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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,585 records · Page 88
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

DCMIP2016: a review of non-hydrostatic dynamical core design and intercomparison of participating models

Abstract. Atmospheric dynamical cores are a fundamental component of global atmospheric modeling systems and are responsible for capturing the dynamical behavior of the Earth's atmosphere via numerical integration of the Navier–Stokes equations. These systems have existed in one form or another for over half of a century, with the earliest discretizations having now evolved into a complex ecosystem of algorithms and computational strategies. In essence, no two dynamical cores are alike, and their individual successes suggest that no perfect model exists. To better understand modern dynamical cores, this paper aims to provide a comprehensive review of 11 non-hydrostatic dynamical cores, drawn from modeling centers and groups that participated in the 2016 Dynamical Core Model Intercomparison Project (DCMIP) workshop and summer school. This review includes a choice of model grid, variable placement, vertical coordinate, prognostic equations, temporal discretization, and the diffusion, stabilization, filters, and fixers employed by each system.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1987

Optimal placement of excitations and sensors for verification of large dynamical systems

The computationally difficult problem of the optimal placement of excitations and sensors to maximize the observed measurements is studied within the framework of combinatorial optimization, and is solved numerically using a variation of the simulated annealing heuristic algorithm. Results of numerical experiments including a square plate and a 960 degrees-of-freedom Control of Flexible Structure (COFS) truss structure, are presented. Though the algorithm produces suboptimal solutions, its generality and simplicity allow the treatment of complex dynamical systems which would otherwise be difficult to handle.

Salama, M.↗
NASA NTRS1988

Numerical Arc Segmentation Algorithm for a Radio Conference-NASARC (version 4.0) technical manual

The information contained in the NASARC (Version 4.0) Technical Manual and NASARC (Version 4.0) User's Manual relates to the Numerical Arc Segmentation Algorithm for a Radio Conference (NASARC) software development through November 1, 1988. The Technical Manual describes the NASARC concept and the algorithms used to implement the concept. The User's Manual provides information on computer system considerations, installation instructions, description of input files, and program operation instructions. Significant revisions were incorporated in the Version 4.0 software over prior versions. These revisions have further enhanced the modeling capabilities of the NASARC procedure and provide improved arrangements of predetermined arcs within the geostationary orbits. Array dimensions within the software were structured to fit within the currently available 12 megabyte memory capacity of the International Frequency Registration Board (IFRB) computer facility. A piecewise approach to predetermined arc generation in NASARC (Version 4.0) allows worldwide planning problem scenarios to be accommodated within computer run time and memory constraints with enhanced likelihood and ease of solution.

Whyte, Wayne A., Jr.↗
NASA NTRS1988

Numerical Arc Segmentation Algorithm for a Radio Conference (NASARC), version 4.0: User's manual

The information in the NASARC (Version 4.0) Technical Manual (NASA-TM-101453) and NASARC (Version 4.0) User's Manual (NASA-TM-101454) relates to the state of Numerical Arc Segmentation Algorithm for a Radio Conference (NASARC) software development through November 1, 1988. The Technical Manual describes the NASARC concept and the algorithms used to implement the concept. The User's Manual provides information on computer system considerations, installation instructions, description of input files, and program operation instructions. Significant revisions were incorporated in the Version 4.0 software over prior versions. These revisions have further enhanced the modeling capabilities of the NASARC procedure and provide improved arrangements of predetermined arcs within the geostationary orbit. Array dimensions within the software were structured to fit within the currently available 12-megabyte memory capacity of the International Frequency Registration Board (IFRB) computer facility. A piecewise approach to predetermined arc generation in NASARC (Version 4.) allows worldwide planning problem scenarios to be accommodated within computer run time and memory constraints with enhanced likelihood and ease of solution.

Whyte, Wayne A., Jr.↗
NASA NTRS1991

Analysis and design of transonic airfoils using streamwise coordinates

A new approach is developed for analysis and design of transonic airfoils. A set of full potential equivalent equations in von Mises coordinates is formulated from the Euler equations under the irrotationality and isentropic assumptions. This set is composed of a main equation for the main variable, y, and a secondary equations for the secondary variable, R. The main equation is solved by type dependent differencing combined with a shock point operator. The secondary equation is solved by marching from a non-characteristic boundary. Sample computations on NACA 0012 and biconvex airfoils show that, for the analysis problem, the present approach achieves good agreement with experimental C sub p distributions. For the design problem, the approach leads to a simple numerical algorithm in which the airfoil contour is calculated as part of the flow field solution.

