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NASA NTRS1992

Hi-alpha forebody design. Part 1: Methodology base and initial parametrics

The use of Computational Fluid Dynamics (CFD) has been investigated for the analysis and design of aircraft forebodies at high angle of attack combined with sideslip. The results of the investigation show that CFD has reached a level of development where computational methods can be used for high angle of attack aerodynamic design. The classic wind tunnel experiment for the F-5A forebody directional stability has been reproduced computationally over an angle of attack range from 10 degrees to 45 degrees, and good agreement with experimental data was obtained. Computations have also been made at combined angle of attack and sideslip over a chine forebody, demonstrating the qualitative features of the flow, although not producing good agreement with measured experimental pressure distributions. The computations were performed using the code known as cfl3D for both the Euler equations and the Reynolds equations using a form of the Baldwin-Lomax turbulence model. To study the relation between forebody shape and directional stability characteristics, a generic parametric forebody model has been defined which provides a simple analytic math model with flexibility to capture the key shape characteristics of the entire range of forebodies of interest, including chines.

Mason, William H.↗

NASA NTRSDate not supplied

Efficient Basis Derivatives Evaluations for High-order Discontinuous Galerkin Schemes

Computational methods of evaluating a basis of Lagrange polynomials are developed for the purpose of implementing efficient discontinuous Galerkin conservation laws solvers. Special attention is payed to the computation of higher-order partial derivatives which may be required for certain applications. Two different approaches are considered; one involves hardcoding explicit one-line formulae into the source code in order to make it as simple as possible, whereas the other uses algorithms designed to minimize the asymptotic order of growth with respect to the order of the scheme. Timing experiments show that either approach can perform well if implemented effectively, and identify advantages and disadvantages of each.

Micaiah Smith-Pierce↗

DOE OSTI2025

Modeling Electrodeposition in 3D Porous Architectures for Solid-State Li-Metal Batteries

Li-metal storage in three-dimensional (3D) electrodes is considered a potential dendrite-mitigation strategy. The large surface area and high porosity of these electrodes result in reduced local Li-plating current densities. The porous topology provides a scaffold for Li-deposition and stripping, maintaining both mechanical integrity and Li accessibility. The goal of this study is to understand how characteristics, such as geometry and material properties, affect the current distribution and deposition pattern. To this end, we developed a computational method to track material growth driven by electrodeposition within a complex geometry. This method ensures that the finite-element discretization remains conforming to the moving boundary while preserving an adequate mesh quality, and thus maintains solution accuracy. Using this new computational tool, we analyze the conditions under which porous anode architectures effectively expand the surface area of the charge-transfer interface, and self-regulate current density and dendrite growth.

3D electrode architectures↗

NASA NTRS1978

Estimation of leading-edge thrust for supersonic wings of arbitrary planform

A numerical method for the estimation of leading edge thrust for supersonic wings of arbitrary planform was developed and was programmed as an extension to an existing high speed digital computer method for prediction of wing pressure distributions. The accuracy of the method was assessed by comparison with linearized theory results for a series of flat delta wings. Application of the method to wings of arbitrary planform, both flat and cambered, is illustrated in several examples.

Carlson, H. W.↗

DOE OSTI2025

Micrometer: Micromechanics transformer for predicting full field mechanical responses of heterogeneous materials

Predicting mechanical responses of heterogeneous materials across scales remains a significant challenge. Traditional computational methods often struggle with complex and multiscale nature of these materials, limiting their effectiveness in real-world applications. Here, in this paper, we introduce Micrometer, a vision transformer based deep learning model designed to predict full field mechanical responses of heterogeneous materials, bridging the gap between computer vision and solid mechanics problems. We show that Micrometer, trained on a large-scale high-resolution dataset of 2D fiber-reinforced composites, can achieve state-of-the-art performance in predicting microscale strain fields across a wide range of material properties and loading conditions. Our model demonstrates accuracy and computational efficiency in applications such as computational homogenization and multiscale modeling, reducing computational time by up to two orders of magnitude compared to conventional numerical solvers while maintaining less than 1 % errors in predicting macroscale stress fields. Furthermore, we showcase Micrometer’s adaptability through transfer learning experiments on new materials with limited data, highlighting its potential to tackle diverse scenarios in computational solid mechanics. These results represent a significant step towards AI-driven innovation in materials science, addressing the limitations of traditional numerical methods and paving the way for more efficient simulations of heterogeneous materials across various industrial applications.

