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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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DOE OSTI2016

Exploring the Performance of Spark for a Scientific Use Case

We present an evaluation of the performance of a Spark implementation of a classification algorithm in the domain of High Energy Physics (HEP). Spark is a general engine for in-memory, large-scale data processing, and is designed for applications where similar repeated analysis is performed on the same large data sets. Classification problems are one of the most common and critical data processing tasks across many domains. Many of these data processing tasks are both computation- and data-intensive, involving complex numerical computations employing extremely large data sets. We evaluated the performance of the Spark implementation on Cori, a NERSC resource, and compared the results to an untuned MPI implementation of the same algorithm. While the Spark implementation scaled well, it is not competitive in speed to our MPI implementation, even when using significantly greater computational resources.

Sehrish, Saba↗

NASA NTRS1982

Numerical Solution for Navier-Stokes Equations

Carefully selected blend of computational techniques solves complete set of equations for viscous, unsteady, hypersonic flow in general curvilinear coordinates. New algorithm has tested computation of axially directed flow about blunt body having shape similar to that of such practical bodies as wide-body aircraft or artillery shells. Method offers significant computational advantages because of conservation-law form of equations and because it reduces amount of metric data required.

Warsi, Z. U. A.↗

NASA NTRS1987

A bibliography on parallel and vector numerical algorithms

This is a bibliography of numerical methods. It also includes a number of other references on machine architecture, programming language, and other topics of interest to scientific computing. Certain conference proceedings and anthologies which have been published in book form are listed also.

Ortega, J. M.↗

NASA NTRS1988

A bibliography on parallel and vector numerical algorithms

This is a bibliography on numerical methods. It also includes a number of other references on machine architecture, programming language, and other topics of interest to scientific computing. Certain conference proceedings and anthologies which have been published in book form are also listed.

Ortega, James M.↗

NASA NTRS1990

A bibliography on parallel and vector numerical algorithms

Ortega, James M.↗

DOE OSTI2018

SIERRA Multimechanics Module: Aria Thermal Theory Manual - Version 4.50.

This document describes the theoretical foundation of thermal analysis in Sierra Mechanics. The SIERRA Multimechanics Module: Aria, henceforth referred to as Aria for brevity, was developed at Sandia National Laboratories under the ASC program, and approximates linear and nonlinear continuum models of heat transfer. Aria uses the SIERRA Framework, which provides data management services commonly required by computational mechanics software, and facilitates the development of coupled, multi-mechanics applications for massively parallel computers. The mathematical models in Aria are based heavily on those of COYOTE, a well-established thermal analysis program that was also developed at Sandia and its ASC code predecessor, Calore. Aria, Calore and COYOTE share a significant body of numerical methods, which are described in detail by Reddy and Gartling. Throughout this document, the terms software and implementation are synonymous with the Aria thermal-fluid analysis computer program. Whether one uses Aria to perform heat transfer analysis, or in developing a new capability for the Aria application, this document provides the information needed understand the existing numerical algorithm implementations. Justification for the fundamental assumptions of heat transfer, nor derivation of the energy conservation equations are included in this document. For a more thorough theoretical background, one is referred to one of the many available textbooks, e.g. Another reference, which is freely available in downloadable electronic form, is Lienhard and Lienhard.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1979

Simulation of three-dimensional compressible viscous flow on the Illiac IV computer

Complicated three-dimensional viscous transonic flows about bodies at high angles of attack are solved on the Illiac IV computer. It is shown that certain approximate forms of the compressible Reynolds-averaged Navier-Stokes equations can be computed about realistic three-dimensional geometries with relative ease on the Illiac IV. The ease and efficiency with which this can be done depend on the approximations made in the basic equations, the choice of the numerical algorithm used for the solution, and the data-base system that controls the data management and identifies and manipulates the vectors. A pencil data-base system is found to be particularly suitable for the approximations and numerical method chosen to produce the results presented. In addition, some comparisons are made of computer predictions with experimental results for various lows about hemisphere-cylinders in both subsonic and supersonic free streams. The same viscous model and numerical model are used, showing good qualitative agreement in the location of separation lines and pressure distributions.

Pulliam, T. H.↗

NASA NTRS1992

Multivariable frequency domain identification via 2-norm minimization

The author develops a computational approach to multivariable frequency domain identification, based on 2-norm minimization. In particular, a Gauss-Newton (GN) iteration is developed to minimize the 2-norm of the error between frequency domain data and a matrix fraction transfer function estimate. To improve the global performance of the optimization algorithm, the GN iteration is initialized using the solution to a particular sequentially reweighted least squares problem, denoted as the SK iteration. The least squares problems which arise from both the SK and GN iterations are shown to involve sparse matrices with identical block structure. A sparse matrix QR factorization method is developed to exploit the special block structure, and to efficiently compute the least squares solution. A numerical example involving the identification of a multiple-input multiple-output (MIMO) plant having 286 unknown parameters is given to illustrate the effectiveness of the algorithm.

