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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 1,063 records · Page 59

Experimental Validation of the Horikx Theory to be Used in the Rubber Devulcanization Analysis

The waste rubber and end-of-life tires management has become a serious environmental problem. It is well known that the best way to carry out the disposal of these wastes is through recycling by devulcanization. Therefore, in the last decades, many methods have been developed to perform this treatment. Nevertheless, the degree and quality of the achieved devulcanization is still difficult to evaluate. The Horikx theory is an approach often used for this purpose. Hence, in this work, the validity of this theory was experimentally checked. The theoretical curve that represents crosslink scission was experimentally built for sulfur-cured natural rubber, sulfur-cured natural rubber reinforced with carbon black, sulfur-cured ethylene propylene diene monomer rubber and peroxide-cured ethylene propylene diene monomer rubber. Several samples with vulcanization (or devulcanization) degree ranging from 0 to 100% were processed, and the corresponding soluble fractions and crosslink densities were measured by the swelling test. The experimental results were in good agreement with the theoretical predictions, independently of the studied material, fact that confirms the validity of the Horikx approach. This finding will contribute to improve the waste rubber devulcanization, and therefore to progress in the environmental protection.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Thermomechanical Real-Time Hybrid Simulation: Conceptual Framework and Control Requirements

Real-time hybrid simulation (RTHS) is an enabling technology that has transformed engineering experimentation and helped researchers expand modeling capabilities. However, breakthroughs are necessary to expand the range of hybrid simulation methods and, thus, enable experiments with loading conditions representing multiple hazards. This paper discusses the development of a new thermomechanical RTHS framework and a systematic approach to determining RTHS control requirements. First, the framework is established using a representative finite element model of a layered structural system subjected to thermal loading. A complete two-layer system model serves as the reference system, and it is then partitioned into a numerical layer and an experimental layer that share interface conditions. Next, a thermal actuator is introduced to impose dynamic thermal loading on the experimental subsystem, serving as a transfer system. Finally, control and performance metrics are defined to evaluate the realization of interface boundary conditions and map this to the RTHS execution. Through an illustrative example considering the influence of temperature on a lunar habitat, we demonstrate how to establish controller requirements for RTHS and demonstrate that this approach can be used to conduct RTHS on structures with thermomechanical loading.

Herta Montoya↗

Development of a Terrain Mapping/Crater Evolution Measurement using Diffractive Optical Elements

When landing on the moon, understanding the interaction of the engine exhaust plume with the lunar surface is critical for the success of the descent and landing flight phases. Two evaluation tools currently used are computational simulations and ground test measurements. Computational simulations require experimental measurements for comparison/validation, but ground test measurements cannot accurately emulate all aspects of an actual lunar landing; flight tests remain the only method of obtaining fully representative data. A terrain mapping/crater evolution measurement system was developed for potential inclusion on a future lander mission. This system uses two stereo cameras viewing a laser dot grid pattern projected on the ground, where the grid is created by shining a laser through one or two diffractive optical elements. CAD simulations of the stereo imaging system are first used to validate the proposed design. Laboratory testing of the system using both a large-scale fixed-geometry crater and a small-scale evolving-geometry crater validate the use of the system for terrain mapping measurements, and for its potential inclusion on a future lander mission.

Joshua M Weisberger↗

Development of a Terrain Mapping/Crater Evolution Measurement using Diffractive Optical Elements

When landing on the moon, understanding the interaction of the engine exhaust plume with the lunar surface is critical for the success of the descent and landing flight phases. Two evaluation tools currently used are computational simulations and ground test measurements. Computational simulations require experimental measurements for comparison/validation, but ground test measurements cannot accurately emulate all aspects of an actual lunar landing; flight tests remain the only method of obtaining fully representative data. A terrain mapping/crater evolution measurement system was developed for potential inclusion on a future lander mission. This system uses two stereo cameras viewing a laser dot grid pattern projected on the ground, where the grid is created by shining a laser through one or two diffractive optical elements. CAD simulations of the stereo imaging system are first used to validate the proposed design. Laboratory testing of the system using both a large-scale fixed-geometry crater and a small-scale evolving-geometry crater validate the use of the system for terrain mapping measurements. High-speed, front-illumination shadow particle tracking of particles ejected from the evolving geometry crater is also performed, demonstrating another diagnostic that can be used to further the understanding of plume-surface interactions.