Composite materials↗

NASA NTRS1986

Detailed near-wake flowfield surveys with comparison to an Euler method of an aspect ratio 4 rectangular wing

An experimental investigation of the flowfield in the near-wake of an aspect ratio 4 rectangular wing was conducted, providing a complete detailed set of data for use in the validation of computational methods. An angle of attack of 8 degrees and two Reynolds numbers 530,000 and 391,000 were investigated using pitot and six-hole probes. In addition, two types of flow visualization were employed. The data presented includes contours of total pressure, mean velocity, flow angularity, and vorticity distribution data at five chordwise stations of the near-wake ranging from 0.167 to 5.00 chord lengths aft of the trailing edge. The experimental results were compared to the predicted results of a 2-D Euler numerical method. The results predicted by an Euler method failed to accurately define the flowfield. Tangential velocities remained relatively constant over the range of X/C considered though increased in angle of attack and Reynolds number did bring about corresponding increases. Axial velocities also increased with angle of attack and Reynolds number but showed greater sensitivity to increases in X/C. Graphic displays and contours of the total pressure data indicate that roll-up of the wing tip vortex is essentially complete one and one half chords downstream of the trailing edge.

Klinge, M. D.↗

DOE OSTI2024

Practical and Optimal Sequential Bayesian Experimental Design for Complex Systems Incorporating Human Experimenter Preferences (Final Scientific/Technical Report)

Experiments are indispensable for developing models of complex systems. Carefully designed experiments can provide substantial savings for these expensive data-acquisition opportunities. However, designs based on heuristics are often suboptimal for systems with multiphysics, nonlinear dynamics, and uncertain and noisy environments. Optimal experimental design, while leveraging predictive models, seeks to systematically quantify and maximize the value of experiments. In this project, we focused on the design of multiple experiments, where current approaches are largely suboptimal: batch-design does not adapt to new data acquired during the experiment campaign (no feedback), and greedy/myopic design ignores future dynamics and consequences (no lookahead). We developed the mathematical framework and computational methods for sequential optimal experimental design (sOED) for complex systems. We enabled tractable model-based sOED in a rigorous manner through novel algorithms based on reinforcement learning, and investigated the effects of human experimenters on the design process. Our methods are fully Bayesian, able to quantify and update uncertainty in a principled manner. The traits aimed by our approach—mathematical rigor and optimality, human effects and uncertainty quantification, computational practicality—are crucial for elevating the standards of artificial intelligence (AI) to support decision-making in scientific domains, and contribute toward trust and realistic adoption of AI in experimental design practice.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1974

Rapid finite-difference computation of subsonic and transonic aerodynamic flows

Rapid iterative (or semidirect) computation methods are developed for the finite-difference solution of the nonlinear equations of subsonic and transonic aerodynamics. At each iteration, a fast, direct elliptic algorithm solves the entire computation field. In an application to subsonic flow over a lifting airfoil, the full nonlinear stream-function equation is solved. Finally, a direct Cauchy-Riemann solver is used for the nonlinear transonic small-disturbance equations for a biconvex airfoil. At M = 0.7, t/c = 0.1 (subcritical), three iterations on a 39 x 32 mesh (totaling 2.45 sec on an IBM 360/67 computer) obtain convergence within 0.1%. A slightly supercritical case requires seven iterations (6.75 sec) for convergence within 1%.

