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At least 145 records · Page 8

Efficient ICCG on a shared memory multiprocessor

Different approaches are discussed for exploiting parallelism in the ICCG (Incomplete Cholesky Conjugate Gradient) method for solving large sparse symmetric positive definite systems of equations on a shared memory parallel computer. Techniques for efficiently solving triangular systems and computing sparse matrix-vector products are explored. Three methods for scheduling the tasks in solving triangular systems are implemented on the Sequent Balance 21000. Sample problems that are representative of a large class of problems solved using iterative methods are used. We show that a static analysis to determine data dependences in the triangular solve can greatly improve its parallel efficiency. We also show that ignoring symmetry and storing the whole matrix can reduce solution time substantially.

Hammond, Steven W.↗

Large-scale computation of incompressible viscous flow by least-squares finite element method

The least-squares finite element method (LSFEM) based on the velocity-pressure-vorticity formulation is applied to large-scale/three-dimensional steady incompressible Navier-Stokes problems. This method can accommodate equal-order interpolations and results in symmetric, positive definite algebraic system which can be solved effectively by simple iterative methods. The first-order velocity-Bernoulli function-vorticity formulation for incompressible viscous flows is also tested. For three-dimensional cases, an additional compatibility equation, i.e., the divergence of the vorticity vector should be zero, is included to make the first-order system elliptic. The simple substitution of the Newton's method is employed to linearize the partial differential equations, the LSFEM is used to obtain discretized equations, and the system of algebraic equations is solved using the Jacobi preconditioned conjugate gradient method which avoids formation of either element or global matrices (matrix-free) to achieve high efficiency. To show the validity of this scheme for large-scale computation, we give numerical results for 2D driven cavity problem at Re = 10000 with 408 x 400 bilinear elements. The flow in a 3D cavity is calculated at Re = 100, 400, and 1,000 with 50 x 50 x 50 trilinear elements. The Taylor-Goertler-like vortices are observed for Re = 1,000.

Jiang, Bo-Nan↗

A least-squares finite element method for 3D incompressible Navier-Stokes equations

The least-squares finite element method (LSFEM) based on the velocity-pressure-vorticity formulation is applied to three-dimensional steady incompressible Navier-Stokes problems. This method can accommodate equal-order interpolations, and results in symmetric, positive definite algebraic system. An additional compatibility equation, i.e., the divergence of vorticity vector should be zero, is included to make the first-order system elliptic. The Newton's method is employed to linearize the partial differential equations, the LSFEM is used to obtain discretized equations, and the system of algebraic equations is solved using the Jacobi preconditioned conjugate gradient method which avoids formation of either element or global matrices (matrix-free) to achieve high efficiency. The flow in a half of 3D cubic cavity is calculated at Re = 100, 400, and 1,000 with 50 x 52 x 25 trilinear elements. The Taylor-Gortler-like vortices are observed at Re = 1,000.

Jiang, Bo-Nan↗

A viscoelastic higher-order beam finite element

A viscoelastic internal variable constitutive theory is applied to a higher-order elastic beam theory and finite element formulation. The behavior of the viscous material in the beam is approximately modeled as a Maxwell solid. The finite element formulation requires additional sets of nodal variables for each relaxation time constant needed by the Maxwell solid. Recent developments in modeling viscoelastic material behavior with strain variables that are conjugate to the elastic strain measures are combined with advances in modeling through-the-thickness stresses and strains in thick beams. The result is a viscous thick-beam finite element that possesses superior characteristics for transient analysis since its nodal viscous forces are not linearly dependent an the nodal velocities, which is the case when damping matrices are used. Instead, the nodal viscous forces are directly dependent on the material's relaxation spectrum and the history of the nodal variables through a differential form of the constitutive law for a Maxwell solid. The thick beam quasistatic analysis is explored herein as a first step towards developing more complex viscoelastic models for thick plates and shells, and for dynamic analyses. The internal variable constitutive theory is derived directly from the Boltzmann superposition theorem. The mechanical strains and the conjugate internal strains are shown to be related through a system of first-order, ordinary differential equations. The total time-dependent stress is the superposition of its elastic and viscous components. Equations of motion for the solid are derived from the virtual work principle using the total time-dependent stress. Numerical examples for the problems of relaxation, creep, and cyclic creep are carried out for a beam made from an orthotropic Maxwell solid.

