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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Binding of carboxylate and water to monovalent cations

The interactions of carboxylate anions with water and cations are important for a wide variety of systems, both biological and synthetic. Here, in order to gain insight on properties of the local complexes, we apply density functional theory, to treat the complex electrostatic interactions, and investigate mixtures with varied numbers of carboxylate anions (acetate) and waters binding to monovalent cations, Li + , Na + and K + . The optimal structure with overall lowest free energy contains two acetates and two waters such that the cation is four-fold coordinated, similar to structures found earlier for pure water or pure carboxylate ligands. More generally, the complexes with two acetates have the lowest free energy. In transitioning from the overall optimal state, exchanging an acetate for water has a lower free energy barrier than exchanging water for an acetate. In most cases, the carboxylates are monodentate and in the first solvation shell. As water is added to the system, hydrogen bonding between waters and carboxylate O atoms further stabilizes monodentate structures. These structures, which have strong electrostatic interactions that involve hydrogen bonds of varying strength, are significantly polarized, with ChelpG partial charges that vary substantially as the bonding geometry varies. Overall, these results emphasize the increasing importance of water as a component of binding sites as the number of ligands increases, thus affecting the preferential solvation of specific metal ions and clarifying Hofmeister effects. Finally, structural analysis correlated with free energy analysis supports the idea that binding to more than the preferred number of carboxylates under architectural constraints are a key to ion transport.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1975

Hypersonic wing test structure design, analysis, and fabrication

An investigation was conducted to provide the analyses, data, and hardware required to experimentally validate the beaded panel concept and demonstrate its usefulness as a basis for design of a hypersonic research airplane (HRA). Combinations of beaded panel structure, heat shields, channel caps, and corrugated webs for ribs and spars were analyzed for the wing of a specified HRA to operate at Mach 8 with a life span of 150 flights. Detailed analyses, conducted in accordance with established design criteria, included aerodynamic heating and load predictions, transient structural thermal calculations, extensive NASTRAN computer modeling, and structural optimization. After geometry was established for the total wing, part of the wing (85 sq ft) was designed, fabricated, and assembled into a test structure to experimentally verify the structural adequacy of the beaded panel design concept.

Plank, P. P.↗
NASA NTRS1984

Optimization applications in aircraft engine design and test

Starting with the NASA-sponsored STAEBL program, optimization methods based primarily upon the versatile program COPES/CONMIN were introduced over the past few years to a broad spectrum of engineering problems in structural optimization, engine design, engine test, and more recently, manufacturing processes. By automating design and testing processes, many repetitive and costly trade-off studies have been replaced by optimization procedures. Rather than taking engineers and designers out of the loop, optimization has, in fact, put them more in control by providing sophisticated search techniques. The ultimate decision whether to accept or reject an optimal feasible design still rests with the analyst. Feedback obtained from this decision process has been invaluable since it can be incorporated into the optimization procedure to make it more intelligent. On several occasions, optimization procedures have produced novel designs, such as the nonsymmetric placement of rotor case stiffener rings, not anticipated by engineering designers. In another case, a particularly difficult resonance contraint could not be satisfied using hand iterations for a compressor blade, when the STAEBL program was applied to the problem, a feasible solution was obtained in just two iterations.

