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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 667 records · Page 37

Aerothermodynamics research at NASA Ames

Research activity in the aerothermodynamics branch at NASA Ames Research Center is reviewed. Advanced concepts and mission studies relating to the next generation aerospace transportation systems are summarized and directions for continued research identified. Theoretical and computational studies directed at determining flow fields and radiative and convective heating loads in real gases are described. Included are Navier-Stokes codes for equilibrium and thermochemical nonequilibrium air. Experimental studies in the 3.5 foot hypersonic wind tunnel, the ballistic ranges and the electric arc driven shock tube are described. Tested configurations included generic hypersonic aerospace plane configurations, aeroassisted orbital transfer vehicle shapes and Galileo probe models.

Deiwert, George S.↗

Multi-Fidelity Computational Analysis of a Quiet Single-Main Rotor Helicopter for Air Taxi Operations

A multi-fidelity computational study has been conducted on NASA’s quiet single-main rotor helicopter concept for urban air mobility using computational fluid dynamics and rotorcraft comprehensive analysis tools. Two approaches have been followed in order to simulate the rotor flows: (1) a rotor disk model, which models the rotors as source terms, and (2) a high-fidelity approach using high-order accurate schemes and dual-time stepping, which simulates the rotor with its individual rotating blade grids. The delayed detached-eddy simulation model has been employed. A loose-coupling approach between the flow solver and a rotorcraft comprehensive code is utilized to include vehicle trim and motion variables. The quiet single-main rotor helicopter is one of the conceptual designs intended to focus and guide NASA’s research activities in support of aircraft development for vertical take-off and landing air taxi operations.

RVLT↗

Investigation of Physical Mechanisms for Jet Noise Reduction by Plug Nozzle Porosity

This paper presents the results of a computational study on porous-plug nozzles for their eventual application in reducing takeoff noise levels for supersonic civil transport. The study explores a wide range of porous-plug geometries, encompassing variations in hole size, plug length and porosity. Computational fluid dynamics (CFD) analyses are employed in concert with an advanced automated mesh refinement (AMR) scheme, Sketch-to-Solution (S2S), to investigate porous plug nozzle design strategies that may diminish shock strength, broad-band shock noise (BBSN), flow separation, and other undesirable characteristics associated with high takeoff noise levels. A selected subset of the porous-plug nozzles that were analyzed computationally were manufactured at subscale using stereolithography 3D printing. These nozzles were tested experimentally, obtaining far-field noise spectral data and schlieren flow visualization pictures. Detailed comparisons between CFD predictions and experimental results were conducted. These comparisons focus on gaining a better understanding of the underlying physical mechanisms responsible for noise reduction with the porous plugs relative to corresponding solid plugs.

computational fluid dynamics↗

Investigation of Physical Mechanisms for Jet Noise Reduction by Plug Nozzle Porosity

This paper presents the results of a computational study on porous-plug nozzles for their eventual application in reducing takeoff noise levels for supersonic civil transport. The study explores a wide range of porous-plug geometries, encompassing variations in hole size, plug length and porosity. Computational fluid dynamics (CFD) analyses are employed in concert with an advanced automated mesh refinement (AMR) scheme, Sketch-to-Solution (S2S), to investigate porous plug nozzle design strategies that may diminish shock strength, broad-band shock noise (BBSN), flow separation, and other undesirable characteristics associated with high takeoff noise levels. A selected subset of the porous-plug nozzles that were analyzed computationally were manufactured at subscale using stereolithography 3D printing. These nozzles were tested experimentally, obtaining far-field noise spectral data and schlieren flow visualization pictures. Detailed comparisons between CFD predictions and experimental results were conducted. These comparisons focus on gaining a better understanding of the underlying physical mechanisms responsible for noise reduction with the porous plugs relative to corresponding solid plugs.