Joshua M Weisberger↗

Deconvoluting experimental decay energy spectra: The O 26 case

In nuclear reaction experiments, the measured decay energy spectra can give insights into the shell structure of decaying systems. However, extracting the underlying physics from the measurements is challenging due to detector resolution and acceptance effects. The Richardson-Lucy (RL) algorithm, a deblurring method that is commonly used in optics and has proven to be a successful technique for restoring images, was applied to our experimental nuclear physics data. The only inputs to the method are the observed energy spectrum and the detector's response matrix also known as the transfer matrix. We demonstrate that the technique can help access information about the shell structure of particle-unbound systems from the measured decay energy spectrum that is not immediately accessible via traditional approaches such as χ-square fitting. For a similar purpose, we developed a machine learning model that uses a deep neural network (DNN) classifier to identify resonance states from the measured decay energy spectrum. We tested the performance of both methods on simulated data and experimental measurements. Then, we applied both algorithms to the decay energy spectrum of 26 O → 24 O + n + n measured via invariant mass spectroscopy. Here, the resonance states restored using the RL algorithm to deblur the measured decay energy spectrum agree with those found by the DNN classifier. Both deblurring and DNN approaches suggest that the raw decay energy spectrum of 26 O exhibits three peaks at approximately 0.15 MeV, 1.50 MeV, and 5.00 MeV, with half-widths of 0.29 MeV, 0.80 MeV, and 1.85 MeV, respectively.

Spectrometers & spectroscopic techniques↗

Recent advances and applications of deep learning methods in materials science

Deep learning (DL) is one of the fastest-growing topics in materials data science, with rapidly emerging applications spanning atomistic, image-based, spectral, and textual data modalities. DL allows analysis of unstructured data and automated identification of features. The recent development of large materials databases has fueled the application of DL methods in atomistic prediction in particular. In contrast, advances in image and spectral data have largely leveraged synthetic data enabled by high-quality forward models as well as by generative unsupervised DL methods. In this article, we present a high-level overview of deep learning methods followed by a detailed discussion of recent developments of deep learning in atomistic simulation, materials imaging, spectral analysis, and natural language processing. For each modality we discuss applications involving both theoretical and experimental data, typical modeling approaches with their strengths and limitations, and relevant publicly available software and datasets. We conclude the review with a discussion of recent cross-cutting work related to uncertainty quantification in this field and a brief perspective on limitations, challenges, and potential growth areas for DL methods in materials science.

36 MATERIALS SCIENCE↗

Coupled Experimental and High-Temperature Discrete-Element Method Modeling Studies of Aluminosilicate Particle Handling in Concentrated Solar Power Environments

