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At least 523 records · Page 29

Chemical Kinetic Method for Active-Site Quantification in Fe-N-C Catalysts and Correlation with Molecular Probe and Spectroscopic Site-Counting Methods

Mononuclear Fe ions ligated by nitrogen (FeN x ) dispersed on nitrogen-doped carbon (Fe-N-C) serve as active centers for electrocatalytic O 2 reduction and thermocatalytic aerobic oxidations. Despite their promise as replacements for precious metals in a variety of practical applications, such as fuel cells, the discovery of new Fe-N-C catalysts has relied primarily on empirical approaches. In this context, the development of quantitative structure–reactivity relationships and benchmarking of catalysts prepared by different synthetic routes and by different laboratories would be facilitated by the broader adoption of methods to quantify atomically dispersed FeN x active centers. In the present study, we develop a kinetic probe reaction method that uses the aerobic oxidation of a model hydroquinone substrate to quantify the density of FeN x centers in Fe- N-C catalysts. The kinetic method is compared with low-temperature Mössbauer spectroscopy, CO pulse chemisorption, and electrochemical reductive stripping of NO derived from NO 2 – on a suite of Fe-N-C catalysts prepared by diverse routes and featuring either the exclusive presence of Fe as FeN x sites or the coexistence of aggregated Fe species in addition to FeN x . The FeN x site densities derived from the kinetic method correlate well with those obtained from CO pulse chemisorption and Mössbauer spectroscopy. The broad survey of Fe-N-C materials also reveals the presence of outliers and challenges associated with each site quantification approach. Furthermore, the kinetic method developed here does not require pretreatments that may alter active-site distributions nor specialized equipment beyond reaction vessels and analytical instrumentation (e.g., NMR).

36 MATERIALS SCIENCE↗

Tracking the topology of neural manifolds across populations

Neural manifolds summarize the intrinsic structure of the information encoded by a population of neurons. Advances in experimental techniques have made simultaneous recordings from multiple brain regions increasingly commonplace, raising the possibility of studying how these manifolds relate across populations. However, when the manifolds are nonlinear and possibly code for multiple unknown variables, it is challenging to extract robust and falsifiable information about their relationships. We introduce a framework, called the method of analogous cycles, for matching topological features of neural manifolds using only observed dissimilarity matrices within and between neural populations. We demonstrate via analysis of simulations and in vivo experimental data that this method can be used to correctly identify multiple shared circular coordinate systems across both stimuli and inferred neural manifolds. Conversely, the method rejects matching features that are not intrinsic to one of the systems. Further, as this method is deterministic and does not rely on dimensionality reduction or optimization methods, it is amenable to direct mathematical investigation and interpretation in terms of the underlying neural activity. We thus propose the method of analogous cycles as a suitable foundation for a theory of cross-population analysis via neural manifolds.

97 MATHEMATICS AND COMPUTING↗

Population Count on Intel® CPU, GPU, and FPGA

Population count is a primitive used in many applications. Commodity processors have dedicated instructions for achieving high-performance population count. Motivated by the productivity of high-level synthesis and the importance of population count, in this paper we investigated the OpenCL implementations of population count algorithms, and evaluated their performance and resource utilizations on an FPGA. Based on the results, we select the most efficient implementation. Then we derived a reduction pattern from a representative application of population count. We parallelized the reduction with atomic functions, and optimized it with vectorized memory accesses, tree reduction, and compute-unit duplication. We evaluated the performance of the reduction kernel on an Intel (R) Xeon (R) CPU and an Intel (R) IrisT Pro integrated GPU, and an FPGA card that features an Intel (R) Arria (R) 10 FPGA. When DRAM memory bandwidth is comparable on the three computing platforms, the FPGA can achieve the highest kernel performance for large workload. On the other hand, we described performance bottlenecks on the FPGA. To make FPGAs more competitive in raw performance compared to high-performant CPU and GPU platforms, it is important to increase external memory bandwidth, minimize data movement between a host and a device, and reduce OpenCL runtime overhead on an FPGA.

