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At least 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Distributed and communication-efficient solutions to linear equations with special sparse structure

In this paper we report two distributed and communication-efficient algorithms based on the multi-agent system are proposed to solve a system of linear equations with the Laplacian sparse system matrix. One algorithm is based on the gradient descent method in optimization. In this algorithm, the agents only share partial information instead of all of their collective state vectors to save significant communication. The other algorithm is obtained by approximating Newton’s method for a faster convergence rate. Although it requires twice as much communication as the first one, it is still communication-efficient given the low dimension of the information shared among agents. The convergence at a linear rate is proved for both algorithms, and a comprehensive comparison of their convergence rate, communication burden, and computation costs is also performed. The proposed algorithms can be applied to various systems to solve those problems that can be modeled as a system of linear equations with a Laplacian sparse system matrix. Simulation results with the electric power system illustrate their effectiveness.

42 ENGINEERING↗
DOE OSTI2022

Quasielastic least-squares reverse time migration of PS reflections

Conventional analysis of amplitude variation with offset for elastic PS reflections is based on analytical reflection coefficients in a layered medium, and wave-equation-based PS migration is mainly used to produce a structural image. To overcome this problem, we have developed a least-squares reverse time migration (LSRTM) method for elastic PS reflections based on a quasielastic wave equation. Here, the quasielastic wave equation can accurately model PS reflections with elastic amplitudes under the first-order Born approximation. Our LSRTM method inverts for perturbations of the S-wave velocity and density by minimizing the L 2 norm of the difference between recorded and predicted PS reflections modeled using a quasielastic wave equation. We refer to our new method as quasielastic LSRTM of PS reflections. Numerical tests on synthetic and field data indicate that our method can properly handle the amplitudes of elastic PS reflections and provides an accurate estimate of the perturbations of S-wave velocity and density. Extending the method to the 3D case is not straightforward and might require incorporating certain PS data processing techniques into the inversion itself.

58 GEOSCIENCES↗
NASA NTRS1989

Shape sensitivity analysis of flutter response of a laminated wing

A method is presented for calculating the shape sensitivity of a wing aeroelastic response with respect to changes in geometric shape. Yates' modified strip method is used in conjunction with Giles' equivalent plate analysis to predict the flutter speed, frequency, and reduced frequency of the wing. Three methods are used to calculate the sensitivity of the eigenvalue. The first method is purely a finite difference calculation of the eigenvalue derivative directly from the solution of the flutter problem corresponding to the two different values of the shape parameters. The second method uses an analytic expression for the eigenvalue sensitivities of a general complex matrix, where the derivatives of the aerodynamic, mass, and stiffness matrices are computed using a finite difference approximation. The third method also uses an analytic expression for the eigenvalue sensitivities, but the aerodynamic matrix is computed analytically. All three methods are found to be in good agreement with each other.

Kapania, Rakesh K.↗
NASA NTRS2003

Towards a Probabilistic Preliminary Design Criterion for Buckling Critical Composite Shells

A probability-based analysis method for predicting buckling loads of compression-loaded laminated-composite shells is presented, and its potential as a basis for a new shell-stability design criterion is demonstrated and discussed. In particular, a database containing information about specimen geometry, material properties, and measured initial geometric imperfections for a selected group of laminated-composite cylindrical shells is used to calculate new buckling-load "knockdown factors". These knockdown factors are shown to be substantially improved, and hence much less conservative than the corresponding deterministic knockdown factors that are presently used by industry. The probability integral associated with the analysis is evaluated by using two methods; that is, by using the exact Monte Carlo method and by using an approximate First-Order Second- Moment method. A comparison of the results from these two methods indicates that the First-Order Second-Moment method yields results that are conservative for the shells considered. Furthermore, the results show that the improved, reliability-based knockdown factor presented always yields a safe estimate of the buckling load for the shells examined.

