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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Resilient Observer Design for Cyber-Physical Systems with Data-Driven Measurement Pruning

Resilient observer design for Cyber-Physical Systems (CPS) in the presence of adversarial false data injection attacks (FDIA) is an active area of research. The existing state-of-the-art algorithms tend to break down as more and more knowledge of the system is built into the attack model; also as the percentage of attacked nodes increases. From the view of optimization theory, the problem is often cast as a classical error correction problem for which a theoretical limit of has been established as the maximum percentage attacked nodes for which state recovery is guaranteed. Beyond this limit, the performance of -minimization based schemes, for instance, deteriorates rapidly. Similar performance degradation occurs for other types of resilient observers beyond certain percentages of attacked nodes. In order to increase the corresponding percentage of attacked nodes for which state recoveries can be guaranteed, researchers have begun to incorporate prior information into the underlying resilient observer design framework. For the most pragmatic cases, this prior information is often obtained through a data-driven machine learning process. Existing results have shown a strong positive correlation between the maximum attacked percentages that can be tolerated and the accuracy of the data-driven model. Motivated by these results, this chapter examines the case for pruning algorithms designed to improve the Positive Prediction Value (PPV) of the resulting prior information, given stochastic uncertainty characteristics of the underlying machine learning model. Theoretical quantification of the achievable improvement is given. Simulation results show that the pruning algorithm significantly increases the maximum correctable percentage of attacked nodes, even for machine learning model whose prediction power is comparable to the random flip of a coin.

Resilient Observer, Cyber-physical Systems, Data-D↗
DOE OSTI2022

Volumetric Rendering on Wavelet-Based Adaptive Grid

Numerical modeling of physical phenomena frequently involves processes across a wide range of spatial and temporal scales. In the last two decades, the advancements in wavelet-based numerical methodologies to solve partial differential equations, combined with the unique properties of wavelet analysis to resolve localized structures of the solution on dynamically adaptive computational meshes, make it feasible to perform large-scale numerical simulations of a variety of physical systems on a dynamically adaptive computational mesh that changes both in space and time. Volumetric visualization of the solution is an essential part of scientific computing, yet the existing volumetric visualization techniques do not take full advantage of multi-resolution wavelet analysis and are not fully tailored for visualization of a compressed solution on the wavelet-based adaptive computational mesh. Our objective is to explore the alternatives for the visualization of time-dependent data on space-time varying adaptive mesh using volume rendering while capitalizing on the available sparse data representation. Two alternative formulations are explored. The first one is based on volumetric ray casting of multi-scale datasets in wavelet space. Rather than working with the wavelets at the finest possible resolution, a partial inverse wavelet transform is performed as a preprocessing step to obtain scaling functions on a uniform grid at a user-prescribed resolution. As a result, a solution in physical space is represented by a superposition of scaling functions on a coarse regular grid and wavelets on an adaptive mesh. An efficient and accurate ray casting algorithm is based just on these coarse scaling functions. Additional details are added during the ray tracing by taking an appropriate number of wavelets into account based on support overlap with the interpolation point, wavelet coefficient magnitude, and other characteristics, such as opacity accumulation (front to back ordering) and deviation from frontal viewing direction. The second approach is based on complementing of wavelet-based adaptive mesh to the traditional Adaptive Mesh Refinement (AMR) mesh. Both algorithms are illustrated and compared to the existing volume visualization software for Rayleigh-Benard thermal convection and electron density data sets in terms of rendering time and visual quality for different data compression of both wavelet-based and AMR adaptive meshes.

Vezolainen, Alexei V.↗
DOE OSTI2015

Accelerated development of Zr-containing new generation ferritic steels for advanced nuclear reactors

