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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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An overview of Equation of State (EOS) theory, some relevant physics, experiments, computational methods, and the SESAME database will be presented. The goal will be to describe what types of data and modeling are required to make an EOS that typically spans up to ~10 9 GPa in pressure and 10 9 K in temperature.
Currently software engineers are the essential integrating factors tying several components together. The components consist of process, methods, computers, tools, support environments, and software engineers. The engineers today empower the tools versus the tools empowering the engineers. Some of the issues in software engineering are quality, managing the software engineering process, and productivity. A strategy to accomplish this is to promote the evolution of software engineering from an ad hoc, labor intensive activity to a managed, technology supported discipline. This strategy may be implemented by putting the process under management control, adopting appropriate methods, inserting the technology that provides automated support for the process and methods, collecting automated tools into an integrated environment and educating the personnel.
Research has been carried out on the computation of lifting wing-flap configurations. The long term goal of the research is to develop improved computational tools for the analysis and design of high lift systems. Results show that state-of-the-art computational methods are sufficient to predict time-averaged lift and overall flow field characteristics on simple high-lift configurations. Recently there has been an increased interest in the problem of airframe generated noise and experiments carried out in the 7 x 10 wind tunnel at NASA Ames have identified the flap edge as an important source of noise. A follow-on set of experiments will be conducted toward the end of 1995. The computations being carried out under this project are coordinated with these experiments. In particular, the model geometry being used in the computations is the same as that in the experiments. The geometry consists of a NACA 63-215 Mod B airfoil section which spans the 7 x lO tunnel. The wing is unswept and has an aspect ratio of two. A 30% chord Fowler flap is deployed modifications of the flap edge geometry have been shown to be effective in reducing noise and the existing code is currently being used to compute the effect of a modified geometry on the edge flow.
Compliance of member States to the Treaty on the Non-Proliferation of Nuclear Weapons is monitored through nuclear safeguards. The Passive Gamma Emission Tomography (PGET) system is a novel instrument developed within the framework of the International Atomic Energy Agency (IAEA) project JNT 1510, which included the European Commission, Finland, Hungary and Sweden. The PGET is used for the verification of spent nuclear fuel stored in water pools. Advanced image reconstruction techniques are crucial for obtaining high-quality cross-sectional images of the spent-fuel bundle to allow inspectors of the IAEA to monitor nuclear material and promptly identify its diversion. In this work, we have developed a software suite to accurately reconstruct the spent-fuel cross sectional image, automatically identify present fuel rods, and estimate their activity. Unique image reconstruction challenges are posed by the measurement of spent fuel, due to its high activity and the self-attenuation. While the former is mitigated by detector physical collimation, we implemented a linear forward model to model the detector responses to the fuel rods inside the PGET, to account for the latter. The image reconstruction is performed by solving a regularized linear inverse problem using the fast-iterative shrinkage-thresholding algorithm. We have also implemented the traditional filtered back projection (FBP) method based on the inverse Radon transform for comparison and applied both methods to reconstruct images of simulated mockup fuel assemblies. Higher image resolution and fewer reconstruction artifacts were obtained with the inverse-problem approach, with the mean-square-error reduced by 50%, and the structural-similarity improved by 200%. We then used a convolutional neural network (CNN) to automatically identify the bundle type and extract the pin locations from the images; the estimated activity levels finally being compared with the ground truth. The proposed computational methods accurately estimated the activity levels of the present pins, with an associated uncertainty of approximately 5%.
Cursory review of some recent work that has been done in turbine aerodynamic research. Topics discussed include the aerodynamic effect of turbine coolant, high work-factor (ratio of stage work to square of blade speed) turbines, and computer methods for turbine design and performance prediction. Experimental cooled-turbine aerodynamics programs using two-dimensional cascades, full annular cascades, and cold rotating turbine stage tests are discussed with some typical results presented. Analytically predicted results for cooled blade performance are compared to experimental results. The problems and some of the current programs associated with the use of very high work factors for fan-drive turbines of high-bypass-ratio engines are discussed. Computer programs have been developed for turbine design-point performance, off-design performance, supersonic blade profile design, and the calculation of channel velocities for subsonic and transonic flowfields. The use of these programs for the design and analysis of axial and radial turbines is discussed.
