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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 1,225 records · Page 68

Mapping Thermoelectric Transport in a Multicomponent Alloy Space

Abstract Interest in high entropy alloy thermoelectric materials is predicated on achieving ultralow lattice thermal conductivity κ L through large compositional disorder. However, here it is shown that for a given mechanism, such as mass contrast phonon scattering, κ L will be minimized along the binary alloy with highest mass contrast, such that adding an intermediate mass atom to increase atomic disorder can increase thermal conductivity. Only when each component adds an independent scattering mechanism (such as adding strain fluctuation to an existing mass fluctuation) is there a benefit. In addition, both charge carriers and heat‐carrying phonons are known to experience scattering due to alloying effects, leading to a trade‐off in thermoelectric performance. Analytic transport models are applied, based on perturbation and effective medium theories, to predict how alloy scattering will affect the thermal and electronic transport across the full compositional range of several pseudo‐ternary and pseudo‐quaternary alloy systems. To do so, a multicomponent extension is demonstrated to both thermal and electronic binary alloy scattering models based on the virtual crystal approximation. Finally, it is shown that common functional forms used in computational thermodynamics can be applied to this problem to further generalize the scattering behavior that is modeled.

36 MATERIALS SCIENCE↗

Interpenetrating 3D Electrodes for High-Rate Alkaline Water Splitting

Mass transfer is critical for the reaction kinetics and efficiency of alkaline water splitting (AWS). For AWS to operate at high current densities (hundreds of mA/cm 2 ), the device architecture must ensure a large catalytic surface area, rapid ion diffusion, and minimal solution and charge transfer resistances. Effective electrodes should also facilitate gas bubble detachment and release. 3D-printed electrodes have shown promise, but stacking them increases the ion diffusion length and solution resistance. Here we demonstrate a new device architecture with interpenetrating gyroid electrodes, providing a large ion-accessible surface area and gas diffusion channels. This design significantly reduces the interelectrode distance, lowering ion diffusion length and solution resistance. Simulations show faster ion diffusion and higher current density in the interpenetrating configuration compared with separate electrodes. This improved performance, especially at low temperatures and high current densities, highlights a promising strategy for enhancing AWS and other electrochemical systems limited by slow ion diffusion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Synergy between Photoluminescence and Charge Transport Achieved by Finely Tuning Polymeric Backbones for Efficient Light-Emitting Transistor

The lack of design principle for developing high-performance polymer materials displaying strong fluorescence and high ambipolar charge mobilities limited their performance in organic light-emitting transistors (OLETs), electrically pumped organic laser, and other advanced electronic devices. Here, a series of semiladder polymers by copolymerization of weak acceptors (TPTQ or TPTI) and weak donors (fluorene (F) or carbazole (C)) have been developed for luminescent and charge transporting properties. It was found that enhanced planarity, high crystallinity, and a delicate balance in interchain aggregation obtained in the new copolymer, TPTQ-F, contributed to high ambipolar charge mobilities and photoluminescent quantum yield. TPTQ-F showed excellent performance in solution-processed multilayered OLET devices with an external quantum efficiency (EQE) of 5.3%.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Scaling Analysis of Two–Phase Flow in Fractal Permeability Fields

Fluid mixing in permeable media is essential in many practical applications. The mixing process is a consequence of velocity fluctuations owing to geological heterogeneities and mobility contrast of fluids. Heterogeneities in natural rocks are often spatially correlated, and their properties, such as permeability, may be described using fractal distributions. This work models the fractal characteristics of such permeability fields in which the covariance function is expressed as a power-law function. A generalized scaling relation is derived relating various fractal permeability fields using the magnitude of their fluctuations. Here, this relation reveals the self-similar behavior of two-phase flow in such permeable media. To that end, a recently developed, high-resolution numerical simulator is employed to validate the analytically derived scaling relations. Two flow problems are considered in which flow is governed by 1) a linear, and 2) a nonlinear transport equation. Due to the probabilistic representation of the fractal permeability fields, a sensitivity study is conducted for each flow scenario to determine the number of realizations required for statistical convergence. Scaling analysis is performed using ensemble averages of simulated saturation profiles and their mixing lengths. Results support the validity of the developed scaling relation across the range of investigated flow conditions at intermediate times. The dynamics of linear flow in the asymptotic regime is affected by the correlation structure of heterogeneity. In nonlinear flow, scaling behavior appears to be dominated by the degree of nonlinearity.