Bayard, David S.↗

NASA NTRS1996

Theory and Computation of Optimal Low- and Medium- Thrust Orbit Transfers

This report presents new theoretical results which lead to new algorithms for the computation of fuel-optimal multiple-burn orbit transfers of low and medium thrust. Theoretical results introduced herein show how to add burns to an optimal trajectory and show that the traditional set of necessary conditions may be replaced with a much simpler set of equations. Numerical results are presented to demonstrate the utility of the theoretical results and the new algorithms. Two indirect methods from the literature are shown to be effective for the optimal orbit transfer problem with relatively small numbers of burns. These methods are the Minimizing Boundary Condition Method (MBCM) and BOUNDSCO. Both of these methods make use of the first-order necessary conditions exactly as derived by optimal control theory. Perturbations due to Earth's oblateness and atmospheric drag are considered. These perturbations are of greatest interest for transfers that take place between low Earth orbit altitudes and geosynchronous orbit altitudes. Example extremal solutions including these effects and computed by the aforementioned methods are presented. An investigation is also made into a suboptimal multiple-burn guidance scheme. The FORTRAN code developed for this study has been collected together in a package named ORBPACK. ORBPACK's user manual is provided as an appendix to this report.

Goodson, Troy D.↗

NASA NTRS2021

Solving Two-Equation Turbulence Models With a Perspective on Solving Transport Equations

There are three principal objectives of this report. The first objective is to investigate frequently used two-equation models when solving the RANS equations. In this study, we consider the 2006Wilcox and the 2003 Menter Shear Stress Transport (SST) models. Also, a simple change of the Wilcox model is introduced to improve computational predictions for transonic flows. Computations for flows over two different airfoils are examined to compare these turbulence models. Effects on modeling the physics of each flow due to variations in the models, such as using either strainrate or vorticity in the turbulence production term, are considered and discussed. The second objective of this report is to not only explore but also evaluate the performance of the solution algorithm for the mean flow and the transport equations. The RANS and turbulence modeling equations aresolved in a weakly coupled manner with a diagonal implicit Runge-Kutta (DIRK) solution algorithm. Throughout this report, emphasis is given to reducing the residuals to machine zero in all flow calculations, so as to eliminate the error due to numerical integration of the discrete governing equations. The final objective is to provide a perspective on solving transport equations for turbulence modeling. Aspects of solving such stiff systems of equations, as well as various numerical difficulties and possible techniques to overcome them, are considered. Discussion is also provided concerning what is called ’numerical compatibility’, which is an essential requirement when designing a solution algorithm for solving transport equations.

turbulence modeling↗

NASA NTRS1992

Development of a CFD code for internal flows in liquid fueled engines

To support the design efforts of engines in which liquid propellants are used, one is often required to analyze incompressible, two-dimensional or axisymmetric flows within ducts and cavities with rotating walls and complicated geometries. The steady-state solution is of interest in most cases. This code is intended to provide a tool for efficient computational fluid dynamics (CFD) analysis of such flow problems, taking advantage of the artificial compressibility concept and the Beam-Warming numerical scheme modified for second order accurate, implicit boundary conditions. These concepts ensure a stable, robust, and accurate algorithm due to the reduced speed of sound and the accuracy of the boundary conditions. The code is dedicated only to two-dimensional or axisymmetric flows with or without swirl. Three-dimensional computation is excluded to increase efficiency and speed. This paper briefly presents the theory of the code, as well as several benchmark applications with comparison to well known analytical solutions. In all these test cases, the code produced accurate results.

Dakhoul, Youssef↗

DOE OSTI2022

Online data-enabled predictive control

We develop an online data-enabled predictive (ODeePC) control method for optimal control of unknown systems, building on the recently proposed DeePC (Coulson et al., 2019). Our proposed ODeePC method leverages a primal-dual algorithm with real-time measurement feedback to iteratively compute the corresponding real-time optimal control policy as system conditions change. The proposed ODeePC conceptual-wise resembles standard adaptive system identification and model predictive control (MPC), but it provides a new alternative for the standard methods. ODeePC is enabled by computationally efficient methods that exploit the special structure of the Hankel matrices in the context of DeePC with Fast Fourier Transform (FFT) and primal-dual algorithm We provide theoretical guarantees regarding the asymptotic behavior of ODeePC, and we demonstrate its performance through numerical examples.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1973

Iterative methods for plasma sheath calculations: Application to spherical probe

The computer cost of a Poisson-Vlasov iteration procedure for the numerical solution of a steady-state collisionless plasma-sheath problem depends on: (1) the nature of the chosen iterative algorithm, (2) the position of the outer boundary of the grid, and (3) the nature of the boundary condition applied to simulate a condition at infinity (as in three-dimensional probe or satellite-wake problems). Two iterative algorithms, in conjunction with three types of boundary conditions, are analyzed theoretically and applied to the computation of current-voltage characteristics of a spherical electrostatic probe. The first algorithm was commonly used by physicists, and its computer costs depend primarily on the boundary conditions and are only slightly affected by the mesh interval. The second algorithm is not commonly used, and its costs depend primarily on the mesh interval and slightly on the boundary conditions.