Martin, E. D.↗

NASA NTRS1989

Computational design aspects of a NASP nozzle/afterbody experiment

This paper highlights the influence of computational methods on design of a wind tunnel experiment which generically models the nozzle/afterbody flow field of the proposed National Aerospace Plane. The rectangular slot nozzle plume flow field is computed using a three-dimensional, upwind, implicit Navier-Stokes solver. Freestream Mach numbers of 5.3, 7.3, and 10 are investigated. Two-dimensional parametric studies of various Mach numbers, pressure ratios, and ramp angles are used to help determine model loads and afterbody ramp angle and length. It was found that the center of pressure on the ramp occurs at nearly the same location for all ramp angles and test conditions computed. Also, to prevent air liquefaction, it is suggested that a helium-air mixture be used as the jet gas for the highest Mach number test case.

Ruffin, Stephen M.↗

NASA NTRS2003

Flutter and Divergence Analysis using the Generalized Aeroelastic Analysis Method

The Generalized Aeroelastic Analysis Method (GAAM) is applied to the analysis of three well-studied checkcases: restrained and unrestrained airfoil models, and a wing model. An eigenvalue iteration procedure is used for converging upon roots of the complex stability matrix. For the airfoil models, exact root loci are given which clearly illustrate the nature of the flutter and divergence instabilities. The singularities involved are enumerated, including an additional pole at the origin for the unrestrained airfoil case and the emergence of an additional pole on the positive real axis at the divergence speed for the restrained airfoil case. Inconsistencies and differences among published aeroelastic root loci and the new, exact results are discussed and resolved. The generalization of a Doublet Lattice Method computer code is described and the code is applied to the calculation of root loci for the wing model for incompressible and for subsonic flow conditions. The error introduced in the reduction of the singular integral equation underlying the unsteady lifting surface theory to a linear algebraic equation is discussed. Acknowledging this inherent error, the solutions of the algebraic equation by GAAM are termed 'exact.' The singularities of the problem are discussed and exponential series approximations used in the evaluation of the kernel function shown to introduce a dense collection of poles and zeroes on the negative real axis. Again, inconsistencies and differences among published aeroelastic root loci and the new 'exact' results are discussed and resolved. In all cases, aeroelastic flutter and divergence speeds and frequencies are in good agreement with published results. The GAAM solution procedure allows complete control over Mach number, velocity, density, and complex frequency. Thus all points on the computed root loci can be matched-point, consistent solutions without recourse to complex mode tracking logic or dataset interpolation, as in the k and p-k solution methods.

Edwards, John W.↗

DOE OSTI2021

Transforming ENERGY through Computational Excellence

Computational methods underpin advancing the science and engineering of energy efficiency, sustainable transportation, renewable power technologies, and developing a knowledge base to optimize energy systems. Researchers with access to enough computing, and the right type, can focus their ingenuity and creativity on addressing the energy challenges. NREL’s advanced computing influence spans several common themes across the Office of Energy Efficiency and Renewable Energy (EERE), including materials discovery, process modeling, fluid dynamics, resource mapping, and analysis of large-scale systems with real-time optimization.