Arbocz, Johann↗
NASA NTRS2022

Flows in Enthalpy-based Thermal Evolution of Loops

Plasma-filled loop structures are common in the solar corona. Because detailed modeling of the dynamical evolution of these structures is computationally costly, an efficient method for computing approximate but quick physics-based solutions is to rely on space-integrated 0D simulations. The enthalpy-based thermal evolution of loops (EBTEL) framework is a commonly used method to study the exchange of mass and energy between the corona and transition region. EBTEL solves for density, temperature, and pressure, averaged over the coronal part of the loop, velocity at coronal base, and the instantaneous differential emission measure distribution in the transition region. The current single-fluid version of the code, EBTEL2, assumes that at all stages the flows are subsonic. However, sometimes the solutions show the presence of supersonic flows during the impulsive phase of heat input. It is thus necessary to account for this effect. Here, we upgrade EBTEL2 to EBTEL3 by including the kinetic energy term in the Navier–Stokes equation. We compare the solutions from EBTEL3 with those obtained using EBTEL2, as well as the state-of-the-art field-aligned hydrodynamics code HYDRAD. We find that the match in pressure between EBTEL3 and HYDRAD is better than that between EBTEL2 and HYDRAD. Additionally, the velocities predicted by EBTEL3 are in close agreement with those obtained with HYDRAD when the flows are subsonic. However, EBTEL3 solutions deviate substantially from HYDRAD’s when the latter predicts supersonic flows. Using the mismatches in the solution, we propose a criterion to determine the conditions under which EBTEL can be used to study flows in the system.

Solar coronal heating↗
NASA NTRS1972

Estimation of correlation functions by stochastic approximation.

Consideration of the autocorrelation function of a zero-mean stationary random process. The techniques are applicable to processes with nonzero mean provided the mean is estimated first and subtracted. Two recursive techniques are proposed, both of which are based on the method of stochastic approximation and assume a functional form for the correlation function that depends on a number of parameters that are recursively estimated from successive records. One technique uses a standard point estimator of the correlation function to provide estimates of the parameters that minimize the mean-square error between the point estimates and the parametric function. The other technique provides estimates of the parameters that maximize a likelihood function relating the parameters of the function to the random process. Examples are presented.

Habibi, A.↗
DOE OSTI2018

Finite-Difference Methods for Fractional Differential Equations of Order 1/2

In this work, we study approximations of solutions of fractional differential equations of order 1/2. We present a new method of approximation and obtain the order of convergence. The presentation is given within the abstract framework of a semidiscrete approximation scheme, which includes finite-element methods, finite-difference schemes, and projection methods.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2000

A Posteriori Error Estimation for Finite Volume and Finite Element Approximations Using Broken Space Approximation

We consider a posteriori error estimates for finite volume and finite element methods on arbitrary meshes subject to prescribed error functionals. Error estimates of this type are useful in a number of computational settings: (1) quantitative prediction of the numerical solution error, (2) adaptive meshing, and (3) load balancing of work on parallel computing architectures. Our analysis recasts the class of Godunov finite volumes schemes as a particular form of discontinuous Galerkin method utilizing broken space approximation obtained via reconstruction of cell-averaged data. In this general framework, weighted residual error bounds are readily obtained using duality arguments and Galerkin orthogonality. Additional consideration is given to issues such as nonlinearity, efficiency, and the relationship to other existing methods. Numerical examples are given throughout the talk to demonstrate the sharpness of the estimates and efficiency of the techniques. Additional information is contained in the original.

Barth, Timothy J.↗
DOE OSTI2020

QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo

We review recent advances in the capabilities of the open source ab initio Quantum Monte Carlo (QMC) package QMCPACK and the workflow tool Nexus used for greater efficiency and reproducibility. The auxiliary field QMC (AFQMC) implementation has been greatly expanded to include k-point symmetries, tensor-hypercontraction, and accelerated graphical processing unit (GPU) support. These scaling and memory reductions greatly increase the number of orbitals that can practically be included in AFQMC calculations, increasing the accuracy. Advances in real space methods include techniques for accurate computation of bandgaps and for systematically improving the nodal surface of ground state wavefunctions. Results of these calculations can be used to validate application of more approximate electronic structure methods, including GW and density functional based techniques. To provide an improved foundation for these calculations, we utilize a new set of correlation-consistent effective core potentials (pseudopotentials) that are more accurate than previous sets; these can also be applied in quantum-chemical and other many-body applications, not only QMC. These advances increase the efficiency, accuracy, and range of properties that can be studied in both molecules and materials with QMC and QMCPACK.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2003

