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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 325 records · Page 18

Laboratory Studies of Processing of Carbonaceous Aerosols by Atmospheric Oxidants/Hygroscopicity and CCN Activity of Secondary & Processed Primary Organic Aerosols

The atmosphere is composed of a complex mixture of gases and suspended microscopic aerosol particles. The ability of these particles to take up water (hygroscopicity) and to act as nuclei for cloud droplet formation significantly impacts aerosol light scattering and absorption, and cloud formation, thereby influencing air quality, visibility, and climate in important ways. A substantial, yet poorly characterized component of the atmospheric aerosol is organic matter. Its major sources are direct emissions from combustion processes, which are referred to as primary organic aerosol (POA), or in situ processes in which volatile organic compounds (VOCs) are oxidized in the atmosphere to low volatility reaction products that subsequent condense to form particles that are referred to as secondary organic aerosol (SOA). POA and VOCs are emitted to the atmosphere from both anthropogenic and natural (biogenic) sources. The overall goal of this experimental research project was to conduct laboratory studies under simulated atmospheric conditions to investigate the effects of the chemical composition of organic aerosol particles on their hygroscopicity and cloud condensation nucleation (CCN) activity, in order to develop quantitative relationships that could be used to more accurately incorporate aerosol-cloud interactions into regional and global atmospheric models. More specifically, the project aimed to determine the products, mechanisms, and rates of chemical reactions involved in the processing of organic aerosol particles by atmospheric oxidants and to investigate the relationships between the chemical composition of organic particles (as represented by molecule sizes and the specific functional groups that are present) and the hygroscopicity and CCN activity of oxidized POA and SOA formed from the oxidation of the major classes of anthropogenic and biogenic VOCs that are emitted to the atmosphere, as well as model hydrocarbons. The general approach for this project was to carry out reactions of representative anthropogenic and biogenic VOCs and organic particles with ozone (O 3 ), and hydroxyl (OH), nitrate (NO 3 ), and chlorine (Cl) radicals, which are the major atmospheric oxidants, under simulated atmospheric conditions in large-volume environmental chambers. A combination of on-line and off-line analytical techniques were used to monitor the chemical and physical properties of the particles including their hygroscopicity and CCN activity. The results of the studies were used to (1) improve scientific understanding of the relationships between the chemical composition of organic particles and their hygroscopicity and CCN activity, (2) develop an improved molecular level theoretical framework for describing these relationships, and (3) establish a large database that is being used to develop parameterizations relating organic aerosol chemical properties and SOA sources to particle hygroscopicity and CCN activity for use in regional and global atmospheric air quality and climate models.

54 ENVIRONMENTAL SCIENCES↗

Gaussian Process for Flight Delay Prediction: Learning a Stochastic Process

This paper presents a machine-learning approach to predict flight delays. Whereas neural networks are extensively studied for predictive capabilities, they involve non-intuitive design and extensive analysis, particularly in training and optimization processes. Instead, the proposed framework employs Gaussian Processes as a supervised learning technique for flight delay prediction. This data-driven approach trains the model using prior information, specifically the mean and covariance tied to existing data. The proposed Gaussian Process Regression (GPR) model employs the day of flight as a pivotal feature for delay forecasting. We analyze flights from various routes and gauge the accuracy of the presented learning technique by comparing the predicted delays with the actual ones. Given the inherent challenges in precisely forecasting delays, we predict the delays with a 95 % confidence interval. Also, an error propagation analysis in the prediction horizon is carried out to determine the optimal time frame for prediction. The proposed method for flight delay prediction is important as airlines can strategize flight operations and issue timely advisories.

stochastic↗

Processing solubility enhancement and Nanoparticles dispersion enhanced Performance Materials through thermomagnetic processing

