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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

A partitioning strategy for nonuniform problems on multiprocessors

The partitioning of a problem on a domain with unequal work estimates in different subddomains is considered in a way that balances the work load across multiple processors. Such a problem arises for example in solving partial differential equations using an adaptive method that places extra grid points in certain subregions of the domain. A binary decomposition of the domain is used to partition it into rectangles requiring equal computational effort. The communication costs of mapping this partitioning onto different microprocessors: a mesh-connected array, a tree machine and a hypercube is then studied. The communication cost expressions can be used to determine the optimal depth of the above partitioning.

Berger, M. J.↗
NASA NTRS1985

Recent developments in FEM-CFD

The current status of CFD with regard to unstructured grids employing finite element methods and Eulerian frames is reviewed. Algorithms suitable for the computation of large three-dimensional problems involving flow past arbitrary geometries are developed. Adaptive mesh refinement strategy is reviewed, and domain splitting or local time-stepping are briefly addressed. The development of search algorithms of optimal order, variable time-stepping Jacobi smoothers for elliptic problems, and transport concepts for hyperbolics to help achieve good performance for unstructured multigrid processes is discussed. As examples, transient supersonic flow in a channel, regular shock reflection of a wall, viscous flow past a protruberance, potential flow past a cylinder, and Burgers equation are considered.

Loehner, R.↗
NASA NTRS1987

A partitioning strategy for nonuniform problems on multiprocessors

The partitioning of a problem on a domain with unequal work estimates in different subdomains is considered in a way that balances the work load across multiple processors. Such a problem arises for example in solving partial differential equations using an adaptive method that places extra grid points in certain subregions of the domain. A binary decomposition of the domain is used to partition it into rectangles requiring equal computational effort. The communication costs of mapping this partitioning onto different microprocessors: a mesh-connected array, a tree machine and a hypercube is then studied. The communication cost expressions can be used to determine the optimal depth of the above partitioning.

Berger, Marsha J.↗
NASA NTRS1996

Aerodynamic shape optimization using control theory

Aerodynamic shape design has long persisted as a difficult scientific challenge due its highly nonlinear flow physics and daunting geometric complexity. However, with the emergence of Computational Fluid Dynamics (CFD) it has become possible to make accurate predictions of flows which are not dominated by viscous effects. It is thus worthwhile to explore the extension of CFD methods for flow analysis to the treatment of aerodynamic shape design. Two new aerodynamic shape design methods are developed which combine existing CFD technology, optimal control theory, and numerical optimization techniques. Flow analysis methods for the potential flow equation and the Euler equations form the basis of the two respective design methods. In each case, optimal control theory is used to derive the adjoint differential equations, the solution of which provides the necessary gradient information to a numerical optimization method much more efficiently then by conventional finite differencing. Each technique uses a quasi-Newton numerical optimization algorithm to drive an aerodynamic objective function toward a minimum. An analytic grid perturbation method is developed to modify body fitted meshes to accommodate shape changes during the design process. Both Hicks-Henne perturbation functions and B-spline control points are explored as suitable design variables. The new methods prove to be computationally efficient and robust, and can be used for practical airfoil design including geometric and aerodynamic constraints. Objective functions are chosen to allow both inverse design to a target pressure distribution and wave drag minimization. Several design cases are presented for each method illustrating its practicality and efficiency. These include non-lifting and lifting airfoils operating at both subsonic and transonic conditions.

Reuther, James↗
NASA NTRS2012

Optimal Inlet Shape Design of N2B Hybrid Wing Body Configuration

The N2B hybrid wing body aircraft was conceptually designed to meet environmental and performance goals for the N+2 generation transport set by the Subsonic Fixed Wing project of NASA Fundamental Aeronautics Program. In the present study, flow simulations are conducted around the N2B configuration by a Reynolds-averaged Navier-Stokes flow solver using unstructured meshes. Boundary conditions at engine fan face and nozzle exhaust planes are provided by the NPSS thermodynamic engine cycle model. The flow simulations reveal challenging design issues arising from boundary layer ingestion offset inlet and airframe-propulsion integration. Adjoint-based optimal designs are then conducted for the inlet shape to minimize the airframe drag force and flow distortion at fan faces. Design surfaces are parameterized by NURBS, and the cowl lip geometry is modified by a spring analogy approach. By the drag minimization design, flow separation on the cowl surfaces are almost removed, and shock wave strength got remarkably reduced. For the distortion minimization design, a circumferential distortion indicator DPCP(sub avg) is adopted as the design objective and diffuser bottom and side wall surfaces are perturbed for the design. The distortion minimization results in a 12.5 % reduction in the objective function.