58 GEOSCIENCES↗

Verification and Demonstration of One-Dimensional Freezing Model in SAM for Salt-Cooled Reactor Analysis Applications

This work presented the development and implementation of the one-dimensional freezing model in system analysis code, SAM, as well as code verification, and code demonstration during a postulated overcooling transient, for fluoride salt-cooled high-temperature reactor (FHR) system and safety analysis applications. The paper at first summarized the freezing model, finite element numerical method, and special numerical treatment for handling phase appearance/disappearance. Analytical solutions were derived for two cases (with and without solid walls) for code verifications purpose. As expected, numerical results predicted by the SAM code agreed very well with the analytical solution. A code demonstration was then performed on a postulated protected overcooling event transient of a generic reference PB-FHR design. The code was found to successfully predict salt freezing during such a postulated event. However, due to lack of salt freezing testing data, code validation has not been performed in this work, which will be pursued in later studies when such data becomes available.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Cooperative Research and Development Agreement With Georgetown University Report: National Institutes of Health, National Center for Advancing Translational Sciences Clinical and Translational Science Award

Oak Ridge National Laboratory (ORNL) is participating with Georgetown University (GU) as a subrecipient in response to the National Institutes of Health (NIH), National Center for Advancing Translational Sciences (NCATS) Clinical and Translational Science Award (CTSA) (U54 Clinical Trial Optional) funding opportunity announcement. This Cooperative Research and Development Agreement is put in to place to facilitate the development and implementation of clinical interventions that demonstrably improve human health is currently a complex, recursive, and inefficient process that leads to delays of years or decades before discoveries in biomedical research result in health benefits for patients and communities. NCATS conducts and supports research in the science of translation, to discover the mechanistic and operational principles of the intervention development and dissemination process, thereby providing the scientific foundation for improvements in translational efficiency that will accelerate the realization of interventions that improve human health. Under NCATS’ leadership, the CTSA Program supports a national network of medical research institutions called hubs. GU is the lead institution in one of the NIH hubs that was created as a result of a previous NIH CTSA. The missions of the GU have historically included the advancement of health through research in the clinical and biomedical sciences, the education of future leaders in medical and nursing practice and academia, and the provision of compassionate and scientifically competent patient care and service to the Washington, DC community and the nation. GU is the lead institution for the Georgetown-Howard Universities Center for Clinical and Translational Science (GHUCCTS), a multi-institutional partnership of medical research institutions forged from a desire to promote clinical research and translational science. Through multiple collaborations among these institutions, GHUCCTS is transforming clinical research and translational science in order to bring new scientific advances to health care. Oak Ridge National Laboratory is the Department of Energy's (DOE) largest science and energy laboratory. Managed since April 2000 by a partnership of the University of Tennessee and Battelle, ORNL was established in 1943 as a part of the secret Manhattan Project to pioneer a method for producing and separating plutonium. During the 1950s and 1960s, ORNL became an international center for the study of nuclear energy and related research in the physical and life sciences. With the creation of DOE in the 1970s, ORNL's mission broadened to include a variety of energy technologies and strategies. Today the laboratory supports the nation with a peacetime science and technology mission that is just as important as, but very different from, its role during the Manhattan Project. ORNL is home to the world's premier center for high performance supercomputing to enable scientific discovery. ORNL has extensive expertise in various areas of computer science that are uniquely situated to support GU. Additionally, ORNL’s leading computational user facilities present a unique opportunity to leverage the largest scale machines for open science in support of the stated mission of the NCATS CTSA. ORNL's partnership with GU will offer unparalleled opportunity in data analytics, deep-learning, artificial intelligence, and urban dynamics.

59 BASIC BIOLOGICAL SCIENCES↗

Cooperative Education

Los Alamos National Laboratory (LANL) is a multidisciplinary national laboratory that conducts research and development in national security, engineering, materials science, computational modeling, and advanced manufacturing. The laboratory develops innovative technologies to address complex scientific and engineering challenges. This project focuses on the development and evaluation of high-performance absorbing structures through computational design, simulation, and engineering analysis. Absorbing structures are used in applications where damage mitigation, structural protection, and material efficiency are critical performance requirements. The increasing demand for lightweight, high-strength, and highly efficient structural systems has created a need for improved design methodologies capable of maximizing absorption while minimizing weight and material usage. The project utilizes advanced engineering software, including 3D CAD software and FEA, to generate and optimize structural concepts. Computational simulations are performed to evaluate structural behavior under loading conditions, while mathematical analyses are conducted using Python-based tools as well as established analytical equations from material and structural mechanics. The project benefits LANL by supporting the development of advanced design methodologies and improving the understanding of material and structural performance. During the internship term, a significant portion of the design development, simulation, and data analysis activities will be completed. Success of the project depends on collaboration among engineering mentors and technical staff members. Work will be conducted at Los Alamos National Laboratory using laboratory computing resources and engineering software.