Nozzles↗

Homologous Ladder Cyclohexasilanes

Here, we report the synthesis of five new examples of ladder cyclohexasilanes, possessing up to three consecutive fused rings and differing in relative ring fusion configuration and side chain structure. By coupling a 1,4-dipotassiooligosilyl dianion to a cyclohexasilane, we obtained bi- and tricyclic ladder cyclohexasilanes. Combined experimental and theoretical studies suggested that annulation could favor the cis configuration under kinetic control, while the trans configuration predominates under thermodynamic control. Computational studies show that with each additional ring in the trans-diastereomeric series, the predicted onset of light absorption shifts to longer wavelengths.

36 MATERIALS SCIENCE↗

Computers in neutron science

Abstract Neutron scattering provides a sensitive probe for materials structure and dynamics and has had a profound impact on research ranging from quantum topological materials to archaeology to aerospace alloys. These experiments are incredibly data-rich and often challenging to interpret. Computational studies have been integral in the growing success of neutron science. From data collection and reduction to analysis and interpretation, computers are used at every stage of modern neutron experiments. State-of-the-art software allows for a deeper understanding of these powerful unique experiments. This themed issue, guest-edited by Dr. Jeff Armstrong, Dr. Keith T Butler, and Dr. Matthew R Ryder, brings together a collection of research highlighting the state-of-the-art in the application of computers in neutron science.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Verification Assessment of Flow Boundary Conditions for CFD Analysis of Supersonic Inlet Flows

Boundary conditions for subsonic inflow, bleed, and subsonic outflow as implemented into the WIND CFD code are assessed with respect to verification for steady and unsteady flows associated with supersonic inlets. Verification procedures include grid convergence studies and comparisons to analytical data. The objective is to examine errors, limitations, capabilities, and behavior of the boundary conditions. Computational studies were performed on configurations derived from a "parameterized" supersonic inlet. These include steady supersonic flows with normal and oblique shocks, steady subsonic flow in a diffuser, and unsteady flow with the propagation and reflection of an acoustic disturbance.

Slater, John W.↗

Global Sensitivity Analysis Using the Ultra‐Low Resolution Energy Exascale Earth System Model

Abstract For decades, Arctic temperatures have increased twice as fast as average global temperatures. As a first step toward quantifying parametric uncertainty in Arctic climate, we performed a variance‐based global sensitivity analysis (GSA) using a fully coupled, ultra‐low resolution (ULR) configuration of version 1 of the U.S. Department of Energy's Energy Exascale Earth System Model (E3SMv1). Specifically, we quantified the sensitivity of six quantities of interests (QOIs), which characterize changes in Arctic climate over a 75 year period, to uncertainties in nine model parameters spanning the sea ice, atmosphere, and ocean components of E3SMv1. Sensitivity indices for each QOI were computed with a Gaussian process emulator using 139 random realizations of the random parameters and fixed preindustrial forcing. Uncertainties in the atmospheric parameters in the Cloud Layers Unified by Binormals (CLUBB) scheme were found to have the most impact on sea ice status and the larger Arctic climate. Our results demonstrate the importance of conducting sensitivity analyses with fully coupled climate models. The ULR configuration makes such studies computationally feasible today due to its low computational cost. When advances in computational power and modeling algorithms enable the tractable use of higher‐resolution models, our results will provide a baseline that can quantify the impact of model resolution on the accuracy of sensitivity indices. Moreover, the confidence intervals provided by our study, which we used to quantify the impact of the number of model evaluations on the accuracy of sensitivity estimates, have the potential to inform the computational resources needed for future sensitivity studies.