This research demonstrates that significantly enhanced materials microstructures and improved performance can be achieved by coupling two previously independent materials research concepts, namely, the thermo-magnetic processing (T-MP)1 and the electromagnetic acoustic transducer (EMAT)2 technologies. In prior, separate NHMFL research endeavors, ORNL researchers have demonstrated that: (1) thermo-magnetic processing (T-MP) can significantly enhance Ni solubility in Fe by up to 30%; and (2) using the electromagnetic acoustic transducer (EMAT) technology can significantly improve cast product homogeneity. Based on these earlier successful results, we proposed simultaneously coupling these two R&D approaches/eff ects (i.e., T-MP with EMAT), in order to simultaneously achieve: (1) enhanced elemental solid-solubility in Mg and in at least one Fe-based alloy; and (2) uniform dispersion of intentional additions of inert nanoparticles in Mg. Developing homogeneous dispersions of inert nanoparticles is and has been pursued as one of the holy grails for achieving unprecedented materials performance and highly desired mechanical properties, e.g., in creep and oxidation resistant alloys. Successfully coupling these two technologies would provide the ability to create uniquely controlled nano-scale microstructures that currently are unachievable by any other materials processing technologies.

36 MATERIALS SCIENCE↗

Cold Sintering Process of Composites: Bridging the Processing Temperature Gap of Ceramic and Polymer Materials

Co-sintering ceramic and thermoplastic polymer composites in a single step with very high volume fractions of ceramics seems unlikely, given the vast differences in the typical sintering temperatures of ceramics versus polymers. These processing limitations are overcome with the introduction of a new sintering approach, namely “cold sintering process” (CSP). CSP utilizes a transient low temperature solvent, such as water or water with dissolved solutes in stoichiometric ratios consistent with the ceramic composition, to control the dissolution and precipitation of ceramics and effect densification between room temperature and ≈200 °C. Under these conditions, thermoplastic polymers and ceramic materials can be jointly formed into dense composites. Three diphasic composite examples are demonstrated to show the overall diversity of composite material design between organic and inorganic oxides, including the microwave dielectric Li 2 MoO 4 –(-C 2 F 4 -) n , electrolyte Li 1.5 Al 0.5 Ge 1.5 (PO 4 ) 3 –(-CH 2 CF 2 -) x [-CF2CF(CF3)-] y, and semiconductor V 2 O 5 –poly(3,4-ethylenedioxythiophene) polystyrene sulfonate composites. Cold sintering is more general and shall have a major impact on the processing of composite materials for many different applications, mechanical, thermal, and electronic, to mention a few possibilities. CSP concepts open up new composite material design and device integration schemes, impacting a wide variety of applications.

36 MATERIALS SCIENCE↗

One–Step Fabrication of Nanocrystalline Nanonetwork SnO 2 Gas Sensors by Integrated Multilaser Processing

An integrated multilaser process is developed to fabricate nanocrystalline nanonetwork SnO 2 gas sensors in one integrated procedure, which combines electrodes fabrication, nanomaterials deposition, and postannealing. Interdigit electrodes are fabricated on an Au-coated fused silica substrate using a picosecond (ps) laser, which ablates the Au coating from the back of the substrate to pattern the electrodes. A novel transmitted Ps laser deposition (TPLD) process is designed to deposit SnO 2 nanonetwork on the interdigit electrodes with precise deposition area control under a close target-to-substrate distance. The obtained SnO 2 nanonetwork is in situ postannealed by a CO 2 laser to improve the crystallinity, while the nano morphology and grain size keep intact. To investigate the morphology and formation process of the nanonetwork, the microstructure of the laser-deposited SnO 2 layer is characterized. As a result, the crystallization control of CO 2 laser annealing is investigated through analyzing the Raman spectrum, X-ray diffraction (XRD) patterns, and lattice structures of the samples. By exposed to H 2 atmosphere, the fabricated gas sensor is demonstrated for H 2 monitoring.

08 HYDROGEN↗

Study of a Single-Power Two-Circuit ESR Process with Current-Carrying Mold: Mathematical Simulation of the Process and Experimental Verification