Kim, Hyoungjin↗
NASA NTRS1997

Aerodynamic Shape Sensitivity Analysis and Design Optimization of Complex Configurations Using Unstructured Grids

A three-dimensional unstructured grid approach to aerodynamic shape sensitivity analysis and design optimization has been developed and is extended to model geometrically complex configurations. The advantage of unstructured grids (when compared with a structured-grid approach) is their inherent ability to discretize irregularly shaped domains with greater efficiency and less effort. Hence, this approach is ideally suited for geometrically complex configurations of practical interest. In this work the nonlinear Euler equations are solved using an upwind, cell-centered, finite-volume scheme. The discrete, linearized systems which result from this scheme are solved iteratively by a preconditioned conjugate-gradient-like algorithm known as GMRES for the two-dimensional geometry and a Gauss-Seidel algorithm for the three-dimensional; similar procedures are used to solve the accompanying linear aerodynamic sensitivity equations in incremental iterative form. As shown, this particular form of the sensitivity equation makes large-scale gradient-based aerodynamic optimization possible by taking advantage of memory efficient methods to construct exact Jacobian matrix-vector products. Simple parameterization techniques are utilized for demonstrative purposes. Once the surface has been deformed, the unstructured grid is adapted by considering the mesh as a system of interconnected springs. Grid sensitivities are obtained by differentiating the surface parameterization and the grid adaptation algorithms with ADIFOR (which is an advanced automatic-differentiation software tool). To demonstrate the ability of this procedure to analyze and design complex configurations of practical interest, the sensitivity analysis and shape optimization has been performed for a two-dimensional high-lift multielement airfoil and for a three-dimensional Boeing 747-200 aircraft.

Taylor, Arthur C., III↗
DOE OSTI2025

HfZr_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys hafnium-zirconium (Hf-Zr). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP). Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Hf and Zr. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect bcc lattice cites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,100 randomized atomic structures over 31 chemical compositions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

HfTa_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys hafnium-tantalum (Hf-Ta). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP). Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Hf and Ta. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect BCC lattice sites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,040 randomized atomic structures over 31 chemical compositions. Further methodological and structural information is contained in the dataset README.txt file.

36 MATERIALS SCIENCE↗
DOE OSTI2026

HfTi_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys hafnium-titanium (Hf-Ti). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP). Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Hf and Ti. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect bcc lattice cites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,100 randomized atomic structures over 31 chemical compositions. The calculations have been collected on Air Force HPC11 cluster using the VASP 6.5.1. Additional methodology and file structure information is available in the dataset README.txt file.

36 MATERIALS SCIENCE↗
DOE OSTI2026

TiV_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys titanium-vanadium (Ti-V). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP). Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Ti and V. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect bcc lattice cites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,100 randomized atomic structures over 31 chemical compositions. The calculations have been collected on Air Force HPC11 cluster using the VASP 6.5.1. Additional methodology and file structure information is available in the dataset README.txt file.

36 MATERIALS SCIENCE↗
DOE OSTI2026

NbTi_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys niobium-titanium (Nb-Ti). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP), https://github.com/ORNL/ScalableWorkflow_VASP_Calculations. Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Nb and Ti. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect bcc lattice cites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,100 randomized atomic structures over 31 chemical compositions. The calculations have been collected on Air Force HPC11 cluster using the VASP 6.5.1. Additional methodology and file structure information is available in the dataset README.txt file.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Explicit structural topology optimization using boundary element method‐based moving morphable void approach

Abstract This article presents an explicit topology optimization approach using boundary element method based moving morphable void (MMV). Structural analysis in the conventional MMV approach is performed on a fixed mesh over the entire design domain. However, in the proposed method structural boundaries are described using B‐splines and discretized with boundary elements making explicit representation of the boundaries possible. In this regard, the proposed approach has following merits: a) the use of weak material, which is often adopted to mimic voids can be completely avoided; b) exact and explicit description of voids in MMV allows the capture of tiny structural features in a robust and effective way; c) numerical instabilities stemming from the use of fixed meshes can be naturally avoided. Several numerical examples are provided to demonstrate the effectiveness of the proposed approach.