54 ENVIRONMENTAL SCIENCES↗

Large Eddy Simulation of Homogeneous Rotating Turbulence

Study of turbulent flows in rotating reference frames has proven to be one of the more challenging areas of turbulence research. The large number of theoretical, experimental, and computational studies performed over the years have demonstrated that the effect of solid-body rotation on turbulent flows is subtle and remains exceedingly difficult to predict. Because of the complexities associated with non-homogeneous turbulence, it is worthwhile to examine the effect of steady system rotation on the evolution of an initially isotropic turbulent flow. The assumption of statistical homogeneity considerably simplifies analysis and computation; calculation of homogeneous turbulence is further motivated since it possesses the essential physics found in more complex rotating flows. The principal objectives of the present study have therefore been to increase our fundamental understanding of turbulent flows in rotating reference frames through an examination of the asymptotic state of homogeneous rotating turbulence; particularly as to the existence of an asymptotic state which is self similar. Knowledge of an asymptotic similarity state permits prediction of the ultimate statistical evolution of the flow without requiring detailed knowledge of the complex, and not well understood, non-linear transfer processes. Aside from examination of possible similarity states in rotating turbulence, of further interest in this study has been an examination of the degree to which solid-body rotation induces a two-dimensional state in an initially isotropic flow.

Squires, Kyle D.↗

Th 2 O – , Th 2 Au – , and Th 2 AuO 1,2 – Anions: Photoelectron Spectroscopic and Computational Characterization of Energetics and Bonding

The observation and characterization of the anions: Th 2 O – , Th 2 Au – , and Th 2 AuO 1,2 – is reported. These species were studied through a synergetic combination of anion photoelectron spectroscopy and ab initio correlated molecular orbital theory calculations at the CCSD(T) level with large correlation-consistent basis sets. To better understand the energetics and bonding in these anions and their corresponding neutrals, a range of smaller diatomic to tetratomic species were studied computationally. Correlated molecular orbital theory calculations at the CCSD(T) level showed that in most of these cases, there are close-lying anions and neutral clusters with different geometries and spin states and are consistent with the experimentally observed spectra. Thus, comparison of experimentally determined and computationally predicted vertical detachment energies and electron affinities for different optimized geometries and spin states shows excellent agreement to within 0.1 eV. The structures for both the neutrals and anions have a significant ionic component to the bonding because of the large electron affinity of the Au atom and modest ionization potentials for Th 2 , Th 2 O, and Th 2 O 2 . The analysis of the bonding for the Th–Th bonds from the molecular orbitals is consistent with this ionic model. The results show that there is a wide variation in the bond distance from 2.7 to 3.5 Å for the Th–Th bonds all of which are less than twice the atomic radius of Th of 3.6 Å. The bond distances encompass bond orders from 4 to 0. Furthermore, there can be different bond orders for the same bond distance depending on the nature of the ionic bonding suggesting that one may not be able to correlate the bond order with the bond distance in these types of clusters. In addition, the presence of an Au atom may provide a unique probe of the bonding in such clusters because of its ability to accept an electron from clusters with modest ionization potentials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mixing of Multiple Jets With a Confined Subsonic Crossflow

Results from a recently completed enhanced mixing program are summarized in the two technical papers. These studies were parts of a High Speed Research (HSR)-supported joint Government/industry/university program that involved, in addition to the NASA Lewis Research Center, researchers at United Technologies Research Center, Allison Engine Company, CFD Research Corporation, and the University of California, Irvine. The studies investigated the mixing of jets injected normal to a confined subsonic mainsteam in both rectangular and cylindrical ducts. Experimental and computational studies were performed in both nonreacting and reacting flows. The orifice geometries and flow conditions were selected as typical of the complex three-dimensional flows in the combustion chambers in low-emission gas turbine engines. The principal conclusion from both the experiments and modeling was that the momentum-flux ratio J and orifice spacing S/H were the most significant flow and geometry variables, respectively. Conserved scalar distributions were similar-independent of reaction, orifice diameter H/d, and shape-when the orifice spacing and the square root of the momentum-flux ratio were inversely proportional. Jet penetration was critical, and penetration decreased as either momentum-flux ratio or orifice spacing decreased. We found that planar averages must be considered in context with the distributions. The mass-flow ratios and the orifices investigated were often very large. The jet-to-mainstream mass-flow ratio was varied from significantly less than 1 to greater than 1. The orifice-area to mainstream-cross-sectional-area was varied from approx. 0 to 0.5, and the axial planes of interest were often just downstream of the orifice trailing edge. Three-dimensional flow was a key part of efficient mixing and was observed for all configurations. As an example of the results, the accompanying figure shows the effects of different rates of mass addition on the opposite walls of a rectangular duct.

