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All sourcesNASA NTRSDOE OSTI
NASA NTRS1972

Applications of partial orderings to the study of positive definiteness, monotonicity, and convergence of iterative methods for linear systems.

Most of the known results concerning convergence of iterative methods for solving linear systems involve either positive definiteness or monotonicity. In this paper a new concept, called K-semipositivity, is introduced, which provides a link between convergence theory, monotonicity, and positive definiteness. By using this concept, together with partial orderings in Euclidean n-space, several new convergence theorems are proved. Application to Jacobi's methods and the theory of regular splittings shows the usefulness of these new results.

Vandergraft, J. S.↗
DOE OSTI2025

An FFT-based micromechanical model for gradient enhanced brittle fracture

Damage models incorporated within FFT-based micromechanical methods have received much attention recently because of the need to better understand and predict brittle and ductile fracture. An important aspect of a damage model is non-local regularization, which removes the mesh dependence of the predictions that otherwise become physically unacceptable upon grid refinement. In this work, the Helmholtz-type equation for non-local gradient regularization of a damage model on a distorted grid is solved using an FFT-based approach. Further, the resulting system of equations is solved using the Jacobi iterative method. The model is applied to simulate brittle fracture of an intermetallic. The influence of the time and space discretization, the length-scale parameter, and intermetallic crystallographic orientation on crack evolution is studied.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Four-dimensional cone beam CT reconstruction and enhancement using a temporal nonlocal means method

Purpose: Four-dimensional cone beam computed tomography (4D-CBCT) has been developed to provide respiratory phase-resolved volumetric imaging in image guided radiation therapy. Conventionally, it is reconstructed by first sorting the x-ray projections into multiple respiratory phase bins according to a breathing signal extracted either from the projection images or some external surrogates, and then reconstructing a 3D CBCT image in each phase bin independently using FDK algorithm. This method requires adequate number of projections for each phase, which can be achieved using a low gantry rotation or multiple gantry rotations. Inadequate number of projections in each phase bin results in low quality 4D-CBCT images with obvious streaking artifacts. 4D-CBCT images at different breathing phases share a lot of redundant information, because they represent the same anatomy captured at slightly different temporal points. Taking this redundancy along the temporal dimension into account can in principle facilitate the reconstruction in the situation of inadequate number of projection images. In this work, the authors propose two novel 4D-CBCT algorithms: an iterative reconstruction algorithm and an enhancement algorithm, utilizing a temporal nonlocal means (TNLM) method. Methods: The authors define a TNLM energy term for a given set of 4D-CBCT images. Minimization of this term favors those 4D-CBCT images such that any anatomical features at one spatial point at one phase can be found in a nearby spatial point at neighboring phases. 4D-CBCT reconstruction is achieved by minimizing a total energy containing a data fidelity term and the TNLM energy term. As for the image enhancement, 4D-CBCT images generated by the FDK algorithm are enhanced by minimizing the TNLM function while keeping the enhanced images close to the FDK results. A forward-backward splitting algorithm and a Gauss-Jacobi iteration method are employed to solve the problems. The algorithms implementation on GPU is designed to avoid redundant and uncoalesced memory access, in order to ensure a high computational efficiency. Our algorithms have been tested on a digital NURBS-based cardiac-torso phantom and a clinical patient case. Results: The reconstruction algorithm and the enhancement algorithm generate visually similar 4D-CBCT images, both better than the FDK results. Quantitative evaluations indicate that, compared with the FDK results, our reconstruction method improves contrast-to-noise-ratio (CNR) by a factor of 2.56-3.13 and our enhancement method increases the CNR by 2.75-3.33 times. The enhancement method also removes over 80% of the streak artifacts from the FDK results. The total computation time is 509-683 s for the reconstruction algorithm and 524-540 s for the enhancement algorithm on an NVIDIA Tesla C1060 GPU card. Conclusions: By innovatively taking the temporal redundancy among 4D-CBCT images into consideration, the proposed algorithms can produce high quality 4D-CBCT images with much less streak artifacts than the FDK results, in the situation of inadequate number of projections.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Jacobi collocation scheme for variable-order fractional reaction-subdiffusion equation

We developed a numerical scheme to solve the variable-order fractional linear subdiffusion and nonlinear reaction-subdiffusion equations using the shifted Jacobi collocation method. Basically, a time-space collocation approximation for temporal and spatial discretizations is employed efficiently to tackle these equations. The convergence and stability analyses of the suggested basis functions are presented in-depth. The validity and efficiency of the proposed method are investigated and verified through numerical examples.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1977

A block iterative LU solver for weakly coupled linear systems

A hybrid technique, called the block iterative LU solver, is proposed for solving the linear equations resulting from a finite element numerical analysis of certain fluid dynamics problems where the equations are weakly coupled between distinct sets of variables. Either the block Jacobi iterative method or the block Gauss-Seidel iterative solver is combined with LU decomposition.