advanced computing↗

NASA NTRS1995

Aerodynamic sound of flow past an airfoil

The long term objective of this project is to develop a computational method for predicting the noise of turbulence-airfoil interactions, particularly at the trailing edge. We seek to obtain the energy-containing features of the turbulent boundary layers and the near-wake using Navier-Stokes Simulation (LES or DNS), and then to calculate the far-field acoustic characteristics by means of acoustic analogy theories, using the simulation data as acoustic source functions. Two distinct types of noise can be emitted from airfoil trailing edges. The first, a tonal or narrowband sound caused by vortex shedding, is normally associated with blunt trailing edges, high angles of attack, or laminar flow airfoils. The second source is of broadband nature arising from the aeroacoustic scattering of turbulent eddies by the trailing edge. Due to its importance to airframe noise, rotor and propeller noise, etc., trailing edge noise has been the subject of extensive theoretical (e.g. Crighton & Leppington 1971; Howe 1978) as well as experimental investigations (e.g. Brooks & Hodgson 1981; Blake & Gershfeld 1988). A number of challenges exist concerning acoustic analogy based noise computations. These include the elimination of spurious sound caused by vortices crossing permeable computational boundaries in the wake, the treatment of noncompact source regions, and the accurate description of wave reflection by the solid surface and scattering near the edge. In addition, accurate turbulence statistics in the flow field are required for the evaluation of acoustic source functions. Major efforts to date have been focused on the first two challenges. To this end, a paradigm problem of laminar vortex shedding, generated by a two dimensional, uniform stream past a NACA0012 airfoil, is used to address the relevant numerical issues. Under the low Mach number approximation, the near-field flow quantities are obtained by solving the incompressible Navier-Stokes equations numerically at chord Reynolds number of 104. The far-field noise is computed using Curle's extension to the Lighthill analogy (Curle 1955). An effective method for separating the physical noise source from spurious boundary contributions is developed. This allows an accurate evaluation of the Reynolds stress volume quadrupoles, in addition to the more readily computable surface dipoles due to the unsteady lift and drag. The effect of noncompact source distribution on the far-field sound is assessed using an efficient integration scheme for the Curle integral, with full account of retarded-time variations. The numerical results confirm in quantitative terms that the far-field sound is dominated by the surface pressure dipoles at low Mach number. The techniques developed are applicable to a wide range of flows, including jets and mixing layers, where the Reynolds stress quadrupoles play a prominent or even dominant role in the overall sound generation.

Wang, Meng↗

DOE OSTI2023

LISE$^{++}_{cute}$, the latest generation of the LISE ++ package, to simulate rare isotope production with fragment-separators

The LISE ++ software for fragment separator simulations has undergone a major update. The package, widely used at rare isotope beam facilities, can be used to predict intensities and purities of rare isotope beams and for planning and running of experiments using in-flight separators. It is especially useful for radioactive beam production as its results can be quickly compared to on-line data. The LISE ++ package has been ported to the Qt-framework in order to support modern compilers and computing methods. The benefits include 64-bit operation and LISE ++ availability on three different platforms: Windows, MacOS and Linux. In addition, the porting provides the ability to take advantage of future computational improvements. The updated package is named LISE$^{++}_{cute}$ to indicate a major step forward from the previous Borland-based versions. In addition to porting to the new platform, new main features and modifications have been added, mostly devoted to improving models and implementing other codes involved in rare isotope production at FRIB. Finally, a summary of modifications completed to improve the functionality of the code are discussed in this work, as well as future plans.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1988

External store carriage loads prediction at transonic speeds

A computational method for prediction of external store carriage loads at transonic speeds is described. The geometric flexibility required for treatment of isolated and underwing, pylon-mounted stores is achieved by computing solutions on a five-level embedded grid arrangement. A completely automated grid generation procedure facilitates applications. Store modeling capability consists of bodies of revolution with multiple fore and aft fins. A body-conforming grid improves the accuracy of the computed store body flow field. A nonlinear finite difference relaxation scheme, developed specifically for modified transonic small disturbance flow equations, enhances numerical stability and accuracy. As a result, more accurate treatment of low aspect ratio, highly swept and tapered wing planforms is possible. A limited supersonic freestream capability is also provided. Pressure, load distribution, force and moment correlations show good agreement for several test cases.

Rosen, Bruce S.↗

DOE OSTI2021

Prediction of Solar Irradiance and Photovoltaic Solar Energy Product Based on Cloud Coverage Estimation Using Machine Learning Methods