Finite-Element Methods for Real-Time Simulation of Surgery

Two finite-element methods have been developed for mathematical modeling of the time-dependent behaviors of deformable objects and, more specifically, the mechanical responses of soft tissues and organs in contact with surgical tools. These methods may afford the computational efficiency needed to satisfy the requirement to obtain computational results in real time for simulating surgical procedures as described in Simulation System for Training in Laparoscopic Surgery (NPO-21192) on page 31 in this issue of NASA Tech Briefs. Simulation of the behavior of soft tissue in real time is a challenging problem because of the complexity of soft-tissue mechanics. The responses of soft tissues are characterized by nonlinearities and by spatial inhomogeneities and rate and time dependences of material properties. Finite-element methods seem promising for integrating these characteristics of tissues into computational models of organs, but they demand much central-processing-unit (CPU) time and memory, and the demand increases with the number of nodes and degrees of freedom in a given finite-element model. Hence, as finite-element models become more realistic, it becomes more difficult to compute solutions in real time. In both of the present methods, one uses approximate mathematical models trading some accuracy for computational efficiency and thereby increasing the feasibility of attaining real-time up36 NASA Tech Briefs, October 2003 date rates. The first of these methods is based on modal analysis. In this method, one reduces the number of differential equations by selecting only the most significant vibration modes of an object (typically, a suitable number of the lowest-frequency modes) for computing deformations of the object in response to applied forces.

Basdogan, Cagatay↗
NASA NTRS1993

A hybrid Pade-Galerkin technique for differential equations

A three-step hybrid analysis technique, which successively uses the regular perturbation expansion method, the Pade expansion method, and then a Galerkin approximation, is presented and applied to some model boundary value problems. In the first step of the method, the regular perturbation method is used to construct an approximation to the solution in the form of a finite power series in a small parameter epsilon associated with the problem. In the second step of the method, the series approximation obtained in step one is used to construct a Pade approximation in the form of a rational function in the parameter epsilon. In the third step, the various powers of epsilon which appear in the Pade approximation are replaced by new (unknown) parameters (delta(sub j)). These new parameters are determined by requiring that the residual formed by substituting the new approximation into the governing differential equation is orthogonal to each of the perturbation coordinate functions used in step one. The technique is applied to model problems involving ordinary or partial differential equations. In general, the technique appears to provide good approximations to the solution even when the perturbation and Pade approximations fail to do so. The method is discussed and topics for future investigations are indicated.

Geer, James F.↗
NASA NTRS1976

The Relation of Finite Element and Finite Difference Methods

Finite element and finite difference methods are examined in order to bring out their relationship. It is shown that both methods use two types of discrete representations of continuous functions. They differ in that finite difference methods emphasize the discretization of independent variable, while finite element methods emphasize the discretization of dependent variable (referred to as functional approximations). An important point is that finite element methods use global piecewise functional approximations, while finite difference methods normally use local functional approximations. A general conclusion is that finite element methods are best designed to handle complex boundaries, while finite difference methods are superior for complex equations. It is also shown that finite volume difference methods possess many of the advantages attributed to finite element methods.

Vinokur, M.↗
DOE OSTI2019

On modeling subgrid-scale macro-structures in narrow twisted channels

Porosity-based subgrid topography models often fail to capture the effects of subgrid-scale topographic features in the interior of coarse grid cells. Existing approaches that modify bottom roughness or a drag coefficient are inadequate for macro-structures (large emergent or submerged obstacles) in subgrid-scale narrow twisted channels. Such structures partially block the cross-sectional area and provide enhanced topographic dissipation – effects that are not well represented by a drag coefficient that scales on a coarse-grid cell-averaged velocity and the cell volume. The relative alignment between mesh and flow further complicates this problem as it makes the subgrid model sensitive to mesh design. In the present study, three new approaches for simulating subgrid-scale macro-structures in narrow channels are proposed. The interior partial-blocking effect of structures is modeled as reduction of grid face-area. The sheltering of flow volumes around obstacles, which leads to topographic dissipation, is modeled by reducing the cell volume in the momentum equation (only). A mesh-shift procedure is designed to optimize mesh alignment for identifiable subgrid features. Combining the three subgrid methods improves the approximation of surface elevation and in-channel flow rate with a coarse-grid model. Tests are conducted for channelized flow using both synthetic domains and real marsh topography. Finally, the new methods reduce the overall mesh dependency of the subgrid model and provides stronger physical connection between effects of macro-structures and their geometry at coarse grid scales.

