbiome similar to natural riverbed systems, we used 16s rRNA gene sequencing and publicly available data to compare the sediment microbiome of a single large laboratory flume to a wide variety of natural ecosystems including lake and marine sediments, river, lake, hyporheic, soil, and marine water, and bank and wetland soils. Richness and Shannon diversity metrics, analyses of variance, Bray-Curtis dissimilarity, and analysis of the common microbiomes between flume and river sediment all indicated that the flume microbiome more closely resembled natural riverbed sediments than other ecosystems, supporting the use of flume experiments for investigating natural microbially-mediated biogeochemical processes in riverbeds.

54 ENVIRONMENTAL SCIENCES↗

Electromagnetic containerless reaction of samarium with cobalt for the formation of samarium-cobalt alloys

The electromagnetic levitation technique has been used to obtain nearly stoichiometric SmCo5, with the reaction temperature controlled by a gas jet. The results of several experiments carried out at a 450 kHz, 25 kw RF power levitation facility using different reaction times and cooling rates are presented. It is shown that reaction rates achieved with the levitation technique are larger than the expected diffusion rate in the system liquid samarium-solid cobalt. It is also shown that substantial mixing occurs in the RF-levitated melt.

Chang, C. W.↗

Tropospheric Chemistry

The fundamental processes that control the chemical composition and cycles of the global troposphere and how these processes and properties affect the physical behavior of the atmosphere are examined. The long-term information needs for tropospheric chemistry are: to be able to predict tropospheric responses to perturbations, both natural and anthropogenic, of these cycles, and to provide the information required for the maintenance and effective future management of the atmospheric component of our global life support system. The processes controlling global tropospheric biogeochemical cycles include: the input of trace species into the troposphere, their long-range transport and distribution as affected by the mean wind and vertical venting, their chemical transformations, including gas to particle conversion, leading to the appearance of aerosols or aqueous phase reactions inside cloud droplets, and their removal from the troposphere via wet (precipitation) and dry deposition.

Mohnen, V.↗