Johnson, Arthur R.↗

Investigation of Conjugate Heat Transfer in Turbine Blades and Vanes

We report on work carried out to develop a 3-D coupled Finite Volume/BEM-based temperature forward/flux back (TFFB) coupling algorithm to solve the conjugate heat transfer (CHT) which arises naturally in analysis of systems exposed to a convective environment. Here, heat conduction within a structure is coupled to heat transfer to the external fluid which is convecting heat into or out of the solid structure. There are two basic approaches to solving coupled fluid structural systems. The first is a direct coupling where the solution of the different fields is solved simultaneously in one large set of equations. The second approach is a loose coupling strategy where each set of field equations is solved to provide boundary conditions for the other. The equations are solved in turn until an iterated convergence criterion is met at the fluid-solid interface. The loose coupling strategy is particularly attractive when coupling auxiliary field equations to computational fluid dynamics codes. We adopt the latter method in which the BEM is used to solve heat conduction inside a structure which is exposed to a convective field which in turn is resolved by solving the NASA Glenn compressible Navier-Stokes finite volume code Glenn-HT. The BEM code features constant and bi-linear discontinuous elements and an ILU-preconditioned GMRES iterative solver for the resulting non-symmetric algebraic set arising in the conduction solution. Interface of flux and temperature is enforced at the solid/fluid interface, and a radial-basis function scheme is used to interpolated information between the CFD and BEM surface grids. Additionally, relaxation is implemented in passing the fluxes from the conduction solution to the fluid solution. Results from a simple test example are reported.

Kassab, A. J.↗

Design Techniques for Beam Waveguide Systems

Various design techniques used for beam waveguide (BWG) feed systems are characterized. These include the use of gaussian beam, geometrical optics, and physical optics systems. Also introduced is a new technique based upon a conjugate phase matching focal plane technique. Advantages, disadvantages, and range of applicability of each technique is given, In addition, comparisons of computed and measured results from each type of design are presented.

beam↗

Comparison of Conjugate Gradient Density Matrix Search and Chebyshev Expansion Methods for Avoiding Diagonalization in Large-Scale Electronic Structure Calculations

We report a comparison of two linear-scaling methods which avoid the diagonalization bottleneck of traditional electronic structure algorithms. The Chebyshev expansion method (CEM) is implemented for carbon tight-binding calculations of large systems and its memory and timing requirements compared to those of our previously implemented conjugate gradient density matrix search (CG-DMS). Benchmark calculations are carried out on icosahedral fullerenes from C60 to C8640 and the linear scaling memory and CPU requirements of the CEM demonstrated. We show that the CPU requisites of the CEM and CG-DMS are similar for calculations with comparable accuracy.

Bates, Kevin R.↗

NeuroFEM

SAND2025-00525O NeuroFEM is a software tool that demonstrates a neuromorphic algorithm for solving finite element problems. It sets up a 2D finite element problem for the Poisson equation on a disk, constructs synaptic matrices, and simulates neural dynamics to solve the resulting sparse linear system. The software illustrates how the algorithm converges to the solution and plots the results, showcasing a neuromorphic counterpart to traditional methods like Conjugate Gradient or GMRES. This tool is designed to highlight the potential of neuromorphic algorithms for solving sparse linear systems, which are prevalent in various computational applications. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

SciDAC↗

Modeling algorithm execution time on processor arrays

An approach to modelling the execution time of algorithms on parallel arrays is presented. This time is expressed as a function of the number of processors and system parameters. The resulting model has been applied to a parallel implementation of the conjugate-gradient algorithm on NASA's FEM. Results of experiments performed to compare the model predictions against actual behavior show that the floating-point arithmetic, communication, and synchronization components of the parallel algorithm execution time were correctly modelled. The results also show that the overhead caused by the interaction of the system software and the actual parallel hardware must be reflected in the model parameters. The model has been used to predict the performance of the conjugate gradient algorithm on a given problem as the number of processors and machine characteristics varied.