42 ENGINEERING↗
NASA NTRS1985

A hybrid numerical technique for predicting the aerodynamic and acoustic fields of advanced turboprops

A hybrid numerical procedure is presented for the prediction of the aerodynamic and acoustic performance of advanced turboprops. A hybrid scheme is proposed which in principle leads to a consistent simultaneous prediction of both fields. In the inner flow a finite difference method, the Approximate-Factorization Alternating-Direction-Implicit (ADI) scheme, is used to solve the nonlinear Euler equations. In the outer flow the linearized acoustic equations are solved via a Boundary-Integral Equation (BIE) method. The two solutions are iteratively matched across a fictitious interface in the flow so as to maintain continuity. At convergence the resulting aerodynamic load prediction will automatically satisfy the appropriate free-field boundary conditions at the edge of the finite difference grid, while the acoustic predictions will reflect the back-reaction of the radiated field on the magnitude of the loading source terms, as well as refractive effects in the inner flow. The equations and logic needed to match the two solutions are developed and the computer program implementing the procedure is described. Unfortunately, no converged solutions were obtained, due to unexpectedly large running times. The reasons for this are discussed and several means to alleviate the situation are suggested.

Homicz, G. F.↗
NASA NTRS1993

On the prediction of multigrid efficiency through local mode analysis

A single grid local mode analysis is used to predict the smoothing properties of numerical schemes for solving the Navier-Stokes equations with factorization based on Stone's Strongly Implicit Method. Four difference approximations for the convection terms are considered, namely, hybrid, central, second-order upwind, and third-order upwind. Smoothing factors from the analysis are compared with practical convergence factors in a multigrid method for flow over a backward facing step and it is found that the local mode analysis correctly predicts the effects of Reynolds number and higher-order schemes.

Wilson, R. V.↗
DOE OSTI2021

Numerically exact generalized Green's function cluster expansions for electron-phonon problems

We generalize the family of approximate momentum average methods to formulate a numerically exact, convergent hierarchy of equations whose solution provides an efficient algorithm to compute the Green's function of a particle dressed by bosons suitable in the entire parameter regime. We use this approach to extract ground-state properties and spectral functions. Our approximation-free framework, dubbed the generalized Green's function cluster expansion (GGCE), allows access to exact numerical results in the extreme adiabatic limit, where many standard methods struggle or completely fail. We showcase the performance of the method, specializing three important models of charge-boson coupling in solids and molecular complexes: the molecular Holstein model, which describes coupling between charge density and local distortions, the Peierls model, which describes modulation of charge hopping due to intersite distortions, and a more complex Holstein + Peierls system with couplings to two different phonon modes, paradigmatic of charge-lattice interactions in organic crystals. Furthermore, the GGCE serves as an efficient approach that can be systematically extended to different physical scenarios, thus providing a tool to model the frequency dependence of dressed particles in realistic settings.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1977

Composite methods for hyperbolic equations

A composite approximation procedure combining the properties of the Lax-Wendroff and leapfrog algorithms is proposed for solving hyperbolic equations. For a one-dimensional equation, a three-step approximation consisting of a two-step Richtmeyer method followed by a leapfrog step is considered. This is a two-level scheme, so all difficulties, including storage requirements, associated with the three-level leapfrog are eliminated. For two-dimensional problems a generalization of the preceding method is used consisting of a rotated Richtmeyer method followed by a modified leapfrog step. It is found that the composite schemes are effective in reducing oscillations and nonlinear instabilities that affect the leapfrog method. The dissipation in the composite schemes is much less than in the Richtmeyer algorithm, and hence can be used for long term integrations.

Turkel, E.↗
DOE OSTI2017

Dependence of the structure and dynamics of liquid silicon on the choice of density functional approximation

In addition to its technological relevance, silicon poses a challenge for first principles simulations because it undergoes a semiconductor-to-metal transition upon melting. Moreover, the resulting metallic liquid contains a mixture of metallic and covalent bonding. This coexistence of fundamentally different interactions is difficult to describe within approximate density functional methods, which oftentimes cannot accurately describe these two extremes simultaneously. Here, we report an investigation of the structure, dynamics, and thermodynamics of liquid silicon using ab initio molecular dynamics simulations with three density functional approximations: the local density approximation, the Perdew-Burke-Ernzerhof generalized gradient approximation, and the strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation. We demonstrate that SCAN describes this liquid with better accuracy than the other often-used functionals because it can simultaneously capture covalent and metallic bonding with similar high accuracy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