Barron, R. M.↗
NASA NTRS1992

A 3D finite element multigrid solver for the Euler equations

A low storage, computationally efficient algorithm for the solution of the compressible Euler equations on unstructured tetrahedral meshes is developed. The algorithm takes the form of a centered scheme with the explicit addition of a high accuracy artificial viscosity and the solution is advanced to steady state by means of a multistage timestepping method. The side-based data structure which is employed enables a clear connection to be established between the proposed algorithm and upwind cell vertex schemes for unstructured meshes. The computational efficiency of the procedure is improved by incorporating an unstructured multigrid acceleration procedure. A number of flows of practical interest are analyzed to demonstrate the numerical performance of the proposed approach.

Peraire, J.↗
NASA NTRS1992

The role of under-determined approximations in engineering and science application

There is currently a great deal of interest in using response surfaces in the optimization of aircraft performance. The objective function and/or constraint equations involved in these optimization problems may come from numerous disciplines such as structures, aerodynamics, environmental engineering, etc. In each of these disciplines, the mathematical complexity of the governing equations usually dictates that numerical results be obtained from large computer programs such as a finite element method program. Thus, when performing optimization studies, response surfaces are a convenient way of transferring information from the various disciplines to the optimization algorithm as opposed to bringing all the sundry computer programs together in a massive computer code. Response surfaces offer another advantage in the optimization of aircraft structures. A characteristic of these types of optimization problems is that evaluation of the objective function and response equations (referred to as a functional evaluation) can be very expensive in a computational sense. Because of the computational expense in obtaining functional evaluations, the present study was undertaken to investigate under-determinined approximations. An under-determined approximation is one in which there are fewer training pairs (pieces of information about a function) than there are undetermined parameters (coefficients or weights) associated with the approximation. Both polynomial approximations and neural net approximations were examined. Three main example problems were investigated: (1) a function of one design variable was considered; (2) a function of two design variables was considered; and (3) a 35 bar truss with 4 design variables was considered.

Carpenter, William C.↗
NASA NTRS1992

PNS predictions for supersonic/hypersonic flows over finned missile configurations

Finned missile design entails accurate and computationally fast numerical techniques for predicting viscous flows over complex lifting configurations at small to moderate angles of attack and over Mach 3 to 15; these flows are often characterized by strong embedded shocks, so that numerical algorithms are also required to capture embedded shocks. The recent real-gas Flux Vector Splitting technique is here extended to investigate the Mach 3 flow over a typical finned missile configuration with/without side fin deflections. Elliptic grid-generation techniques for Mach 15 flows are shown to be inadequate for Mach 3 flows over finned configurations and need to be modified. Fin-deflection studies indicate that even small amounts of missile fin deflection can substantially modify vehicle aerodynamics. This 3D parabolized Navier-Stokes scheme is also extended into an efficient embedded algorithm for studying small axially separated flow regions due to strong fin and control surface deflections.

Bhutta, Bilal A.↗
DOE OSTI2014

A spectral-Lagrangian Boltzmann solver for a multi-energy level gas

In this paper a spectral-Lagrangian method is proposed for the full, non-linear Boltzmann equation for a multi-energy level gas typical of a hypersonic re-entry flow. Internal energy levels are treated as separate species and inelastic collisions (leading to internal energy excitation and relaxation) are accounted for. The formulation developed can also be used for the case of a gas mixture made of monatomic gases without internal energy (where only elastic collisions occur). The advantage of the spectral-Lagrangian method lies in the generality of the algorithm in use for the evaluation of the elastic and inelastic collision operators, as well as the conservation of mass, momentum and energy during collisions. The latter is realized through the solution of constrained optimization problems. The computational procedure is based on the Fourier transform of the partial elastic and inelastic collision operators and exploits the fact that these can be written as weighted convolutions in Fourier space with no restriction on the cross-section model. The feasibility of the proposed approach is demonstrated through numerical examples for both space homogeneous and in-homogeneous problems. Computational results are compared with those obtained by means of the DSMC method in order to assess the accuracy of the proposed spectral-Lagrangian method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