The mission of the Nuclear Energy Enabling Technologies (NEET) program is to develop crosscutting technologies for nuclear energy applications. Advanced structural materials with superior performance at elevated temperatures are always desired for nuclear reactors, which can improve reactor economics, safety margins, and design flexibility. They benefit not only new reactors, including advanced light water reactors (LWRs) and fast reactors such as the sodium-cooled fast reactor (SFR) that is primarily designed for management of high-level wastes, but also life extension of the existing fleet when component exchange is needed. Developing and utilizing the modern materials science tools (experimental, theoretical, and computational tools) is an important path to more efficient alloy development and process optimization. The ultimate goal of this project is, with the aid of computational modeling tools, to accelerate the development of Zr-bearing ferritic alloys that can be fabricated using conventional steelmaking methods. The new alloys are expected to have superior high-temperature creep performance and excellent radiation resistance as compared to Grade 91. The designed alloys were fabricated using arc-melting and drop-casting, followed by hot rolling and conventional heat treatments. Comprehensive experimental studies have been conducted on the developed alloys to evaluate their hardness, tensile properties, creep resistance, Charpy impact toughness, and aging resistance, as well as resistance to proton and heavy ion (Fe 2+ ) irradiation.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Atomistic modeling of interface strengthening in Al-Si eutectic alloys

Al-Si cast alloys are usually composed of α-Al and Al-Si eutectic. Si flakes and Al matrix generally hold cube-on-cube orientation relationship with the primary interface (111) Al ∥(111) Si . Extensive experimental studies demonstrated that Si flakes cannot significantly improve mechanical properties of Al-Si cast alloys. We hypothesize that the weak strengthening effect associated with Si flakes might be attributed to thermomechanical properties of Al-Si interfaces besides their morphologies. To characterize Al-Si interfaces with a large lattice mismatch (> 30%), we proposed the quasi-coincident site lattice (Q-CSL) as reference lattice, and demonstrated that the Q-CSL Al-Si coherent interface has three characteristic coherent structures, one stable and low energy structure and two metastable and high energy structures. The translation vectors for the same type of coherent Q-CSL structures are consistent with three displacement shift complete (DSC) vectors. The two metastable structures can be obtained by shifting the low energy structure with three partial DSC vectors. Semi-coherent interface is composed of the low energy Q-CSL patches and three sets of interface misfit dislocations with Burgers vectors same as the DSC vectors. Atomistic simulations revealed that Al-Si interface exhibits low shear resistance. Ideal shear strength of the Q-CSL coherent interface is 110 MPa and semi-coherent interface is 20 MPa. The low shear resistance is attributed to the glide of interface misfit dislocations. Al-Si interface also exhibits low formation and migration energies of point defects. Owing to low shear strength and low formation and migration energies of point defects, interface sliding or shear readily happen under mechanical loading or during dislocation-interface interactions. Lattice dislocations can cross slip onto or climb along Al-Si interfaces. These reactions decrease the number of accumulated dislocation loops around Si flakes and promote nucleation and emission of lattice dislocations from Al-Si interfaces to matrix, consequently reduce the repulsive force on approaching dislocations and weaken Si flakes strengthening effect. In situ tension and compression tests in a scanning electron microscope reveal relatively weak strengthening effect due to Si flakes, consistent with the computed dislocation interaction with interfaces and shear behavior of interfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2020

PASSAT: particle accelerator helioScopes for Slim Axion-like-particle deTection

We propose a novel method to search for axion-like particles (ALPs) at particle accelerator experiments. ALPs produced at the target via the Primakoff effect subsequently enter a region with a magnetic field, where they are converted to photons that are then detected. Dubbed Particle Accelerator helioScopes for Slim Axion-like-particle deTection (PASSAT), our proposal uses the principle of the axion helioscope but replaces ALPs produced in the Sun with those produced in a target material. Since we rely on ALP-photon conversions , our proposal probes light (slim) ALPs that are otherwise inaccessible to laboratory-based experiments which rely on ALP decay, and complements astrophysical probes that are more model-dependent. As a first application, we reinterpret existing data from the NOMAD experiment in light of PASSAT, and constrain the parameter space for ALPs lighter than $$\sim 100~\mathrm{eV}$$ ~ 100 eV and ALP-photon coupling larger than $$\sim 10^{-4}~\mathrm{GeV}^{-1}$$ ~ 10 - 4 GeV - 1 . As benchmarks of feasible low-cost experiments improving over the NOMAD limits, we study the possibility of re-using the magnets of the CAST and the proposed BabyIAXO experiments and placing them at the proposed BDF facility at CERN, together with some new detectors. We find that these realizations of PASSAT allow for a direct probe of the parameter space for ALPs lighter than $$\sim 100~\mathrm{eV}$$ ~ 100 eV and ALP-photon coupling larger than $$\sim 4\times 10^{-6}~\mathrm{GeV}^{-1}$$ ~ 4 × 10 - 6 GeV - 1 , which are regions that have not been probed yet by experiments with laboratory-produced ALPs. In contrast to other proposals aiming at detecting single or two-photon only events in hadronic beam dump environments, that rely heavily on Monte Carlo simulations, the background in our proposal can be directly measured in-situ , its suppression optimized, and the irreducible background statistically subtracted. Sensitivity evaluations with other beams will be the subject of a future paper. The measurements suggested in this paper represent an additional physics case for the BDF at CERN beyond those already proposed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