heterogeneous computing↗

Moltensaltpropnet

MoltenSaltPropnet is a physics-informed machine learning framework that aims to predict the thermophysical properties of molten fluoride and chloride salt mixtures, which are crucial for the design and safety of Generation IV molten salt reactors. The code processes data from the Molten-Salt Thermal Properties Database (MSTDB-TP) and the Janz compendium, converting critically evaluated correlations into fast, differentiable surrogate models for density, viscosity, thermal conductivity, and heat capacity across 448 distinct salt systems. The implementation consists of several key components: 1. Data Curation: The code parses and cleans the raw data, normalizing elemental mole fractions and extracting relevant regression coefficients for various thermophysical properties. 2. Feature Engineering: It generates fixed-length numerical descriptors that encapsulate the composition and temperature, incorporating polynomial interaction terms and dimensionality-reduction techniques to optimize model performance. 3. Coefficient Learning: Four different machine learning architectures are employed: a deep residual network (ResNet), a Kolmogorov–Arnold network (KAN), a sparsity-inducing neural network (SNN), and classical regression models. Each model learns to predict coefficients that define the temperature-dependent correlations for the thermophysical properties. 4. Property Reconstruction: The predicted coefficients are used to compute temperature-dependent property values, ensuring positivity and monotonic trends through a composite loss function that enforces physical constraints. 5. User Interface: An open-source web application enables users to filter the database, train task-specific models, and visualize the results, allowing for rapid exploration of candidate salt mixtures. MoltenSaltPropnet bridges the gap between limited experimental data and high-fidelity reactor simulations, providing a powerful tool for researchers in the field of molten salt reactors and advanced nuclear energy systems.

Retamales, Mauricio Eduardo Tano [Idaho National L↗

Deep Learning-based Parameterization of Complex 3D CO2 Saturation Data in Large-scale Geological Carbon Storage

In deep learning (DL), dimension reduction plays a pivotal role in improving training efficiency and minimizing overfitting, especially when working with complex datasets like three-dimensional (3D) saturation data. In the context of geological carbon storage (GCS), 3D saturation data introduces unique challenges due to its sparse nature and sharp transitions at plume boundaries, known as shock fronts. To tackle these challenges, we developed a novel DL framework that combines dimension reduction with advanced 3D reconstruction techniques. Our approach utilizes latent variables derived from 2D average saturation fields to efficiently capture the essential features of high-dimensional data while reducing the number of variables. This enhances both the robustness and accuracy of DL models, making the framework more practical for real-world applications. By offering a tailored solution for modeling complex 3D saturation dynamics, this framework holds significant potential for environmental monitoring, energy storage, and other geological applications.

Wang, Hongsheng [University of Texas at Austin]↗

Lunar cartography with the Apollo 17 ALSE radar imagery

Lunar position differences between thirteen craters in Mare Serenitatis were computed from VHF radar-imagery obtained by the Lunar Sounder instrument flown on the Apollo 17 command module. The radar-derived position differences agree with those obtained by conventional photogrammetric reductions of Apollo metric photography. This demonstrates the feasibility of using the Apollo Lunar Sounder data to determine the positions of lunar features along the Apollo 17 orbital tracks. This will be particularly useful for western limb and farside areas, where no Apollo metric camera pictures are available.

Tiernan, M.↗

Developments in testing airfoil techniques at University of Southampton

The evolution in Europe of the flexible walled test section, as applied to two dimensional testing at low and transonic speeds, is traced from its beginnings at NPL, London, in the early 1940's, and is shown to lead logically to the latest version now nearing completion at Southampton University. The principal changes that have taken place are improvements in the methods of choosing wall contours such that they rapidly follow appropriate streamlines, and reductions in the depth of test sections. The latest transonic test section presently under assembly at Southampton has, as its principal new feature, the facility for the automation of wall streamlining with the aid of an on-line computer. The versatility of the flexible walled test section is emphasized by reference to the simulation of alternative flows including cascade, steady pitching in an infinite flowfield, and ground effect. Finally, sources of error in streamlining are identified, with methods for their alleviation.