Chemically inert, aluminosilicate based particles have been investigated as both a thermal transport and sensible energy storage medium for concentrated solar power facilities. These particles will experience a wide range of operating temperatures (300-1000 K) and handling conditions (dense to dilute falling particle curtains, dense granular flows, or dense structures), requiring specially-designed and optimized infrastructures. The relative influence of collisional and frictional interactions between particles varies based on temperature-dependent particulate properties and greatly impacts the bulk, granular flow behavior. These underlying physics are captured using discrete element method modeling tools. However, this modeling method is computationally expensive as each particle position and interaction is tracked during the simulation. These modeling methods are further complicated by introducing temperature-dependent particle properties, high-temperature radiative exchange, and directional irradiation sources experienced by granular flows in concentrated solar power environments. Coupled experimental and numerical studies of aluminosilicate particles in rotary kilns and dense particle curtains were performed for bulk temperatures up to 1073 K. The three particle types investigated included Carbobead HSP 30 /60, Carbobead CP 30/60, and Granusil 4030. Temperature, spatial, and velocity profile data were extracted from experimental runs using embedded K-type thermocouple probes and particle image velocimetry techniques. Experimental and numerical studies were compared using spatial temperature profiles, velocity fields, and shape profiles of the bulk, granular flows. Numerical models were developed using commercially available discrete element method modeling software, Aspherix®. Existing Aspherix® functionality was expanded by introducing coupled radiative exchange modeling tools. The laboratory-scale rotary kiln was developed to investigate the steady-state heat and mass transfer performance of aluminosilicate particles based on particle type, bulk handling temperature, and wall roughness. The rotational speed of the rotary kiln was varied to control the relative impact of collisional and frictional effects upon the granular flow behavior. Heat and mass transfer performance was categorized based on the Froude number and the observed flow regimes of slipping, rolling, cascading, and centrifuging. Coupled discrete element method modeling studies were used to evaluate the effects of temperature-dependent, particulate mechanical properties upon bulk flow behavior and upon the relative effects of radiative, advective, and/or conductive heat transfer. A high-temperature (< 1073 K) falling particle curtain was similarly fabricated to investigate the heat and mass transfer performance of aluminosilicate particles in particle handling situations dominated by inter-particle collisions. The impact of particle type, flow preheat temperatures (< 1073K), and bulk mass flow rates were investigated upon the particle curtain shape, temperature, and velocity profiles. Coupled discrete element method modeling studies were performed to evaluate the varying impact of temperature-dependent, particulate mechanical properties on the bulk flow behavior and the temperature profile of the particle curtain.

14 SOLAR ENERGY↗

A Touchpad-Based Method for Inducing Attentional Tunneling

Attentional tunneling is a recognized problem for aviation safety in the flight deck. A prototype system (touchpad and associated application and experimental software) was developed and evaluated for its success in inducing attentional tunneling in a reliable and predictable manner in training and experimental contexts. Two experiments involving a total of sixteen participants examined baseline performance for visual memory of a color or number sequence, simultaneous with performing a competing auditory detection task. Spatial auditory separation of the auditory stimuli was also evaluated. Data are provided for various aspects of touchpad entry (accuracy, speed) as well as hit and false alarm rates for the auditory task. The results will help determine means of inducing attentional tunneling in more complex flight simulator experiments, and for developing an inexpensive prototype for pilots to measure cognitive fixation and develop mitigation strategies.

aviation safety↗

Image processing methods for Rayleigh scattering measurements of diesel spray mixing at high repetition rate

This work describes the diagnostic implementation and image processing methods to quantitatively measure diesel spray mixing injected into a high-pressure, high-temperature environment. We used a high-repetition-rate pulse-burst laser developed in-house, a high-speed CMOS camera, and optimized the optical configuration to capture Rayleigh scattering images of the vaporized fuel jets inside a constant volume chamber. The experimental installation was modified to reduce reflections and flare levels to maximize the images’ signal-to-noise ratios by anti-reflection coatings on windows and surfaces, as well as series of optical baffles. Because of the specificities of the high-speed system, several image processing techniques had to be developed and implemented to provide quantitative fuel concentration measurements. We find that these methods involve various correction procedures such as camera linearity, laser intensity fluctuation, dynamic background flare, as well as beam-steering effects. Image inpainting was also applied to correct the Rayleigh scattering signal from large scatterers (e.g. particulates). The experiments demonstrate that applying planar laser Rayleigh scattering at high repetition rate to quantitatively resolve the mixing of fuel and ambient gases in diesel jets is challenging, but possible. The thorough analysis of the experimental uncertainty and comparisons to past data prove that such measurements can be accurate, whilst providing valuable information about the mixing processes of high-pressure diesel jets.

47 OTHER INSTRUMENTATION↗

TAS: A Transonic Aircraft/Store flow field prediction code

A numerical procedure has been developed that has the capability to predict the transonic flow field around an aircraft with an arbitrarily located, separated store. The TAS code, the product of a joint General Dynamics/NASA ARC/AFWAL research and development program, will serve as the basis for a comprehensive predictive method for aircraft with arbitrary store loadings. This report described the numerical procedures employed to simulate the flow field around a configuration of this type. The validity of TAS code predictions is established by comparison with existing experimental data. In addition, future areas of development of the code are outlined. A brief description of code utilization is also given in the Appendix. The aircraft/store configuration is simulated using a mesh embedding approach. The computational domain is discretized by three meshes: (1) a planform-oriented wing/body fine mesh, (2) a cylindrical store mesh, and (3) a global Cartesian crude mesh. This embedded mesh scheme enables simulation of stores with fins of arbitrary angular orientation.