On the implementation of dislocation reactions in continuum dislocation dynamics modeling of mesoscale plasticity

The continuum dislocation dynamics framework for mesoscale plasticity is intended to capture the dislocation density evolution and the deformation of crystals when subjected to mechanical loading. It does so by solving a set of transport equations for dislocations concurrently with crystal mechanics equations, with the latter being cast in the form of an eigenstrain problem. Incorporating dislocation reactions in the dislocation transport equations is essential for making such continuum dislocation dynamics predictive. A formulation is proposed to incorporate dislocation reactions in the transport equations of the vector density-based continuum dislocation dynamics. This formulation aims to rigorously enforce dislocation line continuity using the concept of virtual dislocations that close all dislocation loops involved in cross slip, annihilation, and glissile and sessile junction reactions. The addition of virtual dislocations enables us to accurately enforce the divergence free condition upon the numerical solution of the dislocation transport equations for all slip systems individually. A set of tests were performed to illustrate the accuracy of the formulation and the solution of the transport equations within the vector density-based continuum dislocation dynamics. Comparing the results from these tests with an earlier approach in which the divergence free constraint was enforced on the total dislocation density tensor or the sum of two densities when only cross slip is considered shows that the new approach yields highly accurate results. Bulk simulations were performed for a face centered cubic crystal based on the new formulation and the results were compared with discrete dislocation dynamics predictions of the same. The microstructural features obtained from continuum dislocation dynamics were also analyzed with reference to relevant experimental observations.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Characterization of a Cast Duplex Stainless Steel with 3.0%Cu and Modeling of Precipitation Hardening

Duplex stainless steels (DSSs) are corrosion-resistant alloys extensively used in aggressive environments. Cast DSSs may be selected for pipes, valves and pumps in chemical, petrochemical and nuclear industries. The grade steel ASTM A890 1B is an example of cast DSS with 2.7-3.3%Cu addition. Copper increases the resistance to many types of corrosion, especially in non-oxidizing environments. When the copper content is higher than 2%, the steel can be precipitation-hardened. In this work, the precipitation hardening of a DSS ASTM A890 1B steel with 3.0%Cu was studied and modeled for aging temperatures in the 450-600 °C range. Copper precipitates in the ferrite phase, but remains in solid solution in the austenite. The age hardening curves were modeled by ΔH = K(t){sup n} model, where ΔH is the increase in hardness, t is the aging time, and K and n are constants to be determined. The microstructure and substructure were investigated by scanning electron and transmission electron microscopes.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Micromechanical Surrogate Machine Learning Model for Creep Deformation Modeling

Process variability during the manufacture of gas turbine engine hot section components can significantly affect the material’s resulting microstructure. In casting, for instance, geometric variation within a component (thin sections versus thick sections, radial location) influences cooling rates and the resulting grain size. The high temperature creep response is known to be sensitive to grain size owing to a diffusional creep mechanism which occurs more readily along grain boundaries. Microstructural variation correspondingly drives mechanical behavior which propagates into component scale performance uncertainty. These factors are essential when planning inspection, maintenance, and repair strategies within a reliability framework. These benefits provide opportunities to increase overall energy efficiency through refined margins. Critically, there is an opportunity to bolster existing data-driven reliability models using physics-driven process-structure-property relations. Here we present recent work establishing a framework for evaluating the probabilistic creep performance of high-temperature materials. A novel microstructure-sensitive crystal plasticity finite element model is established that captures both grain boundary and crystallographic deformation effects. The computationally expensive physics model is calibrated using a statistical approach and this high-fidelity model is subsequently used to train a computationally efficient machine learning surrogate model. The surrogate model is essential for sampling a large ensemble of simulated structure-property pair results. The ensemble data are then mined to extract salient trends to be incorporated into a microstructure-sensitive reliability model. The proposed approach represents a novel way to capture microstructure-sensitive trends from physics-based models within a modern reliability framework.