Cloud cover estimation from images taken by sky-facing cameras can be an important input for analyzing current weather conditions and estimating photovoltaic power generation. The constant change in position, shape, and density of clouds, however, makes the development of a robust computational method for cloud cover estimation challenging. Accurately determining the edge of clouds and hence the separation between clouds and clear sky is difficult and often impossible. Toward determining cloud cover for estimating photovoltaic output, we propose using machine learning methods for cloud segmentation. We compare several methods including a classical regression model, deep learning methods, and boosting methods that combine results from the other machine learning models. To train each of the machine learning models with various sky conditions, we supplemented the existing Singapore whole sky imaging segmentation database with hazy and overcast images collected by a camera-equipped Waggle sensor node. We found that the U-Net architecture, one of the deep neural networks we utilized, segmented cloud pixels most accurately. However, the accuracy of segmenting cloud pixels did not guarantee high accuracy of estimating solar irradiance. We confirmed that the cloud cover ratio is directly related to solar irradiance. Additionally, we confirmed that solar irradiance and solar power output are closely related; hence, by predicting solar irradiance, we can estimate solar power output. This study demonstrates that sky-facing cameras with machine learning methods can be used to estimate solar power output. This ground-based approach provides an inexpensive way to understand solar irradiance and estimate production from photovoltaic solar facilities.

14 SOLAR ENERGY↗

DOE OSTI2022

Mechanistic insights into metal, nitrogen doped carbon catalysts for oxygen reduction: progress in computational modeling

We report metal and nitrogen doped carbon materials (denoted as M–N–C) synthesized through high-temperature pyrolysis have been found to exhibit activity for oxygen reduction reaction (ORR) approaching that of Pt and electrochemical stability higher than previous MN 4 -containing macrocyclic molecular catalysts. Tremendous efforts have thus been devoted to the advancement of M–N–C catalysts as an economical alternative to Pt-based catalysts for proton exchange membrane fuel cell cathodes with a focus on simultaneously improving activity and stability. To this end, novel computational modeling techniques have been developed and applied to acquire knowledge crucial for accelerating the pace of M–N–C catalyst development. In this review, recent progress in computational method development, as well as the predictions of chemical structure of active sites, reaction pathways, ORR kinetics, and catalyst stability in electrochemical environments, are critically surveyed. Moreover, the crucial role of computational modeling to elucidate the functional mechanism of M–N–C catalysts for ORR in acid media and enable rational design of M–N–C catalysts is discussed with a visionary outlook for the field.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

SPARTAN (Scalable Probabilistic Application Reconfigurable Tensor Autonomous Network)

The technical founder of Ludwig Computing Inc has been competitively selected for support by Cyclotron Road, a U.S. Department of Energy (DOE) Advanced Manufacturing Office (AMO) Lab-Embedded Entrepreneurship Program (LEEP) through an approved merit review process. Ludwig Computing Inc, supported by the U.S. Department of Energy's Advanced Manufacturing Office through the Cyclotron Road program, has investigated the advantages of probabilistic computing for real-world compute-intensive applications. This research adds to the understanding of alternative computing paradigms by exploring a unique hardware-software co-design that integrates quantum computing methods with nature-inspired problem-solving techniques. The project's focus on areas such as combinatorial optimization, graph analytics, and machine learning demonstrates the potential for significant advancements in computational efficiency and performance. By harnessing natural randomness to streamline large circuits into fewer devices, Ludwig's approach enables massive parallelism, potentially offering higher throughput, speed, and energy efficiency compared to conventional hardware solutions. This work benefits the public by paving the way for more efficient computing solutions that could address complex real-world problems while potentially reducing energy consumption in data-intensive industries.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1972

Thermodynamic models in cosmochemical systems.

Generalized computer methods are developed for inferring details of the formation of cosmochemical systems. Compositions of ideal gas mixtures existing in equilibrium with multicomponent solid and liquid phases are calculated. A comparison of computed results with experimental data is made for the ternary system MgO-FeO-SiO2. While the ideal-solution approximation is shown to be inaccurate in dealing with the silicate melts, the stable phases and compositions can be accurately calculated in a system where there are only solids and gas. A model system containing the elements H, O, Si, Mg, S, C, Cl, and F is investigated over a range of compositions involving the gas and ten solid phases, to show the power of the technique in dealing with complex gas-solid equilibria. Systems close to cosmic composition are next considered, both with and without iron.

Griffiths, P. R.↗