Pratt, T. K.↗
NASA NTRS2004

Statistical Analysis of CMC Constituent and Processing Data

Ceramic Matrix Composites (CMCs) are the next "big thing" in high-temperature structural materials. In the case of jet engines, it is widely believed that the metallic superalloys currently being utilized for hot structures (combustors, shrouds, turbine vanes and blades) are nearing their potential limits of improvement. In order to allow for increased turbine temperatures to increase engine efficiency, material scientists have begun looking toward advanced CMCs and SiC/SiC composites in particular. Ceramic composites provide greater strength-to-weight ratios at higher temperatures than metallic alloys, but at the same time require greater challenges in micro-structural optimization that in turn increases the cost of the material as well as increases the risk of variability in the material s thermo-structural behavior. to model various potential CMC engine materials and examines the current variability in these properties due to variability in component processing conditions and constituent materials; then, to see how processing and constituent variations effect key strength, stiffness, and thermal properties of the finished components. Basically, this means trying to model variations in the component s behavior by knowing what went into creating it. inter-phase and manufactured by chemical vapor infiltration (CVI) and melt infiltration (MI) were considered. Examinations of: (1) the percent constituents by volume, (2) the inter-phase thickness, (3) variations in the total porosity, and (4) variations in the chemical composition of the Sic fiber are carried out and modeled using various codes used here at NASA-Glenn (PCGina, NASALife, CEMCAN, etc...). The effects of these variations and the ranking of their respective influences on the various thermo-mechanical material properties are studied and compared to available test data. The properties of the materials as well as minor changes to geometry are then made to the computer model and the detrimental effects observed using statistical analysis software. The ultimate purpose of this study is to determine what variations in material processing can lead to the most critical changes in the materials property. The work I have taken part in this summer explores, in general, the key properties needed In this study SiC/SiC composites of varying architectures, utilizing a boron-nitride (BN)

Fornuff, Jonathan↗
DOE OSTI2022

Stabilization of Dinuclear Rhodium and Iridium Clusters on Layered Titanate and Niobate Supports

Atomically dispersed organometallic clusters can provide well-defined nuclearity of active sites for both fundamental studies as well as new regimes of activity and selectivity in chemical transformations. More recently, dinuclear clusters adsorbed onto solid surfaces have shown novel catalytic properties resulting from the synergistic effect of two metal centers to anchor different reactant species. Difficulty in synthesizing, stabilizing, and characterizing isolated atoms and clusters without agglomeration challenges allocating catalytic performance to atomic structure. Here, we explore the stability of dinuclear rhodium and iridium clusters adsorbed onto layered titanate and niobate supports using molecular precursors. Both systems maintain their nuclearity when Statistical analysis of HAADF-STEM images revealed that rhodium and iridium dimers had mean cluster-to-cluster distances very similar to what is expected from a random distribution of atoms over a large area, indicating that they are dispersed without aggregation. The stability of dinuclear rhodium clusters supported on titanate nanosheets was also investigated by X-ray absorption fine structure (EXAFS), DRIFTS, and first-principles calculations. Both X-ray absorption spectroscopy and HAADF-STEM simulations, guided by density functional theory (DFT)-optimized structure models, suggested that rhodium dimers adsorb onto the nanosheets in an end-on binding mode that is stable up to 100 degrees C under reducing conditions. Finally, this study highlights that crystalline nanosheets derived from layered metal oxides can be used as model supports to selectively stabilize dinuclear clusters, which could have implications for heterogeneous catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

An efficient approach to explore the solution space of a wind turbine rotor design process

This study proposes a novel approach to explore the solution space of a wind turbine rotor design process. The goal is to offer to blade designers the possibility to select an optimal rotor for given market conditions, assessing trade-offs and alternatives in a matter of minutes. The design process consists of sequential aerodynamic-structural optimizations, where the two loops are linked via a blade-loading parameter that can be varied by the user. A design study is performed starting from the IEA Wind Task 37 land-based reference wind turbine. The solution space is characterized for rotor diameters in the range of 130–160 m, rated generator power values in the range of 3.0–6.0 MW, and tip-speed ratios in the range of 7.5–12.5. Results are discussed highlighting optimal design decisions and trade-offs.

17 WIND ENERGY↗
NASA NTRS1992

The NASA/Industry Design Analysis Methods for Vibrations (DAMVIBS) Program - A government overview

An overview is presented of government contributions to the program called Design Analysis Methods for Vibrations (DAMV) which attempted to develop finite-element-based analyses of rotorcraft vibrations. NASA initiated the program with a finite-element modeling program for the CH-47D tandem-rotor helicopter. The DAMV program emphasized four areas including: airframe finite-element modeling, difficult components studies, coupled rotor-airframe vibrations, and airframe structural optimization. Key accomplishments of the program include industrywide standards for modeling metal and composite airframes, improved industrial designs for vibrations, and the identification of critical structural contributors to airframe vibratory responses. The program also demonstrated the value of incorporating secondary modeling details to improving correlation, and the findings provide the basis for an improved finite-element-based dynamics design-analysis capability.