Fernandez-Zelaia, Patxi [ORNL]↗
DOE OSTI2024

Atomic Diffusivities of Yttrium, Titanium and Oxygen Calculated by Ab Initio Molecular Dynamics in Molten 316L Oxide-Dispersion-Strengthened Steel Fabricated via Additive Manufacturing

Oxide-dispersion-strengthened (ODS) steels have long been viewed as a prime solution for harsh environments. However, conventional manufacturing of ODS steels limits the final product geometry, is difficult to scale up to large components, and is expensive due to multiple highly involved, solid-state processing steps required. Additive manufacturing (AM) can directly incorporate dispersion elements (e.g., Y, Ti and O) during component fabrication, thus bypassing the need for an ODS steel supply chain, the scale-up challenges of powder processing routes, the buoyancy challenges associated with casting ODS steels, and the joining issues for net-shape component fabrication. In the AM process, the diffusion of the dispersion elements in the molten steel plays a key role in the precipitation of the oxide particles, thereby influencing the microstructure, thermal stability and high-temperature mechanical properties of the resulting ODS steels. In this work, the atomic diffusivities of Y, Ti, and O in molten 316L stainless steel (SS) as functions of temperature are determined by ab initio molecular dynamics simulations. The latest Vienna Ab initio Simulation Package (VASP) package that incorporates an on-the-fly machine learning force field for accelerated computation is used. At a constant temperature, the time-dependent coordinates of the target atoms in the molten 316L SS were analyzed in the form of mean square displacement in order to obtain diffusivity. The values of the diffusivity at multiple temperatures are then fitted to the Arrhenius form to determine the activation energy and the pre-exponential factor. Given the challenges in experimental measurement of atomic diffusivity at such high temperatures and correspondingly the lack of experimental data, this study provides important physical parameters for future modeling of the oxide precipitation kinetics during AM process.

Chemistry↗
NASA NTRS2010

Comments on "Atlantic Tropical Cyclogenetic Processes during SOP-3 NAMMA in the GEOS-5 Global Data Assimilation and Forecast System"

Considerable attention has been given to the potential negative impacts of the Saharan air layer (SAL) in recent years. Researchers recently raised questions about the negative impacts of Dunion and Velden and other studies in terms of storms that reached at least tropical storm strength and suggested that the SAL was an intrinsic part of the tropical cyclone environment for both storms that weaken after formation and those that intensify. Braun also suggested that several incorrect assumptions underlie many of the studies on the negative impacts of the SAL, including assumptions that most low-to-midlevel dry tropical air is SAL air, that the SAL is dry throughout its depth, and that the proximity of the SAL to storms struggling to intensify implies some role in that struggle. The recent paper by Reale et al.(RL1) is an example of the problems inherent in some of these assumptions. In their paper, RL1 analyze a simulation from the Global Earth Observing System (GEOS-5) global model and describe an extensive tongue of warm, dry air that stretches southward from at least 30 deg N (the northern limit of their plots) and wraps into a low pressure system during the period 26-29 August 2006, suppressing convection and possibly development of the African easterly wave associated with that low pressure system. They attributed the warm, dry tongue to the SAL (i.e., heating of the air mass during passage over the Sahara and radiative warming of the dust layer). Whether it was their intention, the implication is that this entire feature is due solely to the SAL and not to other possible sources of dry air or warmth. In addition, they suggested that a cool tongue of air in the boundary layer located directly beneath the elevated warm, dry tongue (forming a thermal dipole) was possibly the result of reduced solar radiation caused by an overlying dust layer. They stated that "the cool anomaly in the lower levels does not have any plausible explanation relying only on transport." In this comment, evidence from satellite and global meteorological analyses is presented that casts considerable doubt upon RL1 s interpretation of the GEOS-5 forecasts and their conclusion that the results implied a negative role of the SAL. We show that the major portion of the warm, dry air aloft was located in a nearly dust-free slot between two Saharan dust outbreaks, had a significant source from the midlatitudes (>30 N), and was likely driven by strong subsidence warming and drying. In addition, when wind fields are examined in a reference frame moving with the wave, National Centers for Environmental Prediction (NCEP) global meteorological analyses suggest that the cool tongue in the boundary layer can be readily explained by transport of cooler air from higher latitudes. At the very least, it offers a plausible alternative explanation for the cool tongue that does not rely on radiative impacts of the dust.