Goodyer, M. J.↗

Planetary geodetic control using satellite imaging

A new data type for planetary geodetic control using natural satellite imaging is presented. Spacecraft images of natural satellites against the planet give a direct tie between inertial space and surface features surrounding the satellite image. This technique is expected to offer a factor of 3-10 improvement in accuracy over present geodetic reduction for Mars. A specific example using Viking imaging of Phobos against Mars is given.

Duxbury, T. C.↗

Overview of airframe technology in the NASA High-Speed Research Program

NASA's Phase I High-Speed Research Program has been established to develop solutions for critical environmental issues confronting the next-generation U.S. SST, or High-Speed Civil Transport (HSCT). Attention is presently given to the ways in which HSCT environmental acceptability is affected by such airframe-technology features as laminar flow control, advanced high-lift systems for TO&L, and contour tailoring for sonic-boom minimization. The reduction of sonic booms is economically critical to the HSCT, in that it will permit overland flight at supersonic speeds and therefore maximize the reduction in long-range flight times.

Whitehead, Allen H., Jr.↗

Ribbed Swimsuit

Langley Research Center's turbulent-drag reduction technology, as applied to airplanes and the winning yacht in America's Cup, finds another application: swimwear. The Strush SR swimsuit features silicon ribbing or "riblets" at the chest and buttocks, reducing friction in the water. Combined with innovations by its manufacturer, Arena North America, the company says the technology makes the suit 10 to 15 percent faster than any other world class swimsuit. The publicity for the Strush SR is handled by Suter Communications, Inc. *Company no longer exists (12/5/96).

Source record↗

Cooling History of Almahata Sitta Ureilite as Inferred from Transmission Electron Microscopy of Iron Metal

Almahata Sitta (AS) is a polymict breccia mainly composed of various ureilite lithologies with lesser chondritic lithologies [1]. In the ureilite lithologies, Fe metal is a common accessory phase present either as large grain boundary grains or small particles formed by reduction of olivine and pyroxene. In our earlier studies on grain boundary metals in one of AS fragments (#44) we found unique features never seen in other ureilites [2,3]. In order to further characterize these metal grains, we performed a detailed TEM study on a FIB section prepared from one of AS #44 grain boundary metals and here discuss its thermal history.

Mikouchi, T.↗

Slat Noise Control Using a Slat Gap Filler

The leading edge slat of a high-lift system is one of the main noise contributors on many commercial aircraft during approach. This paper continues our previous studies on the gap filler for passive noise control on the 30P30N high-lift airfoil. An improved implementation of the gap filler was applied to minimize the effects of flow leakage encountered in the previous work, which resulted in spurious noise content in the far-field acoustic spectra. To evaluate the effect of passive flow control on the acoustics generated by the unsteady flow field, anechoic wind tunnel experiments are conducted on the two-dimensional, three-element high-lift airfoil with a gap filler mounted to the slat. The slat geometry modification associated with the gap filler alters the flow field in the cove region that dominates the generation of the acoustic field. A single angle of attack (훼푘=8◦) and three flow speeds corresponding to Reynolds numbersof푅푒푐=1.2푒6,1.5푒6, and1.71푒6are selected as the test conditions. Steady surface pressure measurements are conducted to assess the effect of the treatments on the overall lift. Acoustic array measurements are used to evaluate the influence of the gap filler on the radiated noise. Delay and Sum beamforming is applied to locate the noise sources on the model and to provide the integrated spectra. The gap filler is found to eliminate the narrowband peaks in the acoustic spectra and, also, to yield a 10 dB reduction in the broadband noise in comparison with the baseline case. Time-resolved Particle Image Velocimetry results show that the flow features are significantly altered with the presence of the gap filler, which leads to a more stable slat cove shear layer and, thus, to weaker pressure and velocity fluctuations.