Advanced finite-element discretizations and preconditioners for models of poroelasticity have attracted significant attention in recent years. The equations of poroelasticity offer significant challenges in both areas, due to the potentially strong coupling between unknowns in the system, saddle-point structure, and the need to account for wide ranges of parameter values, including limiting behavior such as incompressible elasticity. This paper was motivated by an attempt to develop monolithic multigrid preconditioners for the discretization developed in [C. Rodrigo et al., Comput. Methods App. Mech. Engrg, 341 (2018), pp. 467--484]; we show here why this is a difficult task and, as a result, we modify the discretization in [Rodrigo et al.] through the use of a reduced-quadrature approximation, yielding a more “solver-friendly” discretization. Local Fourier analysis is used to optimize parameters in the resulting monolithic multigrid method, allowing a fair comparison between the performance and costs of methods based on Vanka and Braess--Sarazin relaxation. Further, numerical results are presented to validate the local Fourier analysis predictions and demonstrate efficiency of the algorithms. Finally, a comparison to existing block-factorization preconditioners is also given.
The present numerical method for the solution of unsteady, incompressible three-dimensional flow Navier-Stokes equations using velocity-vorticity variables and irregular Cartesian grids proceeds by solving: (1) equations of Cauchy-Riemann type for the velocity; and (2) transport-diffusion equations for the vorticity, whose solenoidal vorticity components are generated by a Poisson equation for an appropriate scalar potential. Iterations are used to solve the finite difference equations, facilitating the use of vector and parallel-computing methods; numerical experiments have verified the method's second-order spatial and temporal accuracy.
The Steel Equivalency Spreadsheet was created as a robust, user-friendly method for the following: 1. Determining if it is possible to image an object. 2. Reducing time needed when selecting equipment and preparing for field imaging activities. 3. Reducing the amount of equipment taken for field imaging activities. 4. Determining a starting point for exposure settings prior to imaging an object. 5. Reducing the amount of dose deposited to complete an imaging operation (in the spirit of As Low As Reasonably Achievable, ALARA). The spreadsheet was developed using various physical models to account for different phenomena. Future implementations aim to expand beyond the Digital Radiography and Computed Tomography Single Munition Scanner (DRCT SMS) in standard configuration to include high energy XRGs (Betatrons) and sub-MeV pulsed XRGs (XRS4). Alternative computational methods that compensate for incoherent scattering when calculating relative transmission are also being pursued. Ultimately the spreadsheet exceeded the developmental goal of having less than 10% average error when comparing calculations to real-world images.
The accurate first-principles description of strongly-correlated materials is an important and challenging problem in condensed matter physics. Ab initio downfolding has emerged as a way of deriving accurate many-body Hamiltonians including strong correlations, representing a subspace of interest of a material, using density functional theory calculations as a starting point. However, the solution of these material-specific models can scale exponentially on classical computers, constituting a challenge. Here we propose that utilizing quantum computers for obtaining the properties of downfolded Hamiltonians yields an accurate description of the ground state properties of strongly-correlated systems, while circumventing the exponential scaling problem. We benchmark the solution of Hubbard-like models obtained through downfolding by utilizing a classical tensor network implementation of variational quantum eigensolvers (VQE), and we reveal a strategy for driving the optimization through a hybrid minimization of the energy and maximization of the overlap with an approximate solution obtained through low-cost computational methods. This results in a reduction of the energy error by orders of magnitude compared to conventional VQE approaches, and allows us to reproduce long-range correlations for the first time. We demonstrate our first-principles approach for diverse strongly-correlated materials, correctly predicting the antiferromagnetic state of one-dimensional cuprate Ca 2 CuO 3 , the excitonic ground state of monolayer WTe2, and the charge-ordered state of correlated metal SrVO 3 . Our efficient computational implementation allows us to simulate large systems with up to 54 qubits and encompassing up to four correlated bands, which is indicative of the complexity that our framework can address.