Braun, Scott A.↗
NASA NTRS1996

Demonstration of a Real Time Capability to Produce Tidal Heights and Currents for Naval Operational Use: A Cast Study for the West Coast of Africa (Liberia)

This report documents an existing capability to produce operationally relevant products on sea level and currents from a tides/storm surge model for any coastal region around the world within 48 hours from the time of the request. The model is ready for transition to the Naval Oceanographic Office (NAVOCEANO) for potential contingency use anywhere around the world. A recent application to naval operations offshore Liberia illustrates this. Mississippi State University, in collaboration with the University of Colorado and NAVOCEANO, successfully deployed the Colorado University Rapidly Relocatable Nestable Tides and Storm Surge (CURReNTSS) model that predicts sea surface height, tidal currents and storm surge, and provided operational products on tidal sea level and currents in the littoral region off south-western coast of Africa. This report summarizes the results of this collaborative effort in an actual contingency use of the relocatable model, summarizes the lessons learned, and provides recommendations for further evaluation and transition of this modeling capability to operational use.

CASE STUDIES↗
NASA NTRS2002

Development of a New Membrane Casting Apparatus for Studying Macrovoid Defects in Low-G

A new membrane-casting apparatus is developed for studying macrovoid defects in polymeric membranes made by the wet- and dry-casting process in low-gravity. Macrovoids are large (10-50 micron), open cavities interspersed among the smaller pores in the substructure under the gelled skin surface layer of the cast membrane. Although their occurrence is considered endemic to the wet- and dry-casting process since they can lead to compaction or skin rupture in the membrane process, recent studies suggest several useful applications such as transdermal and osmotic drug delivery systems, miniature bioreactors, etc. However, lack of knowledge about the macrovoid formation mechanism is an obstacle to further development of applications using them. An on-going debate is the role of the surface-tension-driven solutocapillary convection during macrovoid formation. The rapid growth of macrovoids within 1-5 seconds and the high polymer concentration in and near macrovoids make it difficult to explain the mechanism of macrovoid growth by diffusion alone, which is the widely accepted hypothesis proposed by Reuvers et al. The hypothesis advanced by our research group can explain this rapid growth via a mechanism that involves diffusion from the casting solution in the meta-stable region to the macrovoid enhanced by solutocapillary convection induced by the steep nonsolvent concentration gradient in the vicinity of the macrovoid. Since macrovoid growth is hypothesized to be the interplay of a solutocapillary-induced driving force counteracted by viscous drag and buoyancy, eliminate the latter provides a means for testing this hypothesis. Moreover, free convection mass transfer in the nonsolvent immersion bath used to cause phase-separation in membrane casting complicates developing a model for both the wet-casting process and macrovoid growth. The low-g environment minimizes gravitationally induced free convection thereby permitting a tractable solution to the ternary diffusion equations that characterize membrane formation. NASA's Parabolic Flight Research Aircraft provides a small window of low-g (approximately 25 s) that can be used to study macrovoid development in both wet- and dry-cast membranes if an appropriate casting apparatus is used. This casting apparatus should be able to cast the membrane in both low- and high-g in a manner so that essential one-dimensional mass transfer conditions are achieved to insure lateral uniformity in the membrane. The apparatus used in previous research on membrane casting in low-gravity was operated with the plunger driven mechanism. The spring-loaded plunger pushes the bottom block containing the polymer casting solution well directly under the absorbent chamber located in the upper stationary block. However, membranes made via this casting apparatus often displayed lateral nonuniformities that precluded obtaining quantitative information on the macrovoid growth process. Thus, it was necessary to determine the reason for these structural irregularities observed in the low-g casting apparatus. Both experimental as well as computer simulation studies of the low-g casting apparatus established that the impulsive action of the plunger caused the undesired structural nonuniformities. The simulation results showed that the width-to-depth aspect ratio of the shallow well that contains the casting solution in this apparatus was not an important factor in minimizing this problem. Even for a 40:1 (width : depth) aspect ratio, any convection induced by the horizontal motion of the interface of the casting solution will be damped out within 6.25x10(exp 4) seconds. However, the experimental studies revealed that the impulsive motion of the plunger caused a 'sloshing' of the casting solution that had to be eliminated. Therefore, the plungerdriven mechanism was changed to a cam-driven mechanism that did not cause any impulsive motion of the casting solution. Other refinements to this new membrane-casting apparatus include provision for removing the membranes from the casting wells in a less destructive manner. This was accomplished by using a slit geometry for the casting well that permitted disassembly for removal of the cast membrane. The materials used in the construction of this casting apparatus were chosen to insure wetting at the side walls and to maintain precise control of the thickness of the polymer solution in the casting well. An additional provision in this new casting apparatus is the ability to carry out both wet- as well as dry-casting. As such, this apparatus permitted the first studies of the wet-casting of polymeric membranes in low-g. Both wet- and dry-casting experiments on NASA's KC-135 research aircraft employing this new membrane-casting apparatus are scheduled in July 2002. The morphology of the resulting membranes will be characterized using an environmental scanning electron microscope (ESEM). The results of these low-g studies will be reported later.