A novel single-power two-circuit ESR process (ESR-STCCM) with current-carrying mold has been investigated via numerical simulation and experimental research in this paper. A 2D quasi-steady-state mathematical model is developed to describe ESR-STCCM. The electromagnetic field, flow field, slag pool temperature distribution, and the shape of a molten steel pool in ESR-STCCM have been investigated by FLUENT software as well as user-defined functions (UDF). The results indicate that ESR-STCCM is different from the conventional ESR process. The maximum electromagnetic force, current density, Joule heat, and slag pool flow velocity are located in the lower part of the conductor in the ESR-STCCM process. The direction of the maximum electromagnetic force inclines upward. There are two distinct vortices in the slag pool. The larger swirl rotates counterclockwise near the conductor, with a value of 0.0263 m s{sup −1} due to the interaction of the electromagnetic force and gravity. The maximum temperature of the slag pool is 2070 K (1797 °C) and is located in the center of the swirl with a filling ratio of 0.6 and a 20 mm electrode immersion depth. The depth of a molten steel pool is shallower, which is conducive to improving solidification quality. In addition, the filling ratio of 0.6 is conducive to controlling steel solidification quality. Some experiments have been done, and the numerical model is confirmed by experimental results.

36 MATERIALS SCIENCE↗

The SCALE/AMPX multigroup cross section processing for fast reactor analysis

The SCALE/AMPX multigroup (MG) cross section processing procedure has been updated to minimize reactivity differences for fast reactor designs and boiling water reactors (BWRs) with very high void fractions to provide excellent agreement with continuous-energy reference calculations. SCALE MG calculations are widely applied to thermal spectrum light-water reactor (LWR) systems as well as fast spectrum metallic systems of interest to National Nuclear Security Administration. With growing interest from industry and regulators in applying SCALE for the design of fast spectrum reactors, both sodium and molten salt, and in the licensing of power up rates for BWRs, it is desirable to review the SCALE/AMPX procedure for unresolved resonance self-shielded data and high energy neutron spectra. The data were improved by generating MG unresolved resonance data based on the analytic probability table method with the narrow resonance approximation as well as the use of a very fine group structure typically used in fast system analysis. This study focused on verifying the probability table and the SCALE/AMPX MG cross section processing procedure by performing reaction rate analysis and benchmark calculations for various fast reactor and high void BWR systems. Here, results indicate that the improved SCALE/AMPX MG cross section processing provides excellent results for the fast reactor analysis.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

CO 2 utilization potential of a novel calcium ferrite based looping process fueled with coal: Experimental evaluation of various coal feedstocks and thermodynamic integrated process analysis

Here, conversion of CO 2 to CO was performed at 800-850C via reduction of calcium ferrite (CaFe 2 O 4 ) with coal followed by oxidation of reduced CaFe 2 O 4 with CO 2 to produce CO and partially oxidized Ca ferrite. The process was evaluated with several types of coals which included lignite, sub-bituminous, bituminous, anthracite and pet-coke. Reduction of CaFe 2 O 4 with sub-bituminous coal and lignite coal was more favorable than that with higher rank coals. Stable reactivity performance was demonstrated for 35-cycle test conducted with lignite coal/CaFe 2 O 4 at 800°C and with high conversion of CO 2 to CO. The rate of conversion of CO 2 to CO with reduced CaFe 2 O 4 was found to be 1st order with respect to CO 2 and had a low activation energy of 7.4 kJ/mol. Thermodynamic integrated process assessments suggest that two and three reactor process concepts can be realized and net CO 2 utilization achievable. The two reactor configuration shows the highest potential for CO 2 utilization while generating a value-added CO rich syngas stream.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Defect chemistry of phospho-olivine nanoparticles synthesized by a microwave-assisted solvothermal process

Nanocrystalline LiFePO{sub 4} powders synthesized by a microwave-assisted solvothermal (MW-ST) process have been structurally characterized with a combination of high resolution powder neutron diffraction, synchrotron X-ray diffraction, and aberration-corrected HAADF STEM imaging. A significant level of defects has been found in the samples prepared at 255 and 275 °C. These temperatures are significantly higher than what has previously been suggested to be the maximum temperature for defect formation in LiFePO{sub 4}, so the presence of defects is likely related to the rapid MW-ST synthesis involving a short reaction time (∼5 min). A defect model has been tentatively proposed, though it has been shown that powder diffraction data alone cannot conclusively determine the precise defect distribution in LiFePO{sub 4} samples. The model is consistent with other literature reports on nanopowders synthesized at low temperatures, in which the unit cell volume is significantly reduced relative to defect-free, micron-sized LiFePO{sub 4} powders. - Graphical abstract: Temperature-dependent antisite defect formation has been observed in nanocrystalline LiFePO{sub 4} powders synthesized by a microwave solvothermal process, using high resolution diffraction and STEM imaging. Display Omitted - Highlights: • LiFePO{sub 4} nanopowders synthesized by a microwave-assisted solvothermal process. • Defects directly observed by aberration-corrected HAADF STEM imaging. • Antisite defects present from synthesis at 255 and 275 °C. • Defects present from higher temperature synthesis than previously reported. • Powder diffraction data have been analyzed in detail for various defect models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tuning the reactivity of Al/Fe{sub 2}O{sub 3} nanoenergetic materials via an approach combining soft template self-assembly with sol–gel process process