V&V for turbulent mixing in the intermediate asymptotic regime

Turbulent fluid flow interacts nonlinearly with a number of processes, including reactive flow (chemistry), radiation, and the transport of particles embedded in the flow. Subgrid scale modeling of these nonlinear processes is a major challenge to computational science. To this end, turbulent mixing of dissimilar fluids is a driver. Here we study validation issues for a class of turbulent mixing simulations. In previous work, we have obtained agreement between simulation and experiment. The present paper addresses a remaining issue, the role of meniscus related boundary effects for immiscible fluids in the validation process. Validation and even verification has been controversial for turbulent mixing flows, as commonly used numerical models are diffusive and the resulting numerical diffusion modifies the parameters of the problem and its solution. Additionally, numerical diffusion of concentration and temperature is well documented in the scientific literature for Eulerian simulations. Lagrangian simulations, which might appear to avoid this problem, are subject to mesh tangling, ensuing regridding and use of Arbitrary Lagrangian Eulerian codes to substitute for a pure Lagrangian algorithm. In practice, Lagrangian methods are potentially subject to the same numerical diffusion issues when used to study complex interface instabilities.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1995

Improved Gaussian Beam-Scattering Algorithm

The localized model of the beam-shape coefficients for Gaussian beam-scattering theory by a spherical particle provides a great simplification in the numerical implementation of the theory. We derive an alternative form for the localized coefficients that is more convenient for computer computations and that provides physical insight into the details of the scattering process. We construct a FORTRAN program for Gaussian beam scattering with the localized model and compare its computer run time on a personal computer with that of a traditional Mie scattering program and with three other published methods for computing Gaussian beam scattering. We show that the analytical form of the beam-shape coefficients makes evident the fact that the excitation rate of morphology-dependent resonances is greatly enhanced for far off-axis incidence of the Gaussian beam.

Lock, James A.↗
NASA NTRS1991

Steady and unsteady solutions of the incompressible Navier-Stokes equations

An algorithm for the solution of the incompressible Navier-Stokes equations in three-dimensional generalized curvilinear coordinates is presented. The algorithm can be used to compute both steady-state and time-dependent flow problems. The algorithm is based on the method of artificial compressibility and uses a third-order flux-difference splitting technique for the convective terms and the second-order central difference for the viscous terms. The accuracy is obtained in the numerical solutions by subiterating the equations in pseudotime for each physical time step. The equations are solved with a line-relaxation scheme that allows the use of very large pseudotime steps leading to fast convergence for steady-state problems as well as for the subiterations of time-dependent problems. The steady-state solution of flow through a square duct with a 90-deg bend is computed, and the results are compared with experimental data. Good agreement is observed. Computations of unsteady flow over a circular cylinder are presented and compared to other experimental and computational results. Finally, the flow through an artificial heart configuration with moving boundaries is calculated and presented.

Rogers, Stuart E.↗
DOE OSTI2022

Monolithic Multigrid for a Reduced-Quadrature Discretization of Poroelasticity

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.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Machine learning in materials informatics: recent applications and prospects

Propelled partly by the Materials Genome Initiative, and partly by the algorithmic developments and the resounding successes of data-driven efforts in other domains, informatics strategies are beginning to take shape within materials science. These approaches lead to surrogate machine learning models that enable rapid predictions based purely on past data rather than by direct experimentation or by computations/simulations in which fundamental equations are explicitly solved. Data-centric informatics methods are becoming useful to determine material properties that are hard to measure or compute using traditional methods—due to the cost, time or effort involved—but for which reliable data either already exists or can be generated for at least a subset of the critical cases. Predictions are typically interpolative, involving fingerprinting a material numerically first, and then following a mapping (established via a learning algorithm) between the fingerprint and the property of interest. Fingerprints, also referred to as “descriptors”, may be of many types and scales, as dictated by the application domain and needs. Predictions may also be extrapolative—extending into new materials spaces—provided prediction uncertainties are properly taken into account. This article attempts to provide an overview of some of the recent successful data-driven “materials informatics” strategies undertaken in the last decade, with particular emphasis on the fingerprint or descriptor choices. The review also identifies some challenges the community is facing and those that should be overcome in the near future.