Lee, Hanyong↗
DOE OSTI2023

Mind the gap: the discrepancy between simulation and reality drives interpretations of the Galactic Center Excess

The Galactic Center Excess (GCE) in GeV gamma rays has been debated for over a decade, with the possibility that it might be due to dark matter annihilation or undetected point sources such as millisecond pulsars (MSPs). This study investigates how the gamma-ray emission model (γEM) used in Galactic center analyses affects the interpretation of the GCE's nature. To address this issue, we construct an ultra-fast and powerful inference pipeline based on convolutional Deep Ensemble Networks. We explore the two main competing hypotheses for the GCE using a set of γEMs with increasing parametric freedom. We calculate the fractional contribution (f src ) of a dim population of MSPs to the total luminosity of the GCE and analyze its dependence on the complexity of the γEM. For the simplest γEM, we obtain fsrc = 0.10 ± 0.07, while the most complex model yields f src = 0.79 ± 0.24. In conclusion, we find that the statement about the nature of the GCE (dark matter or not) strongly depends on the assumed γEM. The quoted results for f src do not account for the additional uncertainty arising from the fact that the observed gamma-ray sky is out-of-distribution concerning the investigated γEM iterations. We quantify the reality gap between our γEMs using deep-learning-based One-Class Deep Support Vector Data Description networks, revealing that all employed γEMs have gaps to reality. Finally, our study casts doubt on the validity of previous conclusions regarding the GCE and dark matter, and underscores the urgent need to account for the reality gap and consider previously overlooked "out of domain" uncertainties in future interpretations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Thick Electrode Design for Facile Electron and Ion Transport: Architectures, Advanced Characterization, and Modeling

The demand for lithium ion batteries continues to expand for powering applications such as portable electronics, grid-scale energy storage, and electric vehicles. As the application requirements advance, the innovation of lithium ion batteries toward higher energy density and power output is required. Along with the investigation of new materials, an important strategy for increasing battery energy content is to design electrodes with high areal loading to minimize the fraction of nonactive materials such as current collectors, separators, and packaging components, resulting in significant gains in energy content and the reduction of the system-level cost. However, the adoption of thick high areal loading electrodes has been impeded by sluggish charge transport and mechanical instability. With conventional slurry cast electrodes, battery function significantly deteriorates with increases in electrode thickness due to high cell polarization and the incomplete utilization of active materials. Thus, a consideration of approaches that facilitate an understanding and eventual adoption of high-loading electrodes is warranted to enable the deliberate advancement of next-generation batteries. Herein, this Account considers three aspects critical to the science and technology of thick high-loading electrodes. The first discussion covers recent approaches to the design and fabrication of high-loading electrodes. Ensuring electrical contact throughout the electrode is accomplished through the manipulation of conductive additives or using a conductive scaffold within the electrode. Ion transport can be facilitated through electrode design and fabrication approaches that deliberately control the electrode porosity and tortuosity. Second, advanced characterization methodologies are presented as the ability to determine the origins of transport limitations provide the insight needed to deliberately approach future designs. Spectroscopic and diffraction methods have been used to characterize the 2D and 3D pore structure and composition of the electrodes. Furthermore, operando methods that yield spatially and temporally resolved information regarding the progression of the electrochemical reaction are highlighted. The third aspect considered is the utilization of modeling. Physically based continuum models linked with the results of experimental characterization have been demonstrated and then allow the rapid simulation of a variety of deliberate electrode designs and their impacts on functional electrochemistry. Variables relevant to the designs can be tested by the model under a series of use conditions to identify those of most promise for a specific application. Finally, an outlook on future opportunities for high-loading battery electrode research is provided to inform and entice practitioners in the field to pursue these important directions of inquiry.