Kvaternik, Raymond G.↗
NASA NTRS2013

Multiphysics Modeling of a Single Channel in a Nuclear Thermal Propulsion Grooved Ring Fuel Element

In the past, fuel rods have been used in nuclear propulsion applications. A new fuel element concept that reduces weight and increases efficiency uses a stack of grooved discs. Each fuel element is a flat disc with a hole on the interior and grooves across the top. Many grooved ring fuel elements for use in nuclear thermal propulsion systems have been modeled, and a single flow channel for each design has been analyzed. For increased efficiency, a fuel element with a higher surface-area-to-volume ratio is ideal. When grooves are shallower, i.e., they have a lower surface area, the results show that the exit temperature is higher. By coupling the physics of turbulence with those of heat transfer, the effects on the cooler gas flowing through the grooves of the thermally excited solid can be predicted. Parametric studies were done to show how a pressure drop across the axial length of the channels will affect the exit temperatures of the gas. Geometric optimization was done to show the behaviors that result from the manipulation of various parameters. Temperature profiles of the solid and gas showed that more structural optimization is needed to produce the desired results. Keywords: Nuclear Thermal Propulsion, Fuel Element, Heat Transfer, Computational Fluid Dynamics, Coupled Physics Computations, Finite Element Analysis

Kim, Tony↗
DOE OSTI2020

Multiobjective and categorical global optimization of photonic structures based on ResNet generative neural networks

Abstract We show that deep generative neural networks, based on global optimization networks (GLOnets), can be configured to perform the multiobjective and categorical global optimization of photonic devices. A residual network scheme enables GLOnets to evolve from a deep architecture, which is required to properly search the full design space early in the optimization process, to a shallow network that generates a narrow distribution of globally optimal devices. As a proof-of-concept demonstration, we adapt our method to design thin-film stacks consisting of multiple material types. Benchmarks with known globally optimized antireflection structures indicate that GLOnets can find the global optimum with orders of magnitude faster speeds compared to conventional algorithms. We also demonstrate the utility of our method in complex design tasks with its application to incandescent light filters. These results indicate that advanced concepts in deep learning can push the capabilities of inverse design algorithms for photonics.

Jiang, Jiaqi↗
DOE OSTI2021

Hydrokinetic Energy Conversion by Flow-Induced Oscillation of Two Tandem Cylinders of Different Stiffness

Abstract The vortex-induced vibration for aquatic clean energy (VIVACE) converter harnesses hydrokinetic energy by enhancing flow-induced oscillations (FIOs) of elastically supported rigid cylinders in a river, tide, or ocean current. The harnessing power depends on the intensity of the oscillation, which is a consequence of the flow–structure interaction. The inflow condition for the downstream (second) cylinder is slowed down and perturbed by the upstream (first) cylinder, due to the shielding effect. Therefore, the optimal structural parameters, i.e., stiffness and damping ratio, for the second cylinder may be different from the first cylinder, in terms of energy harnessing. To improve the performance of the VIVACE converter, a series of experiments are conducted in a recirculating water channel, with various stiffness combinations of two cylinders in tandem. Results show that the stiffness of the second cylinder, K2, does not affect the energy harnessing power in vortex-induced vibration (VIV) occurring at low speeds, because the oscillation of the downstream cylinder in this velocity range is completely dominated by the wake of the upstream cylinder. K2 has a great influence on the harnessing power at higher velocities in the transition region from VIV to galloping and in galloping. Changing K2 onsets and enhances galloping at lower flow velocity and harnesses up to 110% more energy than the case of K1 = K2.

Engineering↗
NASA NTRS1981

Sensitivity of optimum solutions to problem parameters

In an aircraft configuration optimization, the information of interest is the sensitivity of optimal block fuel consumption and wing aspect ratio and area, to variations of required range and payload. The objectives of this study are: (1) to show how the equations capable of yielding the sensitivity derivatives (the sensitivity equations) can be obtained for a constrained optimum regardless of the type of optimization algorithm that was used to arrive at the optimum point, (2) to review the solvability of the sensitivity equations and (3) to report on applications on structural optimization. Numerical examples, which demonstrate the sensitivity analysis, include a tubular column and a three-bar truss for which closed form solutions are obtained, a ten-bar truss that requires the use of a finite element analysis, and a thin-walled beam characterized by strongly nonlinear constraints for local buckling. It is concluded that a practically significant extrapolation accuracy may be obtained for a reasonably broad range of parameter changes; and that accuracy does not depend strongly on the degree of convergence of the optimum solution from which the sensitivity derivatives are obtained.