A bottom-up approach combining soft template self-assembly with sol–gel process, was adopted to prepare the assembled Al/Fe{sub 2}O{sub 3} nanoenergetic materials, assembly-Al/Fe{sub 2}O{sub 3} sample. The other two unassembled Al/Fe{sub 2}O{sub 3}a nanoenergetic materials, sol–gel–Al/Fe{sub 2}O{sub 3} sample and mixing-Al/Fe{sub 2}O{sub 3} sample, were prepared by sol–gel method and physical mixing method respectively. The assembly process within the preparation of the assembly-Al/Fe{sub 2}O{sub 3} sample was analyzed through the changes in the average hydrodynamic diameters of the particles and the micelles in solution. SEM, EDS and TEM tests were performed to demonstrate a significant improvement regarding to dispersity and arrangements of the Al and Fe{sub 2}O{sub 3} particles in the assembled samples, compared to that of the unassembled Al/Fe{sub 2}O{sub 3} samples. DSC test was employed to characterize the reactivity of the samples. The heat release of the assembled Al/Fe{sub 2}O{sub 3} sample was 2088 J/g, about 400 and 990 J/g more than that of the sol–gel–Al/Fe{sub 2}O{sub 3} sample and mixing-Al/Fe{sub 2}O{sub 3} sample, respectively. - Graphical abstract: Modified aluminum (Al) nanoparticles with hydrophobic surface assembled into the Brij S10 micelle in Fe(III) sol, then the well dispersed system was transformed into Al/Fe{sub 2}O{sub 3} nanoenergetic materials with high reactivity. - Highlights: • An approach combining soft template self-assembly with sol–gel process was adopted. • The aggregation of Al nanoparticles in the final product was reduced significantly. • The reactivity of Al/Fe{sub 2}O{sub 3} nanoenergetic materials was improved to a large extent.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effects of pyrolysis conditions on dielectric properties of PLZT films derived from a polyvinylpyrrolidone-modified sol-gel process

Graphical abstract: SEM images showing the surface morphology of PLZT films derived from solutions with various PVP content and treated with either RTA (rapid thermal annealing) or SPT (step-wise preheat treatment) process. Highlights: Black-Right-Pointing-Pointer High-quality PLZT films were fabricated by using a polyvinylpyrrolidone-modified sol-gel method. Black-Right-Pointing-Pointer Improved film density and integrity was achieved by employing a novel step-wise preheat treatment (SPT) process. Black-Right-Pointing-Pointer Enhanced dielectric properties were correlated to the improved microstructures as a result of the SPT process. -- Abstract: Pb{sub 0.92}La{sub 0.08}Zr{sub 0.52}Ti{sub 0.48}O{sub 3} (PLZT) films were deposited on platinized silicon substrates (Pt/Si) using a polyvinylpyrrolidone (PVP) modified sol-gel method. Pyrolysis of the green films was conducted via two methods: rapid thermal annealing (RTA) and a step-wise preheat treatment (SPT). Microstructure analysis and dielectric property characterization were performed on samples treated by these two methods. Results showed that the SPT-pyrolyzed films exhibited much better dielectric properties when compared with the RTA-pyrolyzed films. The differences in dielectric properties were correlated to microstructural features caused by the different pyrolysis conditions. High-quality PLZT films with high dielectric constant ( Almost-Equal-To 860 at zero bias) and high breakdown strength ( Almost-Equal-To 2.1 MV/cm) were fabricated under controlled pyrolysis conditions. This work demonstrated the potential application of this material for power electronics in electric drive vehicles.

36 MATERIALS SCIENCE↗