25 ENERGY STORAGE↗
NASA NTRS2001

Ceramic Inclusions in Powder Metallurgy Disk Alloys: Characterization and Modeling

Powder metallurgy alloys are increasingly used in gas turbine engines, especially in turbine disk applications. Although powder metallurgy materials have many advantages over conventionally cast and wrought alloys (higher strength, higher temperature capability, etc.), they suffer from the rare occurrence of ceramic defects (inclusions) that are inherent to the powder atomization process. These inclusions can have a potentially large detrimental effect on the durability of individual components. An inclusion in a high stress location can act as a site for premature crack initiation and thereby considerably reduce the fatigue life. Because these inclusions are exceedingly rare, they typically do not reveal themselves in the process of characterizing the material for a particular application (the cumulative volume of the test bars in a fatigue life characterization is typically on the order of a single actual component). Ceramic inclusions have, however, been found to be the root cause of a number of catastrophic engine failures. To investigate the effect of these inclusions in detail, we have undertaken a study where known populations of ceramic particles, whose composition and morphology are designed to mimic the "natural" inclusions, are added to the precursor powder. Surface-connected inclusions have been found to have a particularly large detrimental effect on fatigue life; therefore, the quantity of ceramic "seeds" added is calculated to ensure that a minimum number will intersect the surface of the fatigue test bars. Because the ceramic inclusions are irregularly shaped and have a tendency to break up in the process of extrusion and forging, a method of calculating the probability of occurrence and expected intercepted surface area was needed. We have developed a Monte Carlo simulation to determine the distributions of these parameters and have verified the simulated results with observations of ceramic inclusions found in macroscopic slices from extrusions and forgings. Fatigue specimens have been machined from Udimet 720 (a powder metallurgy superalloy) forgings, to determine the effects of the inclusions on fatigue life. The ultimate goal of this study will be to use probabilistic methods to determine the reliability detriment that can be attributed to these ceramic inclusions. This work has been supported by the Ultra Safe and Ultra- Efficient Engine Technologies programs.

Bonacuse, Peter J.↗
NASA NTRS2000

A Numerical Evaluation of Icing Effects on a Natural Laminar Flow Airfoil

As a part of CFD code validation efforts within the Icing Branch of NASA Glenn Research Center, computations were performed for natural laminar flow (NLF) airfoil, NLF-0414. with 6 and 22.5 minute ice accretions. Both 3-D ice castings and 2-D machine-generated ice shapes were used in wind tunnel tests to study the effects of natural ice is well as simulated ice. They were mounted in the test section of the Low Turbulence Pressure Tunnel (LTPT) at NASA Langley that the 2-dimensionality of the flow can be maintained. Aerodynamic properties predicted by computations were compared to data obtained through the experiment by the authors at the LTPT. Computations were performed only in 2-D and in the case of 3-D ice, the digitized ice shape obtained at one spanwise location was used. The comparisons were mainly concentrated on the lift characteristics over Reynolds numbers ranging from 3 to 10 million and Mach numbers ranging from 0.12 to 0.29. WIND code computations indicated that the predicted stall angles were in agreement with experiment within one or two degrees. The maximum lift values obtained by computations were in good agreement with those of the experiment for the 6 minute ice shapes and the minute 3-D ice, but were somewhat lower in the case of the 22.5 minute 2-D ice. In general, the Reynolds number variation did not cause much change in the lift values while the variation of Mach number showed more change in the lift. The Spalart-Allmaras (S-A) turbulence model was the best performing model for the airfoil with the 22.5 minute ice and the Shear Stress Turbulence (SST) turbulence model was the best for the airfoil with the 6 minute ice and also for the clean airfoil. The pressure distribution on the surface of the iced airfoil showed good agreement for the 6 minute ice. However, relatively poor agreement of the pressure distribution on the upper surface aft of the leading edge horn for the 22.5 minute ice suggests that improvements are needed in the grid or turbulence models.