Sobieszczanski-Sobieski, J.↗
NASA NTRS1987

The multi-disciplinary design study. A life cycle cost algorithm

Life-cycle cost (LCC) is investigated as a comprehensive design criterion for two major interrelated spacecraft subsystems, Controls and Structures. A Multi-Disciplinary Design Tool (MDDT) is developed to evaluate the sensitivity of LCC to subsystem design parameters. Major costs addressed are: non-recurring; launch; ground support; maintenance; expendables; and software. Examples and results from the MDDT are described, including a structural optimization study between different truss designs; a solar array feathering trade for a minimal drag configuration during umbra; and the cost of active control of a flexible structure is compared against the cost of passive damping using visco-elastic material.

Harding, R. R.↗
NASA NTRS1983

NASA LeRC/Akron University Graduate Cooperative Fellowship Program and Graduate Student Researchers Program

On June 1, 1980, the University of Akron and the NASA Lewis Research Center (LERC) established a Graduate Cooperative Fellowship Program in the specialized areas of Engine Structural Analysis and Dynamics, Computational Mechanics, Mechanics of Composite Materials, and Structural Optimization, in order to promote and develop requisite technologies in these areas of engine technology. The objectives of this program are consistent with those of the NASA Engine Structure Program in which graduate students of the University of Akron participate by conducting research at Lewis. This report is the second on this grant and summarizes the second and third year research effort, which includes the participation of five graduate students where each student selects one of the above areas as his special field of interest. Each student is required to spend 30 percent of his educational training time at the NASA Lewis Research Center and the balance at the University of Akron. His course work is judiciously selected and tailored to prepare him for research work in his field of interest. A research topic is selected for each student while in residence at the NASA Lewis Research Center, which is also approved by the faculty of the University of Akron as his thesis topic for a Master's and/or a Ph.D. degree.

Fertis, D. G.↗
DOE OSTI2022

Hydrogen bonds and dispersion forces serving as molecular locks for tailored Group 11 bis(amidine) complexes

A flexible polydentate bis(amidine) ligand LH 2 , LH 2 = {CH 2 NH( t Bu)C=N-2-(6-MePy)} 2 , operates as a molecular lock for various coinage metal fragments and forms the dinuclear complexes [LH 2 (MCl) 2 ], M = Cu (1), Au (2), the coordination polymer [{(LH 2 ) 2 (py) 2 (AgCl) 3 }(py) 3 ] n (3), and the dimesityl-digold complex [LH 2 (AuMes) 2 ] (4) by formal insertion of MR fragments (M = Cu, Ag, Au; R = Cl, Mes) into the N–H∙∙∙N hydrogen bonds of LH 2 in yields of 43–95%. Complexes 1, 2, and 4 adopt C 2 -symmetrical structures in the solid state featuring two interconnected 11-membered rings that are locked by two intramolecular N–H∙∙∙R–M hydrogen bonds. QTAIM analyses of the computational geometry-optimized structures 1a, 2a, and 4a reveal 13, 11, and 22 additional bond critical points, respectively, all of which are related to weak intramolecular attractive interactions, predominantly representing dispersion forces, contributing to the conformational stabilization of the C2-symmetrical stereoisomers in the solid state. Variable-temperature 1 H NMR spectroscopy in combination with DFT calculations indicate a dynamic conformational interconversion between two C 2 -symmetrical ground state structures in solution (ΔG ‡ c = 11.1–13.8 kcal mol –1 ), which is accompanied by the formation of an intermediate possessing C i symmetry that retains the hydrogen bonds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2012

Progress in the Fabrication and Testing of Telescope Mirrors for the James Webb Space Telescope