42 ENGINEERING↗

Thrust reverser design studies for an over-the-wing STOL transport

Aerodynamic and acoustics analytical studies were conducted to evaluate three thrust reverser designs for potential use on commercial over-the-wing STOL transports. The concepts were: (1) integral D nozzle/target reverser, (2) integral D nozzle/top arc cascade reverser, and (3) post exit target reverser integral with wing. Aerodynamic flowpaths and kinematic arrangements for each concept were established to provide a 50% thrust reversal capability. Analytical aircraft stopping distance/noise trade studies conducted concurrently with flow path design showed that these high efficiency reverser concepts are employed at substantially reduced power settings to meet noise goals of 100 PNdB on a 152.4 m sideline and still meet 609.6 m landing runway length requirements. From an overall installation standpoint, only the integral D nozzle/target reverser concept was found to penalize nacelle cruise performance; for this concept a larger nacelle diameter was required to match engine cycle effective area demand in reverse thrust.

Ammer, R. C.↗

Comparison of theoretically predicted lateral-directional aerodynamic characteristics with full-scale wind tunnel data on the ATLIT airplane

An analytical method is presented for predicting lateral-directional aerodynamic characteristics of light twin engine propeller-driven airplanes. This method is applied to the Advanced Technology Light Twin Engine airplane. The calculated characteristics are correlated against full-scale wind tunnel data. The method predicts the sideslip derivatives fairly well, although angle of attack variations are not well predicted. Spoiler performance was predicted somewhat high but was still reasonable. The rudder derivatives were not well predicted, in particular the effect of angle of attack. The predicted dynamic derivatives could not be correlated due to lack of experimental data.

Griswold, M.↗

Factors Influencing the Predicted Performance of Advanced Propeller Designs

The assumptions on which conventional propeller aerodynamic performance analyses are based can be seriously violated when advanced high speed propellers are analyzed. Studies were performed using a lifting line representation for the propeller to determine the sensitivity of predicted propeller performance to various assumptions in the analysis. Items studied include the method of determining blade section lift and the effects of blade section drag, camber and blade sweep. The effects of nonuniform flow into the propeller and compressibility were also studied. Comparisons of analytical and experimental results are presented to demonstrate the overall validity of the results.

Bober, L. J.↗

Optical measurement systems

Some of the areas of research conducted at the LeRC on optical measurement techniques for propulsion systems research are described. Most of the optical techniques used to measure gas parameters depend on very inefficient light scattering principles and, therefore, require the high light intensities provided by lasers. Significant advances in laser technology, together with the availability of sensitive photodetection systems, provide much of the impetus for research in optical diagnostics techniques. The goal of the research is to enhance the capabilities of nonintrusive research instrumentation to meet the special needs of aeropropulsion research. Optical techniques are being used to validate analytical codes and to verify the performance of aeropropulsion components and systems.

Lesco, Daniel J.↗

Crack Development in Cross-Ply Laminates Under Uniaxial Tension

This study addresses matrix-dominated failures in carbon fiber/polymer matrix composite laminates in a cross-ply lay-up. The events of interest are interlaminar fracture in the form of transverse cracks in the 90' plies and longitudinal splitting in the 0 deg plies and interlaminar fracture in the form of 0/90 delamination. These events were observed using various nondestructive evaluation (NDE) techniques during static tensile tests. Acoustic emission (AE) x radiography, and edge view microscopy were the principal ones utilized in a real-time environment. A comparison of the NDE results with an analytical model based on the classical linear fracture mechanics concept of strain energy release rate as a criterion for crack growth was performed. The virtual crack closure theory was incorporated with a finite element model to generate strain energy release rate curves for the analytical case. Celion carbon fiber/polyimide matrix (G30-500/PMR-15) was the material tested with cross-ply lay-ups of (0(2)/90(6))s and (0(4)/90(4))s. The test specimens contained thermally induced cracks caused by the high-temperature processing. The analytical model was updated to compensate for the initial damage and to study further accumulation by taking into account the crack interactions. By correlating the experimental and analytical data, the critical energy release rates were found for the observable events of interest.