A computational method which simulates transonic flow about wing-fuselage configurations has been extended to include the treatment of multiple body and non-planar wing surfaces. The finite difference relaxation scheme is characterized by a modified small disturbance flow equation and multiple embedded grid system. Wing-body combinations with as many as four nacelles/pods, four pylons, and wing-tip-mounted winglets can be analyzed. A scheme for modeling inlet spillage and engine exhaust interference effects has been included. Computed results are correlated with experimental data for three transport configurations.
A synergistic approach of combining computational methods and experimental measurements is used in the analysis of a hypersonic inlet. There are four major focal points within this study which examine the boundary layer growth on a compression ramp upstream of the cowl lip of a scramjet inlet. Initially, the boundary layer growth on the NASP Concept Demonstrator Engine (CDE) is examined. The follow-up study determines the optimum diverter height required by the SSTO Flowpath test to best duplicate the CDE results. These flow field computations are then compared to the experimental measurements and the mass average Mach number is determined for this inlet.
Polynomial chaos expansions (PCE) provide an efficient approach to uncertainty quantification (UQ) and have been adapted to diverse applications across the spectrum of science and engineering. For situations involving large stochastic parameterizations, the curse of dimensionality renders PCE-based methods computationally prohibitive. A basis adaptation approach for PCE was proposed by Tipireddy and Ghanem (2014) which transforms the input random variables through an isometry such that sufficient probabilistic characterization of specific quantities of interest (QoI) is concentrated in an algebraic manifold embedded in the linear span of the dominant transformed variables. While quite versatile, that original version of the PCE basis adaptation exhibited slow convergence for a number of problems of practical significance. In the present paper, we propose two novel methods to accelerate the convergence of the original basis adaptation approach, thus expanding its reach while also providing insight into its performance. In the first method, information gained from a pilot PCE representation is used to correct the mean and Gaussian coefficients in the adapted space. By taking advantages of probabilistic information in higher dimensional adaptation gleaned from an initial adaptation, the second method updates the rotation matrix used to identify the dominant transformed variables. In this manner, the new rotation matrix concentrates even more probabilistic information in its first few dimensions. These two method can be combined to achieve even better performance, the combined method is referred to as sequentially optimized adaptation method. Here, the methods are demonstrated on an analytical test function and a model of a space structure with several sub-components and a non-smooth quantity of interest representing the maximum acceleration over time. Both methods achieve accelerated convergence of the basis adaptation approach with negligible additional costs.
Hydrogen transfer is a critical component of many chemical and biological processes. The ratio of rate constants for hydrogen and deuterium transfer defines the H/D kinetic isotope effect (KIE), which is a powerful tool for elucidating hydrogen transfer mechanisms. Interpretation of experimental H/D KIEs relies on accurate and affordable computational methods. However, due to their light mass, hydrogen and deuterium can undergo tunneling, which is challenging to describe in multidimensional molecular systems. Herein, we introduce the nuclear–electronic orbital general rate theory (NEO-GRT), which enables the efficient prediction of H/D KIEs based on full-dimensional molecular quantum chemistry calculations. The NEO-GRT approach describes the hydrogen transfer rate constant with a general expression that spans the vibrationally adiabatic and nonadiabatic hydrogen tunneling regimes. The input quantities are computed using NEO density functional theory, which treats the transferring hydrogen or deuterium nucleus quantum mechanically on the same level as the electrons. We investigate two intramolecular proton transfer reactions in organic molecules at temperatures down to 50 K to evaluate the performance of NEO-GRT by comparison to transition state theory and ring-polymer instanton theory. The KIEs computed with NEO-GRT agree with those calculated using ring-polymer instanton theory for the full-dimensional molecular systems at the same level of electronic structure theory. This agreement indicates that NEO-GRT captures the deep hydrogen tunneling effects, in contrast to transition state theory, which neglects such effects. Given its relatively low computational cost, NEO-GRT is a promising approach for predicting H/D KIEs in large organic and organometallic systems.