Adams, L. M.↗

Adjustment technique without explicit formation of normal equations /conjugate gradient method/

For a simultaneous adjustment of a large geodetic triangulation system, a semiiterative technique is modified and used successfully. In this semiiterative technique, known as the conjugate gradient (CG) method, original observation equations are used, and thus the explicit formation of normal equations is avoided, 'huge' computer storage space being saved in the case of triangulation systems. This method is suitable even for very poorly conditioned systems where solution is obtained only after more iterations. A detailed study of the CG method for its application to large geodetic triangulation systems was done that also considered constraint equations with observation equations. It was programmed and tested on systems as small as two unknowns and three equations up to those as large as 804 unknowns and 1397 equations. When real data (573 unknowns, 965 equations) from a 1858-km-long triangulation system were used, a solution vector accurate to four decimal places was obtained in 2.96 min after 1171 iterations (i.e., 2.0 times the number of unknowns).

Saxena, N. K.↗

Topological protection in a Landau flat band at v = 7/11, a candidate filling factor for unconventional correlations

Strong interactions in Landau flat bands are known to stabilize correlated states that do not form in other types of flat bands. We report hallmarks of topological protection at the Landau level filling factor v = 7/11 in a 2D electron system. The v = 7/11 filling factor is the particle-hole conjugate of v = 4/11⁠, a filling factor intensely studied for the possibility of realizing unconventional electronic correlations. Our data establish a new instance for an unusual fractional quantum Hall state and opens up possibilities for the study of unconventional correlations in an enlarged parameter space. We report and discuss transport signatures developing at other filling factors of interest v = 7/11, 5/8⁠, and 8/13⁠, which however in our sample do not exhibit topological protection.

composite fermions↗

Modal decomposition of Hamiltonian variational equations

Over any finite arc of trajectory, the variational equations of a Hamiltonian system can be separated into 'normal' modes. This transformation is canonical, and the Lyapunov exponents over the trajectory arc occur as positive/negative pairs for conjugate modes, while the modal vectors remain unit vectors. This decomposition effectively solves the variational equations for any canonical, linear-dependent system. As an example, we study the Voyager I trajectory. In an interplanetary flyby, some of the modal variables increase by very large multiplicative factors, but this means that their conjugate modal variables decrease by those same very large multiplicative vectors. Maneuver strategies for this case are explored, and the minimum delta upsilon maneuver is found.

Wiesel, William E.↗

Experiments with conjugate gradient algorithms for homotopy curve tracking

There are algorithms for finding zeros or fixed points of nonlinear systems of equations that are globally convergent for almost all starting points, i.e., with probability one. The essence of all such algorithms is the construction of an appropriate homotopy map and then tracking some smooth curve in the zero set of this homotopy map. HOMPACK is a mathematical software package implementing globally convergent homotopy algorithms with three different techniques for tracking a homotopy zero curve, and has separate routines for dense and sparse Jacobian matrices. The HOMPACK algorithms for sparse Jacobian matrices use a preconditioned conjugate gradient algorithm for the computation of the kernel of the homotopy Jacobian matrix, a required linear algebra step for homotopy curve tracking. Here, variants of the conjugate gradient algorithm are implemented in the context of homotopy curve tracking and compared with Craig's preconditioned conjugate gradient method used in HOMPACK. The test problems used include actual large scale, sparse structural mechanics problems.

Irani, Kashmira M.↗

Antihydrogen formation in collisions of positronium with antiprotons

Antihydrogen, consisting of a positron orbiting around an antiproton, is the simplest few body system consisting entirely of antimatter and as such is of considerable importance in providing additional tests of the validity of charge conjugation invariance. In addition, the nature of the gravitational interaction between matter and antimatter might more readily be investigated for an electrically neutral system than one which is charged. Before such studies can be undertaken the antihydrogen must, of course, be produced by attachment of a positron to an antipositron. Several production mechanisms have been proposed, the two most favored of which are radiative capture (spontaneous or stimulated) and charge exchange in positronium-antiproton collisions. The cross section for radiative capture is very much less than that for charge exchange, so that it might be thought that the latter process is greatly to be preferred. Various calculations of the cross section for the charge exchange process are briefly reviewed.