Zhang, Weisheng↗
DOE OSTI2022

A second-order distributed memory parallel fast sweeping method for the Eikonal equation

The Eikonal equation is used to calculate wave propagation and distance fields, and due to its complexity requires numerical treatment for its solution. In this work, we present a second-order distributed memory parallel fast sweeping method. The second-order solution switches on a two-point stencil when two upwind points are available, and reverts to first-order otherwise. In all examples, the second-order method improves the solution over the first-order, allowing for significant savings in memory while achieving the same accuracy. Parallelization over distributed memory saw good weak scaling with optimal convergence. The computational time for second-order was approximately 2.5 times slower than first-order, where the largest amount of mesh points ran on 144 cores (512 GB) was ≈20 billion. The savings in memory from the second-order method combined with the distributed memory algorithm result in the ability to solve problems much larger than are possible with the serial first-order method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

High-Resolution Regional Wave Hindcast for U.S. Pacific Island Territories

This report summarizes modeling efforts for hindcasting of wave climate within the Exclusive Economic Zone around American Samoa, Baker Island and Howland Island, Commonwealth of Northern Mariana Islands, Guam, Jarvis Island, Johnston Atoll, Palmyra Atoll and Kingman Reef, and Wake Island. The report describes the mesh development and data sources used in the process. In addition, it provides the results of a sensitivity analysis performed to determine the optimal model configuration, details the data used for model forcing, shows a detailed skill assessment, and depicts the output.

16 TIDAL AND WAVE POWER↗
NASA NTRS1976

Approximation concepts for efficient structural synthesis

It is shown that efficient structural synthesis capabilities can be created by using approximation concepts to mesh finite element structural analysis methods with nonlinear mathematical programming techniques. The history of the application of mathematical programming techniques to structural design optimization problems is reviewed. Several rather general approximation concepts are described along with the technical foundations of the ACCESS 1 computer program, which implements several approximation concepts. A substantial collection of structural design problems involving truss and idealized wing structures is presented. It is concluded that since the basic ideas employed in creating the ACCESS 1 program are rather general, its successful development supports the contention that the introduction of approximation concepts will lead to the emergence of a new generation of practical and efficient, large scale, structural synthesis capabilities in which finite element analysis methods and mathematical programming algorithms will play a central role.

Schmit, L. A., Jr.↗
NASA NTRS1976

Some recent progress in transonic flow computation

Although the development of a finite difference relaxation procedure to solve the steady form of equations of motion gave birth to the study of computational transonic aerodynamics and considerable progress has been made using the small disturbance theory, no general analytical solution method yet exists for transonic flows that include three dimensional unsteady, and viscous effects. Two techniques are described which are useful in computational transonic aerodynamics applications. The finite volume method simplifies the application of boundary conditions without introducing the constriction associated with small disturbance theory. Governing equations are solved in a Cartesian coordinate system using a body-oriented and shock-oriented mesh network. Only the volume and surface normal directions of the volume elements must be known. The other method, configuration design by numerical optimization, can be used by aircraft designers to develop configurations that satisfy specific geometric performance constraints. Two examples of airfoil design by numerical optimization are presented.

Ballhaus, W. F.↗
NASA NTRS1994

Development of an adaptive hp-version finite element method for computational optimal control

In this research effort, the usefulness of hp-version finite elements and adaptive solution-refinement techniques in generating numerical solutions to optimal control problems has been investigated. Under NAG-939, a general FORTRAN code was developed which approximated solutions to optimal control problems with control constraints and state constraints. Within that methodology, to get high-order accuracy in solutions, the finite element mesh would have to be refined repeatedly through bisection of the entire mesh in a given phase. In the current research effort, the order of the shape functions in each element has been made a variable, giving more flexibility in error reduction and smoothing. Similarly, individual elements can each be subdivided into many pieces, depending on the local error indicator, while other parts of the mesh remain coarsely discretized. The problem remains to reduce and smooth the error while still keeping computational effort reasonable enough to calculate time histories in a short enough time for on-board applications.

Hodges, Dewey H.↗
NASA NTRS1998

A Preconditioning Method for Shape Optimization Governed by the Euler Equations

We consider a classical aerodynamic shape optimization problem subject to the compressible Euler flow equations. The gradient of the cost functional with respect to the shape variables is derived with the adjoint method at the continuous level. The Hessian (second order derivative of the cost functional with respect to the shape variables) is approximated also at the continuous level, as first introduced by Arian and Ta'asan (1996). The approximation of the Hessian is used to approximate the Newton step which is essential to accelerate the numerical solution of the optimization problem. The design space is discretized in the maximum dimension, i.e., the location of each point on the intersection of the computational mesh with the airfoil is taken to be an independent design variable. We give numerical examples for 86 design variables in two different flow speeds and achieve an order of magnitude reduction in the cost functional at a computational effort of a full solution of the analysis partial differential equation (PDE).

Arian, Eyal↗