Holdeman, James D.↗

Recent Advancements in Modeling and Simulation of Entry Systems at NASA

This paper describes recent development of modeling and simulation technologies for entry systems in support of NASA's exploration missions. Mission-tailored research and development in modeling of entry systems occurs across the Agency (e.g., within the Orion and Mars 2020 Programs), however the aim of this paper is to discuss the broad, cross-mission research conducted by NASA's Entry Systems Modeling (ESM) Project, which serves as the Agency's only concerted effort toward advancing entry systems across a range of technical disciplines. Technology development in ESM is organized and prioritized from a system-level perspective, resulting in four broad technical areas of investment: (1) Predictive material modeling, (2) Shock layer kinetics and radiation, (3) Computational and experimental aerosciences, and (4) Guidance, navigation, and control. Investments in thermal protection material modeling are geared toward high-fidelity, predictive models capable of handling complex structures, with an eye toward optimizing design performance and quantifying thermal protection system reliability. New computational tools have been developed to characterize material properties and behavior at the microstructural level, and experimental techniques (molecular beam scattering, micro-computed tomography, among others) have been developed to measure material kinetics, morphology, and other parameters needed to inform and validate detailed simulations. Advancements have also been made in macrostructural simulation capability to enable 3-D system-scale calculations of material response with complex topological features, including differential recession of tile gaps. Research and development in the area of shock layer kinetics has focused on air and CO2-based atmospheres. Capacity and capability of the NASA Ames Electric Arc Shock Tube (EAST) have been expanded in recent years and analysis of resulting data has led to several improvements in kinetic models, while simultaneously reducing uncertainties associated with radiative heat transfer predictions. First-principles calculations of fundamental kinetic, thermodynamic, and transport data, along with state-specific models for non-equilibrium flow regimes, have also yielded new insights and have the potential to vastly improve model fidelity. Aerosciences is a very broad area of interest in entry systems, yet a number of important challenges are being addressed: Coupled fluid-structure simulations of parachute inflation and dynamics; Experimental and computational studies of vehicle dynamics; Multi-phase flow with dust particles to simulate entry environments at Mars during dust storms; Studies of roughness-induced heating augmentation relevant to tiled and woven thermal protection systems; and Advanced numerical methods to optimize computational analyses for desired accuracy versus cost. Guidance and control in the context of entry systems has focused on development of methods for multi-axis control (i.e. pitch and yaw, rather than bank angle alone) of spacecraft during entry and descent. With precision landing requirements driven by Mars human exploration goals, recent efforts have yielded 6-DOF models of multi-axis control with propulsive descent of both inflatable and rigid ellipsled-like architectures.