Cooke, C. H.↗
NASA NTRS1986

The effect of gravity level on the average primary dendritic spacing of a directionally solidified superalloy

The effect of alternating low (0.01 g) and high (1.8 g) gravity force on the primary spacings in the dendrite structure in a directionally solidified Ni-based superalloy (PWA 1480, containing 5 pct Co, 10 pct Cr, 4 pct W, 12 pct Ta, 5 pct Al, 1.5 pct Ti, and the balance Ni) was investigated using samples solidified in a directional solidification furnace aboard the NASA KC-135 aircraft that made a series of low-g parabolas. The cross-section slices for each growth rate were polished and etched with Kallings II, and the primary dendritic arm spacings were measured using the method of Jacobi and Schwerdtfeger (1976). The arm spacings were found to fluctuate with gravity force, increasing as the gravity level decreased, and growing finer as gravity increased.

Mccay, M. H.↗
NASA NTRS1992

Acoustic modes in fluid networks

Pressure and flow rate eigenvalue problems for one-dimensional flow of a fluid in a network of pipes are derived from the familiar transmission line equations. These equations are linearized by assuming small velocity and pressure oscillations about mean flow conditions. It is shown that the flow rate eigenvalues are the same as the pressure eigenvalues and the relationship between line pressure modes and flow rate modes is established. A volume at the end of each branch is employed which allows any combination of boundary conditions, from open to closed, to be used. The Jacobi iterative method is used to compute undamped natural frequencies and associated pressure/flow modes. Several numerical examples are presented which include acoustic modes for the Helium Supply System of the Space Shuttle Orbiter Main Propulsion System. It should be noted that the method presented herein can be applied to any one-dimensional acoustic system involving an arbitrary number of branches.

Michalopoulos, C. D.↗
DOE OSTI2017

HFEM3D

Software solves the three-dimensional Poisson equation div(k(grad(u)) = f, by the finite element method for the case when material properties, k, are distributed over hierarchy of edges, facets and tetrahedra in the finite element mesh. Method is described in Weiss, CJ, Finite element analysis for model parameters distributed on a hierarchy of geometric simplices, Geophysics, v82, E155-167, doi:10.1190/GEO2017-0058.1 (2017). A standard finite element method for solving Poisson’s equation is augmented by including in the 3D stiffness matrix additional 2D and 1D stiffness matrices representing the contributions from material properties associated with mesh faces and edges, respectively. The resulting linear system is solved iteratively using the conjugate gradient method with Jacobi preconditioning. To minimize computer storage for program execution, the linear solver computes matrix-vector contractions element-by-element over the mesh, without explicit storage of the global stiffness matrix. Program output vtk compliant for visualization and rendering by 3rd party software. Program uses dynamic memory allocation and as such there are no hard limits on problem size outside of those imposed by the operating system and configuration on which the software is run. Dimension, N, of the finite element solution vector is constrained by the the addressable space in 32-vs-64 bit operating systems. Total storage requirements for the problem. Total working space required for the program is approximately 13*N double precision words.

Weiss, Chester J↗
DOE OSTI2025

Fast meta-solvers for 3D complex-shape scatterers using neural operators trained on a non-scattering problem

Three-dimensional target identification using scattering techniques requires high accuracy solutions and very fast computations for real-time predictions in some critical applications. We first train a deep neural operator (DeepONet) to solve wave propagation problems described by the Helmholtz equation in a domain without scatterers but at different wavenumbers and with a complex absorbing boundary condition. We then design two classes of fast meta-solvers by combining DeepONet with either relaxation methods, such as Jacobi and Gauss-Seidel, or with Krylov methods, such as GMRES and BiCGStab, using the trunk basis of DeepONet as a coarse-scale preconditioner. We leverage the spectral bias of neural networks to account for the lower part of the spectrum in the error distribution while the upper part is handled inexpensively using relaxation methods or fine-scale preconditioners. The meta-solvers are then applied to solve scattering problems with different shape of scatterers, at no extra training cost. We first demonstrate that the resulting meta-solvers are shape-agnostic, fast, and robust, whereas the standard standalone solvers may even fail to converge without the DeepONet. We then apply both classes of meta-solvers to scattering from a submarine, a complex three-dimensional problem. We achieve very fast solutions, especially with the DeepONet-Krylov methods, which require orders of magnitude fewer iterations than any of the standalone solvers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Local bilinear computation of Jacobi sets

Abstract We propose a novel method for the computation of Jacobi sets in 2D domains. The Jacobi set is a topological descriptor based on Morse theory that captures gradient alignments among multiple scalar fields, which is useful for multi-field visualization. Previous Jacobi set computations use piecewise linear approximations on triangulations that result in discretization artifacts like zig-zag patterns. In this paper, we utilize a local bilinear method to obtain a more precise approximation of Jacobi sets by preserving the topology and improving the geometry. Consequently, zig-zag patterns on edges are avoided, resulting in a smoother Jacobi set representation. Our experiments show a better convergence with increasing resolution compared to the piecewise linear method. We utilize this advantage with an efficient local subdivision scheme. Finally, our approach is evaluated qualitatively and quantitatively in comparison with previous methods for different mesh resolutions and across a number of synthetic and real-world examples.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1983