Yang Zhang↗

Evaluating Energy Absorption Methods for Integrated Composite Seat Designs

Composite materials have become ubiquitous in the aerospace industry due to their exceptionally light weight and high strength characteristics, as well as their unique ability to be engineered and tailored to meet specific loading conditions and performance requirements. These advanced materials offer superior strength-to-weight ratios compared to traditional metallic materials, making them particularly valuable in weight-critical aerospace applications where every pound saved translates to improved efficiency and performance. In currently operating fleets of commercial and military aircraft, composite materials have been successfully applied to critical structural components, including primary load-bearing elements such as the fuselage sections and flooring structures, which must withstand significant in-flight loads and provide passenger safety. Additionally, these materials have been specifically tailored and optimized for aerodynamic components such as wings and tail assemblies, where their ability to be molded into complex shapes while maintaining structural integrity is particularly advantageous. The application of composite materials extends beyond primary structural elements into the realm of internal cabin components, most notably in innovative seat designs where weight reduction and structural integration are paramount concerns. Modern composite seat structures can be designed to integrate multiple functions, including structural support, comfort features, and safety systems, all while maintaining the lightweight characteristics essential for aircraft performance.

Digital image correlation↗

NUMERICAL MODELING OF A SOLID OXIDE FUEL CELL FOR USE IN REAL-TIME SIMULATION AND CYBER-PHYSICAL SYSTEMS

Cyber-physical systems provide a mechanism with which to investigate the physical phenomena and behavior of traditionally cost-prohibitive or otherwise fragile equipment. For the National Energy Technology Laboratory (NETL), this approach resulted in the Hybrid Performance (Hyper) facility which features a gas turbine-SOFC hybrid cycle utilizing real turbomachinery and a simulated SOFC stack. This allows for the investigation of combined cycle performance and control strategies, in an exhaustive manner, both without fear of destroying delicate state-of-the-art fuel cells, and with the full accuracy of real-world turbomachinery. Issues arose between the transient response of the SOFC model being limited to a sample time of 80 milliseconds, due to the calculation time of the SOFC model taking on average 40 milliseconds to calculate for a given timestep with spikes in calculation time reaching the 80 millisecond threshold. In order to be able to match the speed of transients from the turbomachinery and likewise better discern transient behavior, it was determined that the SOFC model must be optimized to operate at a sample time of 5 milliseconds. Therefore, it is necessary to optimize the SOFC model in order to decrease the calculation time from around 40 milliseconds, down to at the most 5 milliseconds. To do this, both the electrochemical algorithm and the thermal algorithm used to simulate the physical behavior of the SOFC are investigated to determine where improvements can be made. To this end the rootfinding numerical recipes of the electrochemical algorithm are investigated as the complex electrochemistry requires a highly iterative nested dual convergence loop to resolve the voltage-current relationship, and likewise the temporal discretization of the thermal algorithm is modified for the sake of higher accuracy and stability. Ultimately the new electrochemical algorithm featuring higher order rootfinding schemes proves to be efficient enough to reach the sub 5 millisecond target, signifying an order of magnitude reduction in calculation time, and when coupled with the new temporal discretization similar calculation time characteristics show that a fully implicit, higher order temporal discretization can also successfully be used if desired. Ultimately this result means that the cyber-physical simulation system can operate at higher sample rates, and resolve transient events at significantly higher resolution and fidelity.

Arias, Jesus↗

Recovering Native-Like Lignin from Poplar Biomass Using Flow-Through Solvolysis

Lignin valorization, frequently involving a depolymerization step, is necessary for economic production of lignocellulosic biofuels. However, isolation of lignin frequently degrades the structure such that depolymerization yields from the isolated lignin are decreased relative to the "native" lignin present in the plant. In this work we show that by using flow-through extraction with methanol at 225 degrees C, combined with rapid quenching, we can isolate a "native-like" lignin that produces monomer yields comparable the lignin in the parent biomass under reductive catalytic fractionation (RCF) conditions. This isolated, native-like lignin is shelf-stable at room temperature on a time scale of months, and can be concentrated to a lignin oil and reconstituted in methanol without losing activity. These features will facilitate the study of intrinsic lignin properties and steady-state depolymerization processes.