36 MATERIALS SCIENCE↗
DOE OSTI2025

An Early Investigation of the HHL Quantum Linear Solver for Scientific Applications

In this paper, we explore using the Harrow–Hassidim–Lloyd (HHL) algorithm to address scientific and engineering problems through quantum computing, utilizing the NWQSim simulation package on a high-performance computing platform. Focusing on domains such as power-grid management and climate projection, we demonstrate the correlations of the accuracy of quantum phase estimation, along with various properties of coefficient matrices, on the final solution and quantum resource cost in iterative and non-iterative numerical methods such as the Newton–Raphson method and finite difference method, as well as their impacts on quantum error correction costs using the Microsoft Azure Quantum resource estimator. We summarize the exponential resource cost from quantum phase estimation before and after quantum error correction and illustrate a potential way to reduce the demands on physical qubits. This work lays down a preliminary step for future investigations, urging a closer examination of quantum algorithms’ scalability and efficiency in domain applications.

hybrid software for QC-HPC↗
DOE OSTI2025

A randomized sketching trust-region secant method for low-memory dynamic optimization

The numerical solution of dynamic optimization problems is often limited by the memory required to store the state trajectory, which is used to evaluate the objective function and its derivatives. Recently, [R. Muthukumar et al., SIAM Journal on Optimization 31(2), pp. 1242–1275 (2021)] introduced a trust-region method for dynamic optimization that employs randomized sketching to compress the state trajectory, resulting in inexact derivative computations. By adaptively learning the sketch rank, the trust-region algorithm achieves rigorous convergence guarantees. Here, we extend this approach to use secant Hessian approximations. Due to the randomness introduced by the sketch, the traditional secant update formulae can produce poor Hessian approximations. In particular, the difference of two gradients, computed from two different sketches, may be inconsistent. To overcome this, we employ a sketched approximation of the Hessian application, in lieu of computing the gradient difference. We numerically demonstrate the improved stability of this approach on an example from PDE-constrained optimization.

dynamic optimization↗
NASA NTRS1976

An implicit finite-difference algorithm for hyperbolic systems in conservation-law form

An implicit finite-difference scheme is developed for the efficient numerical solution of nonlinear hyperbolic systems in conservation-law form. The algorithm is second-order time-accurate, noniterative, and in a spatially factored form. Second- or fourth-order central and second-order one-sided spatial differencing are accommodated within the solution of a block tridiagonal system of equations. Significant conceptual and computational simplifications are made for systems whose flux vectors are homogeneous functions (of degree one), e.g., the Eulerian gasdynamic equations. Conservative hybrid schemes, which switch from central to one-sided spatial differencing whenever the local characteristic speeds are of the same sign, are constructed to improve the resolution of weak solutions. Numerical solutions are presented for a nonlinear scalar model equation and the two-dimensional Eulerian gasdynamic equations.

Beam, R. M.↗
DOE OSTI2024

Machine Learning-Based Identification of the Interface Regions for Coupling Local and Nonlocal Models

Local-nonlocal coupling approaches provide a means to combine the computational efficiency of local models and the accuracy of nonlocal models. However, the coupling process can be challenging, requiring expertise to identify the interface between local and nonlocal regions. Here, this study introduces a machine learning-based approach to automatically detect the regions in which the local and nonlocal models should be used. The method uses loading functions evaluated at grid points to decide the model selection at those points. Training of the networks is based on datasets provided by classes of loading functions for which reference coupling configurations are computed using accurate coupled solutions, where accuracy is measured in terms of the relative error between the solution to the coupling approach and the solution to the nonlocal model. We study two approaches that vary in data structure. The first, the full-domain input data approach, uses the entire load vector and outputs a complete label vector, performing a global classification. The second, a window-based approach, processes loads into windows and addresses the problem as a node-wise classification where each window's central point is classified individually. The classification problems are solved via deep learning algorithms based on convolutional neural networks. The performance of these approaches is studied on one-dimensional numerical examples using F1-scores and accuracy metrics. Notably, the windowing approach achieves an accuracy of 0.96 and an F1-score of 0.97, highlighting its potential to automate coupling processes effectively and enhance computational efficiency in material science applications.

97 MATHEMATICS AND COMPUTING↗