The telescope of the James Webb Space Telescope (JWST) is an f/20, three mirror anastigmat design, passively cooled (40K) in an L2 orbit. The design provides diffraction limited performance (Strehl > or = 0.8) at .=2 m. To fit within the launch vehicle envelope (Arianne V), the 6.6 meter primary mirror and the secondary mirror support structure are folded for launch, then deployed and aligned in space. The primary mirror is composed of 18 individual, 1.3 meter (flat flat) hexagonal segments, each adjustable in seven degrees of freedom (six rigid body + radius of curvature) provided by a set of high precision actuators. The actuated secondary mirror (approx.0.74m) is similarly positioned in six degrees of rigid body motion. The approx..70x.51m, fixed tertiary and approx. 0.17m, flat fine steering mirror complete the telescope mirror complement. The telescope is supported by a composite structure optimized for performance at cryogenic temperatures. All telescope mirrors are made of Be with substantial light-weighting (21 kg for each 1.3M primary segment). Additional Be mounting and supporting structure for the high precision (approx.10nm steps) actuators are attached to the primary segments and secondary mirror. All mirrors undergo a process of thermal stabilization to reduce stress. An extensive series of interferometric measurements guide each step of the polishing process. Final polishing must account for any deformation between the ambient temperature of polishing and the cryogenic, operational temperature. This is accomplished by producing highly precise, cryo deformation target maps of each surface which are incorporated into the final polishing cycle. All flight mirrors have now completed polishing, coating with protected Au and final cryo testing, and the telescope is on track to meet all system requirements. We here review the measured performance of the component mirrors and the predicted performance of the flight telescope.

Bowers, Charles↗
DOE OSTI2023

Relative-Humidity Dependence of Electrochemically Active Surface Area in Porous Carbon Catalyst Layers

Polymer-electrolyte fuel cells (PEFCs) utilize porous catalyst layers (CLs) formed of carbon supports on which Pt particles are deposited and ionomer films are distributed. Carbon supports themselves have varying degrees of porosity, where high-surface-area carbon (HSC) supports possess nanometer-sized interior pores that are suitable for Pt nanoparticle deposition but prevent deleterious ionomer penetration. However, this requires protons to transport through water pathways inside the pores. To understand the generation of such pathways, we examine the various mechanisms of water uptake by PEFC CLs, and the subsequent impact of water uptake on Pt utilization through developing a multiphysics model of the water wetting phenomena as a function of relative humidity. The model details water uptake via ionomer absorption, capillary condensation in the hydrophilic pores, and surface adsorption using molecular potential that account for various water and surface dipole interactions. The results quantify how mesoporous carbons with highly hydrophilic pores increase Pt utilization through the development of wetted layers, which at the same time enable optimized gas-transport pathways. It also demonstrates the impact of pore-size distribution (PSD) and physical and chemical parameters on the water uptake phenomena, allowing for future CL particle and structure optimization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Study of an Integration Platform Based on an Adiabatic Active-Layer Waveguide Connection for InP Photonic Device Integration Mirroring That of Heterogeneous Integration on Silicon

In this work, a photonic device integration platform capable of integration of active-passive InP-based photonic devices without the use of material regrowth is introduced. The platform makes use of an adiabatic active-layer waveguide connection (ALWC) to move an optical beam between active and passive devices. The performance of this platform is analyzed using an example made up of four main sections: (1) a fiber coupling section for enabling vertical beam coupling from optical fiber into the photonic chip using a mode-matched surface grating with apodized duty cycles; (2) a transparent waveguide section for realizing passive photonic devices; (3) an adiabatic mode connection structure for moving the optical beam between passive and active device sections; and (4) an active device section for realizing active photonic devices. It is shown that the coupled surface grating, when added with a bottom gold reflector, can achieve a high chip-to-fiber coupling efficiency (CE) of 88.3% at 1550 nm. The adiabatic active-layer mode connection structure has an optical loss of lower than 1% (CE > 99%). The active device section can achieve an optical gain of 20 dB/mm with the use of only 3 quantum wells. The optimized structural parameters of the entire waveguide module are analyzed and discussed.

42 ENGINEERING↗