Barnhardt, Michael D.↗

Recent Advancements in Modeling and Simulation of Entry Systems at NASA

This paper describes recent development of modeling and simulation technologies for entry systems in support of NASA’s exploration missions. Mission-tailored research and development in modeling of entry systems occurs across the Agency (e.g., within the Orion and Mars 2020 Programs), however the aim of this paper is to discuss the broad, cross-mission research conducted by NASA’s Entry Systems Modeling (ESM) Project, which serves as the Agency’s only concerted effort toward advancing entry systems across a range of technical disciplines. Technology development in ESM is organized and prioritized from a system-level perspective, resulting in four broad technical areas of investment: (1) Predictive material modeling, (2) Shock layer kinetics and radiation, (3) Computational and experimental aerosciences, and (4) Guidance, navigation, and control. Investments in thermal protection material modeling are geared toward high-fidelity, predictive models capable of handling complex structures, with an eye toward optimizing design performance and quantifying thermal protection system reliability. New computational tools have been developed to characterize material properties and behavior at the microstructural level, and experimental techniques (molecular beam scattering, micro-computed tomography, among others) have been developed to measure material kinetics, morphology, and other parameters needed to inform and validate detailed simulations. Advancements have also been made in macrostructural simulation capability to enable 3-D system-scale calculations of material response with complex topological features, including differential recession of tile gaps. Research and development in the area of shock layer kinetics has focused on air and CO2-based atmospheres. Capacity and capability of the NASA Ames Electric Arc Shock Tube (EAST) have been expanded in recent years and analysis of resulting data has led to several improvements in kinetic models, while simultaneously reducing uncertainties associated with radiative heat transfer predictions. First-principles calculations of fundamental kinetic, thermodynamic, and transport data, along with state-specificmodels for non-equilibrium flow regimes, have also yielded new insights and have the potential to vastly improve model fidelity. Aerosciences is a very broad area of interest in entry systems, yet a number of important challenges are being addressed: Coupled fluid-structure simulations of parachute inflation and dynamics; Experimental and computational studies of vehicle dynamics; Multi-phase flow with dust particles to simulate entry environments at Mars during dust storms; Studies of roughness-induced heating augmentation relevant to tiled and woven thermal protection systems; and Advanced numerical methods to optimize computational analyses for desired accuracy versus cost. Guidance and control in the context of entry systems has focused on development of methods for multi-axis control (i.e. pitch and yaw, rather than bank angle alone) of spacecraft during entry and descent. With precision landing requirements driven by Mars human exploration goals, recent efforts have yielded 6-DOF models of multi-axis control with propulsive descent of both inflatable and rigid ellipsled-like architectures. Results for both configurations have demonstrated the ability to land within the 50-meter precision requirement demanded by Mars human exploration missions, while also reducing propellant requirements by enabling more efficient control through entry and descent. Ongoing research in GN&C is developing mechanical specifications for the systems and establishing engineering feasibility.

aerothermodynamics↗

Winglet effectiveness on low aspect ratio wings at supersonic Mach numbers

A computational study has been conducted on two wings of aspect ratios 1.244 and 1.865, each having 65-deg leading edge sweep angles, to determine the effects of nonplanar winglets at supersonic Mach numbers. A design Mach number of 1.62 was selected. The winglets studied were parametrically varied in alignment, length, sweep, camber, and thickness to determine the effects of winglet geometry on predicted performance. For the computational analysis, an existing Euler code that employed a marching technique was used. The results indicated that the possibility existed for wing-winglet geometries to equal the performance of wing-alone bodies in supersonic flows with both bodies having the same semispan length. The performance parameters of main interest were the lift-to-pressure drag ratio and the pressure drag coefficient as functions of lift coefficient. The lift coefficient range for this study was from -0.20 to 0.70 with emphasis on the range of 0.10 to 0.22.

Keenan, J. A.↗

A Combined DFT, Energy Decomposition, and Data Analysis Approach to Investigate the Relationship Between Noncovalent Interactions and Selectivity in a Flexible DABCOnium/Chiral Anion Catalyst System

Developing strategies to study reactivity and selectivity in flexible catalyst systems has become an important topic of research. Herein, we report a combined experimental and computational study aimed at understanding the mechanistic role of an achiral DABCOnium cofactor in a regio- and enantiodivergent bromocyclization reaction. In this study, it was found that electron-deficient aryl substituents enable rigidified transition states via an anion–π interaction with the catalyst, which drives the selectivity of the reaction. In contrast, electron-rich aryl groups on the DABCOnium result in significantly more flexible transition states, where interactions between the catalyst and substrate are more important. An analysis of not only the lowest-energy transition state structures but also an ensemble of low-energy transition state conformers via energy decomposition analysis and machine learning was crucial to revealing the dominant noncovalent interactions responsible for observed changes in selectivity in this flexible system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Navier-Stokes Simulation of the Canard-Wing-Body Longitudinal Dynamic Stability Characteristics