Parallel solution of finite element equations

The paper examines several parallel processing solution algorithms for finite element equations arising in linear equilibrium problems. Two basic groups of algorithms, direct and iterative, are investigated with respect to a number of parallel computer architectures and associated selection criteria. The direct algorithms include: LR-Gauss, Crout, Cholesky, Cyclic Reduction and WZ-factorization. The iterative methods examined are: Accelerated Gauss-Seidel, Surrogate Stiffness, Jacobi, Series Expansion, and Energy Monte Carlo. For real-time applications, where the object is to minimize the execution time, Cyclic Reduction appears to be best suited. This assumes a computer with an unlimited number of parallel processors. However, for computers with a limited number of parallel processors that must be used efficiently, both Gauss factorization and Jacobi-like iterative methods rank favorably.

Salama, M.↗
NASA NTRS1987

Experience in grid optimization

Two optimization methods for solving a variational problem in grid generation are described and evaluated. The smoothness, cell volumes, and orthogonality of the variational integrals are examined. The Jacobi-Newton iterative method is compared to the Fletcher-Reeves conjugate gradient method. It is observed that a combination of the Jacobi-Newton iteration and the direct solution of the variational problem produces an algorithm which is easy to program and requires less storage and computer time/iteration than the conjugate gradient method.

Mastin, C. W.↗
NASA NTRS1991

Comparing direct and iterative equation solvers in a large structural analysis software system

Two direct Choleski equation solvers and two iterative preconditioned conjugate gradient (PCG) equation solvers used in a large structural analysis software system are described. The two direct solvers are implementations of the Choleski method for variable-band matrix storage and sparse matrix storage. The two iterative PCG solvers include the Jacobi conjugate gradient method and an incomplete Choleski conjugate gradient method. The performance of the direct and iterative solvers is compared by solving several representative structural analysis problems. Some key factors affecting the performance of the iterative solvers relative to the direct solvers are identified.

Poole, E. L.↗
DOE OSTI2011

Breatherlike electromagnetic wave propagation in an antiferromagnetic medium with Dzyaloshinsky-Moriya interaction

We investigate the nature of propagation of electromagnetic waves (EMWs) in an antiferromagnetic medium with Dzyaloshinsky-Moriya (DM) interaction environment. The interplay of bilinear and DM exchange spin coupling with the magnetic field component of the EMW has been studied by solving Maxwell's equations coupled with a nonlinear spin equation for the magnetization of the medium. We made a nonuniform expansion of the magnetization and magnetic field along the direction of propagation of EMW, in the framework of reductive perturbation method, and the dynamics of the system is found to be governed by a generalized derivative nonlinear Schroedinger (DNLS) equation. We employ the Jacobi-elliptic function method to solve the DNLS equation, and the electromagnetic wave propagation in an antiferromagnetic medium is governed by the breatherlike spatially and temporally coherent localized modes under the influence of DM interaction parameter.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Hierarchical Krylov and nested Krylov methods for extreme-scale computing

The solution of large, sparse linear systems is typically a dominant phase of computation for simulations based on partial differential equations, which are ubiquitous in scientific and engineering applications. While preconditioned Krylov methods are widely used and provide many advantages for solving sparse linear systems that do not have highly convergent, geometric multigrid solvers or specialized fast solvers, Krylov methods encounter well-known scaling difficulties for over 10,000 processor cores because each iteration requires at least one vector inner product, which in turn requires a global synchronization that scales poorly because of internode latency. To aid in overcoming these difficulties, we have developed hierarchical Krylov methods and nested Krylov methods in the PETSc library that reduce the number of global inner products required across the entire system (where they are expensive), though freely allow vector inner products across smaller subsets of the entire system (where they are inexpensive) or use inner iterations that do not invoke vector inner products at all. Nested Krylov methods are a generalization of inner-outer iterative methods with two or more layers. Hierarchical Krylov methods are a generalization of block Jacobi and overlapping additive Schwarz methods, where each block itself is solved by Krylov methods on smaller blocks. Conceptually, the hierarchy can continue recursively to an arbitrary number of levels of smaller and smaller blocks. As a specific case, we introduce the hierarchical FGMRES method, or h-FGMRES, and we demonstrate the impact of two-level h-FGMRES with a variable preconditioner on the PFLOTRAN subsurface flow application. We also demonstrate the impact of nested FGMRES, BiCGStab and Chebyshev methods. These hierarchical Krylov methods and nested Krylov methods significantly reduced overall PFLOTRAN simulation time on the Cray XK6 when using 10,000 through 224,000 cores through the combined effects of reduced global synchronization due to fewer global inner products and stronger inner hierarchical or nested preconditioners.

97 MATHEMATICS AND COMPUTING↗