Humberston, J. W.↗

Leveraging operator learning to accelerate convergence of the preconditioned conjugate gradient method

We propose a new deflation strategy to accelerate the convergence of the preconditioned conjugate gradient (PCG) method for solving parametric large-scale linear systems of equations. Unlike traditional deflation techniques that rely on eigenvector approximations or recycled Krylov subspaces, we generate the deflation subspaces using operator learning, specifically the Deep Operator Network (DeepONet). To this aim, we introduce two complementary approaches for assembling the deflation operators. The first approach approximates near-null space vectors of the discrete PDE operator using the basis functions learned by the DeepONet. The second approach directly leverages solutions predicted by the DeepONet. To further enhance convergence, we also propose several strategies for prescribing the sparsity pattern of the deflation operator. Here, a comprehensive set of numerical experiments encompassing steady-state, time-dependent, scalar, and vector-valued problems posed on both structured and unstructured geometries is presented and demonstrates the effectiveness of the proposed DeepONet-based deflated PCG method, as well as its generalization across a wide range of model parameters and problem resolutions.

Deflation↗

Trajectory optimization for an asymmetric launch vehicle

A numerical optimization technique is used to fully automate the trajectory design process for an symmetric configuration of the proposed Advanced Launch System (ALS). The objective of the ALS trajectory design process is the maximization of the vehicle mass when it reaches the desired orbit. The trajectories used were based on a simple shape that could be described by a small set of parameters. The use of a simple trajectory model can significantly reduce the computation time required for trajectory optimization. A predictive simulation was developed to determine the on-orbit mass given an initial vehicle state, wind information, and a set of trajectory parameters. This simulation utilizes an idealized control system to speed computation by increasing the integration time step. The conjugate gradient method is used for the numerical optimization of on-orbit mass. The method requires only the evaluation of the on-orbit mass function using the predictive simulation, and the gradient of the on-orbit mass function with respect to the trajectory parameters. The gradient is approximated with finite differencing. Prelaunch trajectory designs were carried out using the optimization procedure. The predictive simulation is used in flight to redesign the trajectory to account for trajectory deviations produced by off-nominal conditions, e.g., stronger than expected head winds.

Sullivan, Jeanne Marie↗

Process of changing the refractive index of a composite containing a polymer and a compound having large dipole moment and polarizability and applications thereof

Fused ring bridge, ring locked dyes that form thermally stable photorfractive compositions. The fused ring bridge structures are .pi.-conjugated bonds in benzene-, naphthalene- or anthracene-derived fused ring systems that connect donor and acceptor groups. The donor and acceptor groups contribute to a high molecular dipole moment and linear polarizability anisotropy. The polarization characteristics of the dye molecules are stabilized since the bonds in the fused ring bridge are not susceptible to rotation, reducing the opportunity for photoisomerization. The dyes are compatible with polymeric compositions, including thermoplastics. The dyes are electrically neutral but have charge transport, electronic and orientational properties such that upon illumination of a composition containing the dye, the dye facilitates refractive index modulation and a photorefractive effect that can be utilized advantageously in numerous applications such as in optical quality devices and biological imaging.

Marder, Seth R.↗

Thermally stable molecules with large dipole moments and polarizabilities and applications thereof

Disclosed are fused ring bridge, ring-locked dyes that form thermally stable photorefractive compositions. The fused ring bridge structures are .pi.-conjugated bonds in benzene-, naphthalene- or anthracene-derived fused ring systems that connect donor and acceptor groups. The donor and acceptor groups contribute to a high molecular dipole moment and linear polarizability anisotropy. The polarization characteristics of the dye molecules are stabilized since the bonds in the fused ring bridge are not susceptible to rotation, reducing the opportunity for photoisomerization. The dyes are compatible with polymeric compositions, including thermoplastics. The dyes are electrically neutral but have charge transport, electronic and orientational properties such that upon illumination of a composition containing the dye, the dye facilitates refractive index modulation and a photorefractive effect that can be utilized advantageously in numerous applications such as in optical quality devices and biological imaging.

Marder, Seth R.↗