Many modern aircraft are canard-configured for aircraft control and improved aerodynamic performance. Canards can often enhance aircraft cruise performance, maneuverability and agility. For close-coupled canard configurations, the aerodynamic interaction between the canard and wing significantly changes the flow characteristics of the wing. In unsteady flow, such changes in the flow structure and performance of wings can be quite pronounced. Accurate modeling of the unsteady aerodynamics is essential for potential CFD design and analysis of such configurations. A time-accurate numerical simulation is performed to study the unsteady aerodynamic interaction between a canard and wing with emphasis on the effects of the canard on the configuration's dynamic response characteristics. The thin-layer Reynolds-averaged Navier-Stokes Equations with various turbulence models are used in this study. Computations are made on a generic, analytically-defined, close-coupled canard-wing-body configuration which has been the subject of numerous previously published experimental studies during the 1970's to mid-80's. More recently, a series of steady-flow simulations has been performed and published by the author. In the current study, the configuration is given prescribed ramp and oscillatory motions in order to predict characteristics such as the damping-in-pitch and oscillatory longitudinal stability parameters. The current computations are made at high-subsonic and transonic Mach numbers, moderate angles-of- attack from -4 to 20 degrees, and at various pitch rates and reduced frequencies. Comparisons of pressures and integrated force quantities (e.g. lift, drag, pitching moment and selected dynamic parameters) are made with other published computational results and available experimental data. Results showing the unsteady effects of the canard on surface pressures, integrated forces, canard-wing vortex interaction and vortex breakdown will be presented.

Tu, Eugene L.↗

Design of Ru-Ni diatomic sites for efficient alkaline hydrogen oxidation

Anion exchange membrane fuel cells are limited by the slow kinetics of alkaline hydrogen oxidation reaction (HOR). Here, we establish HOR catalytic activities of single-atom and diatomic sites as a function of *H and *OH binding energies to screen the optimal active sites for the HOR. As a result, the Ru-Ni diatomic one is identified as the best active center. Guided by the theoretical finding, we subsequently synthesize a catalyst with Ru-Ni diatomic sites supported on N-doped porous carbon, which exhibits excellent catalytic activity, CO tolerance, and stability for alkaline HOR and is also superior to single-site counterparts. In situ scanning electrochemical microscopy study validates the HOR activity resulting from the Ru-Ni diatomic sites. Furthermore, in situ x-ray absorption spectroscopy and computational studies unveil a synergistic interaction between Ru and Ni to promote the molecular H 2 dissociation and strengthen OH adsorption at the diatomic sites, and thus enhance the kinetics of HOR.

25 ENERGY STORAGE↗

Computational Analysis of a Quiet Single-Main Rotor Helicopter for Air Taxi Operations

A computational study has been done on NASA’s quiet single-main rotor helicopter concept for urban air mobility using high-fidelity computational fluid dynamics, rotorcraft comprehensive analysis tools, and computational aeroacoustics. High-order accurate schemes, dual-time stepping, and the delayed detached-eddy simulation model have been employed. A loose-coupling approach between the flow solver and the rotorcraft comprehensive code is implemented to include vehicle trim and blade motions. Acoustic simulations based on the Ffowcs-Williams and Hawkings equations have been performed to compute the rotor noise. Different blade geometries and tip speeds are analyzed, and performance and acoustics results are compared. The vehicle has been simulated in hover and cruise, with flight conditions representative of an air taxi mission. The quiet single-main rotor helicopter is one of the conceptual designs intended to focus and guide NASA’s research activities in support of aircraft development for vertical take-off and landing air taxi operations.

ARMD↗