A method for estimating the cloud effect on remote sensing is described, and it is applied to cloudiness in several climatological conditions. The algorithm is based on the Haurwitz (1948) measurements of the cloud layer transmission of solar radiation for an overcast sky and on an empirical interpolation of data for broken cloudiness by Pochop et al. (1968). Radiances for a sunny area observed directly from space and through a cloud, and for a shady area observed from space and through a cloud are computed. Methods for detecting the cloud effect from satellite images are discussed. The relation between cloud reflectance and cloud size is studied. It is observed that the subpixel clouds affect the detected radiance and vegetation index, and the effect depends on the cloud types and the dependence of the cloud transmissivity on cloud fraction. Procedures for decreasing or eliminating cloud effect are examined.
Monte Carlo relaxation method for physically self consistent model stellar atmospheres, discussing stability, accuracy and convergence of solution
This paper describes a preconditioned conjugate gradient method that can be effectively implemented on both vector machines and parallel arrays to solve sparse symmetric and positive definite systems of linear equations. The implementation on the CYBER 203/205 and on the Finite Element Machine is discussed and results obtained using the method on these machines are given.
The basic purpose of this research has been to develop a fundamental understanding of the effects of blade-to-blade dissimilarities, or mistuning, on the dynamics of nearly cyclic bladed-disk assemblies. This topic is of importance as mistuning has been shown to increase the forced response amplitudes of some blades significantly, and even to lead to blade failure. Furthermore, the current trend toward high performance propulsion turbomachinery designed for finite service life demands an accurate prediction of system performance and dynamics at the design stage. This objective has been achieved by carrying out the following tasks. First, the investigation of the free and forced responses of representative, yet sufficiently simple blade assembly models that capture all the important characteristics of typical turbomachinery rotors. Second, the development of computational methods that predict the effects of mistuning in a systematic and reliable way, along with the development of a systematic reduced-order modeling procedure for mistuned bladed disks. Third, the application of these findings and the tools developed to an industrial rotor, namely the first stage of turbine blades of the oxidizer turbopump in the space shuttle main rocket engine (SSME). The research supported by NASA has led to the development of a coherent theory for mistuned blade assemblies. The further implementation of these computational tools into the forced response prediction system currently under development in the Structural Dynamics Branch-FREPS-would enable the designer and the analyst to: (1) identify types of blade assemblies highly sensitive to mistuning in various frequency and other parameter ranges and (2) characterize mistuning effects on their forced response by predicting true response amplitudes and fatigue life estimates.
The basic purpose of this research has been to develop a fundamental understanding of the effects of blade-to-blade dissimilarities, or mistuning, on the dynamics of nearly cyclic bladed-disk assemblies. This topic is of importance as mistuning has been shown to increase the forced response amplitudes of some blades significantly, and even to lead to blade failure. Furthermore, the current trend toward high performance propulsion turbomachinery designed for finite service life demands an accurate prediction of system performance and dynamics at the design stage. This objective has been achieved by carrying out the following tasks. First, the investigation of the free and forced responses of representative, yet sufficiently simple blade assembly models that capture all the important characteristics of typical turbomachinery rotors. Second, the development of computational methods that predict the effects of mistuning in a systematic and reliable way, along with the development, of a systematic reduced-order modeling procedure for mistuned bladed disks. Third, the application of these findings and the tools developed to an industrial rotor, namely the first stage of turbine blades of the oxidizer turbopump in the space shuttle main rocket engine (SSME). The research supported by NASA has led to the development of a coherent theory for mistuned blade assemblies. The further implementation of these computational tools into the forced response prediction system currently under development in the Structural Dynamics Branch Forced Response Prediction System (FREPS) would enable the designer and the analyst (1) to identify types of blade assemblies highly sensitive to mistuning in various frequency and other parameter ranges and (2), to characterize mistuning effects on their forced response by predicting true response amplitudes and fatigue life estimates.