BIOMASS FUELS↗

Intensified Co-electrolysis Process for Syngas Production from Captured CO 2

CO 2 reduction to syngas provides a way of ameliorating carbon footprint and storing energy in high-energy-density and versatile feedstock. This current work explores the isothermal integration of CO2 capture with an intensified unit operation for the reduction of CO2 and capture media regeneration. Intensified captured CO2 co-electrolysis (ICC) to syngas (H2:CO ratio of 2) with low CO2 content (<10%) was demonstrated with over 70% CO2 conversion at a current density up to 0.20 A/cm2 for 14 hours of operation. Integration of the co-electrolysis unit with CO2 capture was performed feeding pure and diluted CO2, for which CO2 conversions >65% were observed. Performance of the capture unit becomes critical to maintain syngas ratios (SR). Technology feasibility was assessed through comparative techno-economic and life cycle analysis showing that process intensification enables competitive performance, even at the higher energy consumption featured at the current state of the technology. This because several unit operations can be avoided. LCA also showed that based on the current US electricity mix the reduction of life cycle CO2 emissions is possible at scenarios observed with 0.15 A/cm2 to accomplish a carbon-negative technology.

08 HYDROGEN↗

NASA's J-2X Engine Builds on the Apollo Program for Lunar Return Missions

In January 2006, NASA streamlined its U.S. Vision for Space Exploration hardware development approach for replacing the Space Shuttle after it is retired in 2010. The revised CLV upper stage will use the J-2X engine, a derivative of NASA s Apollo Program Saturn V s S-II and S-IVB main propulsion, which will also serve as the Earth Departure Stage (EDS) engine. This paper gives details of how the J- 2X engine effort mitigates risk by building on the Apollo Program and other lessons learned to deliver a human-rated engine that is on an aggressive development schedule, with first demonstration flight in 2010 and human test flights in 2012. It is well documented that propulsion is historically a high-risk area. NASA s risk reduction strategy for the J-2X engine design, development, test, and evaluation is to build upon heritage hardware and apply valuable experience gained from past development efforts. In addition, NASA and its industry partner, Rocketdyne, which originally built the J-2, have tapped into their extensive databases and are applying lessons conveyed firsthand by Apollo-era veterans of America s first round of Moon missions in the 1960s and 1970s. NASA s development approach for the J-2X engine includes early requirements definition and management; designing-in lessons learned from the 5-2 heritage programs; initiating long-lead procurement items before Preliminary Desi& Review; incorporating design features for anticipated EDS requirements; identifying facilities for sea-level and altitude testing; and starting ground support equipment and logistics planning at an early stage. Other risk reduction strategies include utilizing a proven gas generator cycle with recent development experience; utilizing existing turbomachinery ; applying current and recent main combustion chamber (Integrated Powerhead Demonstrator) and channel wall nozzle (COBRA) advances; and performing rigorous development, qualification, and certification testing of the engine system, with a philosophy of "test what you fly, and fly what you test". These and other active risk management strategies are in place to deliver the J-2X engine for LEO and lunar return missions as outlined in the U.S. Vision for Space Exploration.

Snoddy, Jimmy R.↗

Astrometric Reduction of Phoebe Using a Digital Shape Model

The Cassini Imaging Science Subsystem (ISS) has provided the most spectacular images of the Saturnian system [1] and these observations constitute a fundamental dataset of high accuracy and exceptionally long-time span for the purpose of astrometry [2]. Several elaborate astrometric efforts using Cassini ISS data have demonstrated their use for the development and maintenance of the Saturnian satellite ephemerides and have been critical in improving our understanding of their secular orbital evolution and interior properties[3].Astrometric efforts using images with well-resolved bodies often employ limb-based methods for center finding; this is proven to be robust for satellites with a uniform ellipsoidal shape. However, systematic biases are of concern for bodies that deviate considerably from tri-axial ellipsoids(e.g., moons with irregular shapes and/or extensive features such as craters, ridges, slumps and grooves). To help understand such biases, we used the Goddard Image Analysis and Navigation Tool (GIANT) [4,5]to improve the astrometric reduction of these moons. Here we apply the method to Phoebe (Saturn IX).

V Viswanathan↗