Thompson, D. S.↗

In-Situ Measurement of Power Loss for Crystalline Silicon Modules Undergoing Thermal Cycling and Mechanical Loading Stress Testing

An in-situ method is proposed for monitoring and estimating the power degradation of mc-Si photovoltaic (PV) modules undergoing thermo-mechanical degradation tests that primarily manifest through cell cracking, such as mechanical load tests, thermal cycling and humidity freeze tests. The method is based on in-situ measurement of the module’s dark current-voltage (I-V) characteristic curve during the stress test, as well as initial and final module flash testing on a Sun simulator. The method uses superposition of the dark I-V curve with final flash test module short-circuit current to account for shunt and junction recombination losses, as well as series resistance estimation from the in-situ measured dark I-Vs and final flash test measurements. The method is developed based on mc-Si standard modules undergoing several stages of thermo-mechanical stress testing and degradation, for which we investigate the impact of the degradation on the modules light I-V curve parameters, and equivalent solar cell model parameters. Experimental validation of the method on the modules tested shows good agreement between the in-situ estimated power degradation and the flash test measured power loss of the modules, of up to 4.31 % error (RMSE), as the modules experience primarily junction defect recombination and increased series resistance losses. However, the application of the method will be limited for modules experiencing extensive photo-current degradation or delamination, which are not well reflected in the dark I-V characteristic of the PV module.

14 SOLAR ENERGY↗

Describing Point Defect Topology in 2D Energy Materials Through Computer Vision

Point defects such as vacancies and impurity atoms strongly impact the performance of 2D materials. Traditional efforts often rely on manual detection, a process that is time-intensive, prone to human error, and challenging to scale. Here we leverage machine learning (ML) methods to identify and quantify vacancies within 2D transition metal carbides (Ti3C2, MXenes), aiming to expedite detection while improving accuracy. MXenes exhibit valuable defect-defined electrochemical properties, but we currently lack statistical understanding of defect topology needed to fully harness these materials. Here we employ a convolutional neural network for semantic segmentation of experimental MXene images, opening an opportunity to conduct a rigorous statistical study on defect hierarchy while investigating local relaxation in the lattice. We show how the integration of ML can yield fundamental insight into point defects, providing a powerful tool that will play an increasingly crucial role in the future of materials science. ML is often not just a matter of straightforward application, and pretrained models proved ineffective in this case. Instead, we trained our own neural network (NN) and applied data augmentation techniques and fine-tuning to the training dataset. Since labeled microscopy data is often scarce, we developed training data from a previously published wide-frame MXene image, using customized Gaussian fitting to locate atomic positions. Our trained model was then applied to a large dataset of experimental images, enabling a statistical study of defect configurations across three samples prepared with different HF etchant concentrations (5%, 9.1%, and 12.5%), as shown in Fig. 1. This also allowed us to investigate local strain around vacancies, though we find that we are limited by the precision of measurements using high-angle annular dark field (HAADF) images, as shown in Fig. 2. This study demonstrates how ML enables large-scale, quantitative analysis of atomic defects - an otherwise infeasible task with traditional methods. While our NN was specialized for Ti3C2 MXenes, the pipeline we developed provides a foundation for future ML models tailored to other materials. Ultimately, we envision embedding the NN onto the microscope to give real-time feedback to the user. To make this a reality, continued work is necessary to fully understand the NN's capabilities and limitations. This study gets one step closer to our goals of automated experimentation moving away from traditional methods of manual labeling. As ML capabilities advance, we hope to continue adapting and applying these techniques in microscopy.