Parker, L. W.↗

DOE OSTI2016

Bounding the solutions of parametric weakly coupled second-order semilinear parabolic partial differential equations

Here in this paper, two novel techniques for bounding the solutions of parametric weakly coupled second-order semilinear parabolic partial differential equations are developed. The first provides a theorem to construct interval bounds, while the second provides a theorem to construct lower bounds convex and upper bounds concave in the parameter. The convex/concave bounds can be significantly tighter than the interval bounds because of the wrapping effect suffered by interval analysis in dynamical systems. Both types of bounds are computationally cheap to construct, requiring solving auxiliary systems twice and four times larger than the original system, respectively. An illustrative numerical example of bound construction and use for deterministic global optimization within a simple serial branch-and-bound algorithm, implemented numerically using interval arithmetic and a generalization of McCormick's relaxation technique, is presented. Finally, problems within the important class of reaction-diffusion systems may be optimized with these tools.

42 ENGINEERING↗

DOE OSTI2021

Mixed precision s –step Lanczos and conjugate gradient algorithms

Compared to the classical Lanczos algorithm, the s-step Lanczos variant has the potential to improve performance by asymptotically decreasing the synchronization cost per iteration. However, this comes at a price; despite being mathematically equivalent, the s-step variant may behave quite differently in finite precision, potentially exhibiting greater loss of accuracy and slower convergence relative to the classical algorithm. It has previously been shown that the errors in the s-step version follow the same structure as the errors in the classical algorithm, but are amplified by a factor depending on the square of the condition number of the O(s)-dimensional Krylov bases computed in each outer loop. As the condition number of these s-step bases grows (in some cases very quickly) with s, this limits the s values that can be chosen and thus can limit the attainable performance. In this work, we show that if a select few computations in s-step Lanczos are performed in double the working precision, the error terms then depend only linearly on the conditioning of the s-step bases. This has the potential for drastically improving the numerical behavior of the algorithm with little impact on per-iteration performance. Our numerical experiments demonstrate the improved numerical behavior possible with the mixed precision approach, and also show that this improved behavior extends to mixed precision s-step CG. Here, we present preliminary performance results on NVIDIA V100 GPUs that show that the overhead of extra precision is minimal if one uses precisions implemented in hardware.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

A higher‐order unsplit 2D direct Eulerian finite volume method for two‐material compressible flows based on the MOOD paradigms

SUMMARY A higher‐order unsplit multi‐dimensional discretization of the diffuse interface model for two‐material compressible flows proposed by R. Saurel, F. Petitpas and R. A. Berry in 2009 is developed. The proposed higher‐order method is based on the concepts of the Multidimensional Optimal Order Detection (MOOD) method introduced in three recent papers for single‐material flows. The first‐order unsplit multi‐dimensional Finite Volume discretization presented by SPB serves as foundation for the development of the higher‐order unlimited schemes. Specific detection criteria along with a novel decrementing algorithm for the MOOD method are designed in order to deal with the complexity of multi‐material flows. Numerically, we compare errors and computational times on several 1D problems (stringent shock tube and cavitation problems) computed on 2D meshes with the second‐ and fourth‐order MOOD methods using a classical MUSCL method as reference. Several simulations of a 2D shocked R22 bubble in the air are also presented on Cartesian and unstructured meshes with the second‐ and fourth‐order MOOD methods, and qualitative comparisons confirm the conclusions obtained with 1D problems. These numerical results demonstrate the robustness of the MOOD approach and the interest of using more than second‐order methods even for locally singular solutions of complex physics models. Copyright © 2014 John Wiley & Sons, Ltd.

Diot, S.↗

DOE OSTI2024

Entanglement Renormalization for Quantum Field Theories with Discrete Wavelet Transforms

We propose an adaptation of Entanglement Renormalization for quantum field theories that, through the use of discrete wavelet transforms, strongly parallels the tensor network architecture of the Multiscale Entanglement Renormalization Ansatz (a.k.a. MERA). Our approach, called wMERA, has several advantages of over previous attempts to adapt MERA to continuum systems. In particular, (i) wMERA is formulated directly in position space, hence preserving the quasi-locality and sparsity of entanglers; and (ii) it enables a built-in RG flow in the implementation of real-time evolution and in computations of correlation functions, which is key for efficient numerical implementations. As examples, we describe in detail two concrete implementations of our wMERA algorithm for free scalar and fermionic theories in (1+1) spacetime dimensions. Possible avenues for constructing wMERAs for interacting field theories are also discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2011

Dispersion equation and eigenvalues for quantum wells using spectral parameter power series

We derive a dispersion equation for determining eigenvalues of inhomogeneous quantum wells in terms of spectral parameter power series and apply it for the numerical treatment of eigenvalue problems. The method is algorithmically simple and can be easily implemented using available routines of such environments for scientific computing as MATLAB.

97 MATHEMATICS AND COMPUTING↗