Gyekenyesi, Andrew L.↗

Experiences with Probabilistic Analysis Applied to Controlled Systems

This paper presents a semi-analytic method for computing frequency dependent means, variances, and failure probabilities for arbitrarily large-order closed-loop dynamical systems possessing a single uncertain parameter or with multiple highly correlated uncertain parameters. The approach will be shown to not suffer from the same computational challenges associated with computing failure probabilities using conventional FORM/SORM techniques. The approach is demonstrated by computing the probabilistic frequency domain performance of an optimal feed-forward disturbance rejection scheme.

Kenny, Sean P.↗

Combined Heat Transfer in High-Porosity High-Temperature Fibrous Insulations: Theory and Experimental Validation

Combined radiation and conduction heat transfer through various high-temperature, high-porosity, unbonded (loose) fibrous insulations was modeled based on first principles. The diffusion approximation was used for modeling the radiation component of heat transfer in the optically thick insulations. The relevant parameters needed for the heat transfer model were derived from experimental data. Semi-empirical formulations were used to model the solid conduction contribution of heat transfer in fibrous insulations with the relevant parameters inferred from thermal conductivity measurements at cryogenic temperatures in a vacuum. The specific extinction coefficient for radiation heat transfer was obtained from high-temperature steady-state thermal measurements with large temperature gradients maintained across the sample thickness in a vacuum. Standard gas conduction modeling was used in the heat transfer formulation. This heat transfer modeling methodology was applied to silica, two types of alumina, and a zirconia-based fibrous insulation, and to a variation of opacified fibrous insulation (OFI). OFI is a class of insulations manufactured by embedding efficient ceramic opacifiers in various unbonded fibrous insulations to significantly attenuate the radiation component of heat transfer. The heat transfer modeling methodology was validated by comparison with more rigorous analytical solutions and with standard thermal conductivity measurements. The validated heat transfer model is applicable to various densities of these high-porosity insulations as long as the fiber properties are the same (index of refraction, size distribution, orientation, and length). Furthermore, the heat transfer data for these insulations can be obtained at any static pressure in any working gas environment without the need to perform tests in various gases at various pressures.

Daryabeigi, Kamran↗

Application of the Semi-Empirical Force-Limiting Approach for the CoNNeCT SCAN Testbed

The semi-empirical force-limited vibration method was developed and implemented for payload testing to limit the structural impedance mismatch (high force) that occurs during shaker vibration testing. The method has since been extended for use in analytical models. The Space Communications and Navigation Testbed (SCAN Testbed), known at NASA Glenn Research Center (GRC) as, the Communications, Navigation, and Networking re-Configurable Testbed (CoNNeCT) project utilized force-limited testing and analysis following the semi-empirical approach. This presentation presents the steps in performing a force-limited analysis and then compares the results to test data recovered during the CoNNeCT force-limited random vibration qualification test that took place at NASA Glenn Research Center (GRC) in the Structural Dynamics Laboratory (SDL) December 19, 2010 - January 7, 2011. A compilation of lessons learned and considerations for future force-limited tests is also included.

Staab, Lucas↗

Heliogyro Solar Sail Research at NASA

The recent successful flight of the JAXA IKAROS solar sail has renewed interest within NASA in spinning solar sail concepts for high-performance solar sailing. The heliogyro solar sail, in particular, is being re-examined as a potential game-changing architecture for future solar sailing missions. In this paper, we present an overview of ongoing heliogyro technology development and feasibility assessment activities within NASA. In particular, a small-scale heliogyro solar sail technology demonstration concept will be described. We will also discuss ongoing analytical and experimental heliogyro structural dynamics and controls investigations and provide an outline of future heliogyro development work directed toward enabling a low cost heliogyro technology demonstration mission ca. 2020.