2D materials↗

Inlets, ducts, and nozzles

The internal fluid mechanics research program in inlets, ducts, and nozzles consists of a balanced effort between the development of computational tools (both parabolized Navier-Stokes and full Navier-Stokes) and the conduct of experimental research. The experiments are designed to better understand the fluid flow physics, to develop new or improved flow models, and to provide benchmark quality data sets for validation of the computational methods. The inlet, duct, and nozzle research program is described according to three major classifications of flow phenomena: (1) highly 3-D flow fields; (2) shock-boundary-layer interactions; and (3) shear layer control. Specific examples of current and future elements of the research program are described for each of these phenomenon. In particular, the highly 3-D flow field phenomenon is highlighted by describing the computational and experimental research program in transition ducts having a round-to-rectangular area variation. In the case of shock-boundary-layer interactions, the specific details of research for normal shock-boundary-layer interactions are described. For shear layer control, research in vortex generators and the use of aerodynamic excitation for enhancement of the jet mixing process are described.

Abbott, John M.↗

Basic Energy Sciences Roundtable: Foundational Science to Accelerate Nuclear Energy Innovation

Energy security, availability, and reliability are among the greatest challenges facing the nation and the planet. An abundant potential source of energy resides in the fundamental atomic building blocks of the universe in the form of nuclear fission and fusion reactions. In fact, energy from nuclear fission currently provides the majority of the world’s zero-carbon electricity, and future fusion energy systems offer great promise; carbon-free nuclear energy technologies can be key to the world’s decarbonized energy future. Although contemporary fission systems use well-established technologies to supply safe and efficient baseload power, they could be more fuel efficient and less costly. Moving beyond massive light-water fission reactors to a variety of advanced nuclear systems—which will vary in size and operate in extremes of temperature, corrosivity, and other parameters—will place stringent conditions on materials and chemical systems. New demands will be placed on the coolants and solvents, the materials, and the monitoring tools used in these reactors. Fusion-based nuclear energy will require superior materials to withstand extremely high temperatures, plasma exposure, radiation damage, and implanted gases. The advantages associated with these new fission and fusion technologies will be realized only through continued advancements in the fundamental science underpinning our knowledge of the physics and chemistry of nuclear systems gained via improved experimental and computational methods. In July 2022, the U.S. Department of Energy’s Office of Basic Energy Sciences—in coordination with the Offices of Nuclear Energy, Fusion Energy Sciences, and Advanced Scientific Computing Research—held a virtual roundtable titled “Foundational Science to Accelerate Nuclear Energy Innovation” to discuss the scientific and technical barriers for advanced nuclear energy systems. Five priority research opportunities were identified to address these scientific and technical challenges and to accelerate progress toward the realization of next-generation fusion and fission energy systems. The foundational science gaps inhibiting the advancement of nuclear energy technologies are identified and tackled in five priority research opportunities. These opportunities pave the way to accelerate the development and ultimately the adoption of new nuclear energy systems. They include the fundamental aspects of ion-electron interactions; novel properties of next-generation coolants and solvents; interfacial dynamics, not only in solids, but in other aspects of nuclear reactors; novel operando and in situ monitoring and sensing; and artificial intelligence to accelerate condensed phases discovery. Building on the foundation established by previous Basic Energy Sciences workshops, these opportunities encompass recent advances in fundamental knowledge and focus on the experimental and computational methods needed to resolve major technical challenges for nuclear energy technologies. Through developing fundamental scientific insight as well as pushing the frontiers of modeling complex systems and probing the operation of materials and chemical systems in extreme environments, research motivated by the priorities identified here will further develop the promise, potential, and utilization of nuclear energy for a clean energy future.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Ionospheric gravity wave measurements with the USU dynasonde

A method for the measurement of ionospheric Gravity Wave (GW) using the USU Dynasonde is outlined. This method consists of a series of individual procedures, which includes functions for data acquisition, adaptive scaling, polarization discrimination, interpolation and extrapolation, digital filtering, windowing, spectrum analysis, GW detection, and graphics display. Concepts of system theory are applied to treat the ionosphere as a system. An adaptive ionogram scaling method was developed for automatically extracting ionogram echo traces from noisy raw sounding data. The method uses the well known Least Mean Square (LMS) algorithm to form a stochastic optimal estimate of the echo trace which is then used to control a moving window. The window tracks the echo trace, simultaneously eliminating the noise and interference. Experimental results show that the proposed method functions as designed. Case studies which extract GW from ionosonde measurements were carried out using the techniques described. Geophysically significant events were detected and the resultant processed results are illustrated graphically. This method was also developed for real time implementation in mind.