Chung, James J.↗
NASA NTRS2021

Bias-Correcting Carbon Fluxes Derived From Land-Surface Satellite Data for Retrospective and Near Real-Time Assimilation Systems

The ability to monitor and understand natural and anthropogenic variability in atmospheric carbon dioxide(CO2) is a growing need of many stakeholders across the world. Systems that assimilate satellite observations, given their short latency and dense spatial coverage, into high resolution global models are valuable, if not essential, tools for addressing this need. A notable drawback of modern assimilation systems is the long latency of many vital in-put datasets, e.g., inventories, in situ measurements, and re-processed remote-sensing data can trail the current date by months to years. This paper describes techniques for bias-correcting surface fluxes derived from satellite observations of the Earth’s surface to be consistent with constraints from inventories and in situ CO2 datasets. The techniques are applicable in both short-term forecasts and retrospective simulations, thus taking advantage of the coverage and short latency of satellite data while reproducing the major features of long-term inventory and in situ records. Our approach begins with a standard collection of diagnostic fluxes which incorporate a variety of remote-sensing driver data, viz. vegetation indices, fire radiative power, and nighttime lights. We then apply an empirical sink so that global budgets of the diagnostic fluxes match given atmospheric and oceanic growth rates for each year. This step removes coherent, systematic flux errors that produce biases inCO2which mask the signals an assimilation system hopes to capture. Depending on the simulation mode, the empirical sink uses different choices of atmospheric growth rates: estimates based on observations in retrospective mode and projections based on seasonal fore-casts of sea surface temperature in forecasting mode. The retrospective fluxes, when used in simulations with NASA’s Goddard Earth Observing System (GEOS), reproduce marine boundary layer measurements with comparable skill to those using fluxes from a modern inversion system. The forecasted fluxes show promising accuracy in their application to the analysis of changes in the carbon cycle as they occur.

CO2↗
NASA NTRS2002

Ceramic Inclusions In Powder Metallurgy Disk Alloys: Characterization and Modeling

Powder metallurgy alloys are increasingly used in gas turbine engines, especially as the material chosen for turbine disks. Although powder metallurgy materials have many advantages over conventionally cast and wrought alloys (higher strength, higher temperature capability, etc.), they suffer from the rare occurrence of ceramic defects (inclusions) that arise from the powder atomization process. These inclusions can have potentially large detrimental effect on the durability of individual components. An inclusion in a high stress location can act as a site for premature crack initiation and thereby considerably reduce the fatigue life. Because these inclusions are exceedingly rare, they usually don't reveal themselves in the process of characterizing the material for a particular application (the cumulative volume of the test bars in a fatigue life characterization is typically on the order of a single actual component). Ceramic inclusions have, however, been found to be the root cause of a number of catastrophic engine failures. To investigate the effect of these inclusions in detail, we have undertaken a study where a known population of ceramic particles, whose composition and morphology are designed to mimic the 'natural' inclusions, are added to the precursor powder. Surface connected inclusions have been found to have a particularly large detrimental effect on fatigue life, therefore the volume of ceramic 'seeds' added is calculated to ensure that a minimum number will occur on the surface of the fatigue test bars. Because the ceramic inclusions are irregularly shaped and have a tendency to break up in the process of extrusion and forging, a method of calculating the probability of occurrence and expected intercepted surface and embedded cross-sectional areas were needed. We have developed a Monte Carlo simulation to determine the distributions of these parameters and have verified the simulated results with observations of ceramic inclusions found in macro slices from extrusions and forgings. The ultimate goal of this study will be to use probabilistic methods to determine the reliability detriment that can be attributed to these ceramic inclusions.

Bonacuse, Pete↗