Wilkie, W. Keats↗

Raman Microscopy Analysis of Wyoming CarbonSAFE Pilot Well Thin Sections for Mineralogy and Organic Matter Characterization

Scanning confocal Raman microspectroscopy (RMS) was used to analyze thin sections for inorganic mineral content and for evaluation of organic material (OM). Thin sections were selected from a stratigraphic test well core in the Powder River Basin, Wyoming under the Wyoming CarbonSAFE project. The well was analyzed with a variety of rock and fluid characterization techniques to determine the feasibility of a commercial-scale CO2 storage site. RMS complements other analyses, including traditional petrography, SEM, porosity and permeability, and XRD For this aspect of the study, RMS is especially important in the evaluation of OM in sealing lithologies. At prospective geologic CO2 storage sites, it is imperative to assess the unconventional oil and gas potential of seals to ensure that any future development would not compromise the integrity of the seals. Whole-slide mineralogical surveys were performed on thin sections from various shale and sandstone formations. Surveys were analyzed with Direct Classical Least Squares to identify and quantify minerals. The location and concentration of minerals was color-coded and overlaid on optical images for visualization of the distribution of minerals. Dense hyperspectral Raman mapping of OM was performed on five thin sections. Eleven spectral parameters diagnostic of organic type and thermal maturity were used to train a Partial Least Squares (PLS) calibration against a set of artificially matured samples spanning the pre- to mid-oil window. The PLS was applied to the study set and a post-mature set. Additionally, the PLS was applied to each point in hyperspectral maps for visualization of trends in maturity across sample sets and discrimination of organic matter types within a given map. In inorganic surveys on thin sections, a total of 14 unique inorganic minerals were identified in Raman spectra including quartz, dolomite, calcite, hematite and anhydrite. Shale thin sections tended to be dominated by organic material. OM was often observed mixed with inorganic minerals. Sand- and mudstones were dominated by inorganic minerals. The PLS extrapolated the post-mature set to reflectances >1.2%. The study set ranged from very immature to postmature in the median of map fit-peak parameters. However, point maturity maps indicate that matrix OM in all study samples is immature and that discreet organic particles selected for mapping, which may be inertinites, bias medians towards more-mature. The work demonstrates the capabilities of RMS to perform both whole-slide mineralogy and OM analysis with applications to formation evaluation in oil & gas, carbon sequestration and mining. Here, analysis of sealing formations in the well indicates high levels of immature organic matter that would not be a viable target for future oil production that could compromise the CO2 storage site. The work brings together diverse disciplines from geology and petrography to analytical chemistry, big data and microscopy.

Myers, Grant↗

Analytic Modeling of a Deep Shielding Problem

Previous generations of scientists would make tremendous efforts to simplify non-tractable problems and generate simpler models that preserved the fundamental physics. This process involved applying assumptions and simplifications to reduce the complexity of the problem until it reached a solvable form. Each assumption and simplification was chosen and applied with the intent to preserve the essential physics of the problem, since, if the core physics of the problem were eliminated, the simplified model served no purpose. Moreover, if done correctly, solutions to the reduced model would serve as useful approximations to the original problem. In a sense, solving the simple models laid the ground-work for and provided insight into the more complex problem. Today, however, the affordability of high performance computing has essentially replaced the process for analyzing complex problems. Rather than "building up" a problem by understanding smaller, simpler models, a user generally relies on powerful computational tools to directly arrive at solutions to complex problems. As computational resources grow, users continue trying to simulate new, more complex, or more detailed problems, resulting in continual stress on both the code and computational resources. When these resources are limited, the user will have to make concessions by simplifying the problem while trying to preserve important details. In the context of the Monte Carlo N-Particle radiation transport simulation tool, simplifications typically come as reductions in geometry, or by using variance reduction techniques. Both approaches can influence the physics of the problem, leading to potentially inaccurate or non-physical results. Errors can also be introduced as a result of faulty input into a computational tool: something as simple as transposing numbers in a tally input can result in incorrect answers. In this paradigm, reduced complexity computational and analytical models still have an important purpose. The explicit form of an analytic solution is arguably the best way to understand the qualitative properties of simple models. In contrast to "building up" a complex problem through understanding simpler problems, results from detailed computational scenarios can be better explained by "building down" the complex model through simple models rooted in the fundamental or essential phenomenology. Simplified analytic and computational models can be used to 1) increase a user's confidence in the computational solution of a complex model, 2) confirm there are no user input errors, and 3) ensure essential assumptions of the simulation tool are preserved. This process of using analytic models to develop a more valuable analysis of simulation results is named the results assessment methodology. The utility of the results assessment methodology and a complimentary sensitivity analysis is exemplified through the analysis of the neutron flux in a dry used fuel storage cask. This application was chosen due to current scientific interest in used nuclear fuel storage.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