Berkey, Frank T.↗

Computational Methods in Heterogeneous Catalysis

The unprecedented ability of computations to probe atomic-level details of catalytic systems holds immense promise for the fundamentals-based bottom-up design of novel heterogeneous catalysts, which are at the heart of the chemical and energy sectors of industry. Here, we critically analyze recent advances in computational heterogeneous catalysis. First, we will survey the progress in electronic structure methods and atomistic catalyst models employed, which have enabled the catalysis community to build increasingly intricate, realistic, and accurate models of the active sites of supported transition-metal catalysts. We then review developments in microkinetic modeling, specifically mean-field microkinetic models and kinetic Monte Carlo simulations, which bridge the gap between nanoscale computational insights and macroscale experimental kinetics data with increasing fidelity. Here, we finally review the advancements in theoretical methods for accelerating catalyst design and discovery. Throughout the review, we provide ample examples of applications, discuss remaining challenges, and provide our outlook for the near future.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Experimental Investigations to Study the Effects of Microwave Treatment Strategy on Tool Performance in Turning Operation

In the present study, microwave treatment has been used to enhance the tribological properties of single-point tungsten carbide (WC) cutting tool inserts such as wear resistance and hardness. The tool hardness and cutting parameters were considered to evaluate the performance of microwave-treated WC inserts in turning operation. The optimum cutting parameters were identified using response surface method (RSM)-based desirability approach. The relationship between cutting parameters and output responses, viz. flank wear, cutting force and surface roughness, was developed using the RSM. The investigations revealed that the increase in tool hardness due to complex carbide formation results in a significant reduction in tool wear, cutting forces and improvement in the surface finish of workpiece. Further, the statistical models results were validated with the experimental results. Metallurgical properties of treated and untreated tool inserts were analyzed using scanning electron microscope, x-ray diffraction method and Vickers microhardness tests. The results highlighted the importance of microwave treatment in enhancing the machining performance in turning operation.

36 MATERIALS SCIENCE↗

Design and Preparation of a Particle Dynamics Space Flight Experiment, SHIVA

ABSTRACT This paper describes the flight experiment, supporting ground science, and the design rationale for project SHIVA (Spaceflight Holography Investigation in a Virtual Apparatus). SHIVA is a fundamental study of particle dynamics in fluids in microgravity. Gravity often dominates the equations of motion of a particle in a fluid, so microgravity provides an ideal environment to study the other forces, such as the pressure and viscous drag and especially the Basset history force. We have developed diagnostic recording methods using holography to save all of the particle field optical characteristics, essentially allowing the experiment to be transferred from space back to earth in what we call the "virtual apparatus" for on-earth microgravity experimentation. We can quantify precisely the three-dimensional motion of sets of particles, allowing us to test and apply new analytical solutions developed by members of the team as reported in the 2001 Conference (Banff, Canada). In addition to employing microgravity to augment the fundamental study of these forces, the resulting data will allow us to quantify and understand the ISS environment with great accuracy. This paper shows how we used both experiment and theory to identify and resolve critical issues and produce an optimal the study. We examined the response of particles of specific gravity from 0.1 to 20, with radii from 0.2 to 2mm. to fluid oscillation at frequencies up to 80 Hz with amplitudes up to 200 microns. To observe some of the interesting effects predicted by the new solutions requires the precise location of the position of a particle in three dimensions. To this end we have developed digital holography algorithms that enable particle position location to a small fraction of a pixel in a CCD array. The spaceflight system will record holograms both on film and electronically. The electronic holograms can be downlinked providing real time data, essentially acting like a remote window into the ISS experimental chamber. Ground experiments have provided input to a flight system design that can meet the requirements for a successful experiment on ISS. Moreover the ground experiments have provided a definitive, quantitative observation of the Basset History force over a wide range of conditions. Results of the ground experiments, the flight experiment design, preliminary flight hardware design, and data analysis procedures are reported.

Trolinger, James↗