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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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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Krylov Subspace Methods for Quantum Dynamics with Time-Dependent Generators

Krylov subspace methods in quantum dynamics identify the minimal subspace in which a process unfolds. To date, their use is restricted to time evolutions governed by time-independent generators. Here, we introduce a generalization valid for driven quantum systems governed by a time-dependent Hamiltonian that maps the evolution to a diffusion problem in a one-dimensional lattice with nearest-neighbor hopping probabilities that are inhomogeneous and time dependent. This representation is used to establish a novel class of fundamental limits to the quantum speed of evolution and operator growth. We also discuss generalizations of the algorithm, adapted to discretized time evolutions and periodic Hamiltonians, with applications to many-body systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Multilevel Techniques for Compression and Reduction of Scientific Data---The Multivariate Case

We develop a technique for multigrid adaptive reduction of data (MGARD). Special attention is given to the case of tensor product grids, where our approach permits the use of nonuniformly spaced grids in each direction, which can prove problematic for many types of data reduction methods. An important feature of our approach is the provision of guaranteed, computable bounds on the loss incurred by the reduction of the data. Many users are leery of lossy algorithms and will only consider using them provided that numerical bounds on the pointwise difference between the original and the reduced datasets are given. Accordingly, we develop techniques for bounding the loss measured in the $L^{\infty}(\Omega)$ norm, and we show that these bounds are realistic in the sense that they do not significantly overestimate the actual loss. Here, the resulting loss indicators are used to guide the adaptive reduction of the data so that the reduced dataset meets a user-prescribed tolerance or memory constraint. Illustrative numerical examples, including the reduction of data arising from the simulation of a nonlinear reaction-diffusion problem, a turbulent channel flow, and a climate simulation, are provided.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Low-Order Preconditioning for the High-Order Finite Element de Rham Complex

Here, we present a unified framework for constructing spectrally equivalent low-order-refined discretizations for the high-order finite element de Rham complex. This theory covers diffusion problems in H 1 , H(curl), and H(div) and is based on combining a low-order discretization posed on a refined mesh with a high-order basis for Nédélec and Raviart–Thomas elements that makes use of the concept of polynomial histopolation (polynomial fitting using prescribed mean values over certain regions). This spectral equivalence, coupled with algebraic multigrid methods constructed using the low-order discretization, results in highly scalable matrix-free preconditioners for high-order finite element problems in the full de Rham complex. Additionally, a new lowest-order (piecewise constant) preconditioner is developed for high-order interior penalty discontinuous Galerkin (DG) discretizations, for which spectral equivalence results and convergence proofs for algebraic multigrid methods are provided. In all cases, the spectral equivalence results are independent of polynomial degree and mesh size; for DG methods, they are also independent of the penalty parameter. These new solvers are flexible and easy to use; any “black-box” preconditioner for low-order problems can be used to create an effective and efficient preconditioner for the corresponding high-order problem. A number of numerical experiments are presented, based on an implementation in the finite element library MFEM. A range of challenging three-dimensional problems are used to corroborate the theoretical properties and demonstrate the flexibility and scalability of the method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Polypole Program For The Calculation Of Intra-granular Fission Gas Release

PolyPole is a numerical algorithm for the calculation of intra-granular fission gas release. In particular, the algorithm solves the gas diffusion problem in a fuel grain in time-varying conditions. The program has been extensively tested. PolyPole combines a high accuracy with a high computational efficiency and is ideally suited for application in fuel performance codes.

Pastore, Giovanni↗
DOE OSTI2023

AMG2023

The AMG2023 benchmark solves two diffusion problems with a linear solver preconditioned with algebraic multigrid. The code only contains a driver, a Makefile, and a documentation file. It requires an installation of the open source software library hypre that needs to be downloaded elsewhere and is not included here. Its purpose is to benchmark linear solver performance on high performance computers.

Li, Ruipeng↗
DOE OSTI2025

A two-level GPU-accelerated incomplete LU preconditioner for general sparse linear systems

This paper presents a parallel preconditioning approach based on incomplete LU (ILU) factorizations in the framework of Domain Decomposition (DD) for general sparse linear systems. We focus on distributed memory parallel architectures, specifically, those that are equipped with graphic processing units (GPUs). In addition to block-Jacobi, we present general purpose two-level ILU Schur complement-based approaches, where different strategies are presented to solve the coarse-level reduced system. These strategies are combined with modified ILU methods in the construction of the coarse-level operator, in order to effectively remove smooth errors by targeting an algebraically smooth vector. We leverage available GPU-based sparse matrix kernels to accelerate the setup and the solve phases of the proposed ILU preconditioner. We evaluate the efficiency of the proposed methods as a smoother for algebraic multigrid (AMG) and as a preconditioner for Krylov subspace methods on challenging anisotropic diffusion problems and a collection of general sparse matrices.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Efficient quadrature rules for finite element discretizations of nonlocal equations

In this paper we design efficient quadrature rules for finite element discretizations of nonlocal diffusion problems with compactly supported kernel functions. Two of the main challenges in nonlocal modeling and simulations are the prohibitive computational cost and the nontrivial implementation of discretization schemes, especially in three-dimensional settings. In this work we circumvent both challenges by introducing a parametrized mollifying function that improves the regularity of the integrand, utilizing an adaptive integration technique, and exploiting parallelization. We first showthat the “mollified” solution converges to the exact one as the mollifying parameter vanishes, then we illustrate the consistency and accuracy of the proposed method on several two- and three-dimensional test cases. Furthermore, we demonstrate the good scaling properties of the parallel implementation of the adaptive algorithm and we compare the proposed method with recently developed techniques for efficient finite element assembly.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Report on hypre performance on AMD GPUs

In this report, the performance of the algebraic multigrid solver used as a preconditioner for conjugate gradient is investigated on 2 nodes of Spock, an early access system at ORNL with 4 MI-100 GPUs and a 64-core Rome CPU per node. We compare GPU and CPU performance for three different diffusion problems using increasing problem sizes.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1972

Evaluating foam heterogeneity

New analytical tool is available to calculate the degree of foam heterogeneity based on the measurement of gas diffusivity values. Diffusion characteristics of plastic foam are described by a system of differential equations based on conventional diffusion theory. This approach saves research and computation time in studying mass or heat diffusion problems.

Liou, D. W.↗
NASA NTRS1978

Numerical method for boundary layers with blowing - The exponential box scheme

The paper describes a new numerical scheme based on exponential difference operator concepts combined with Keller's (1968) box scheme approach to produce a stable second-order accurate finite-difference scheme for convection-diffusion problems arising in boundary layer flows in the presence of massive injection through a porous surface. The technique is demonstrated by application to the self-similar boundary layer equations with massive blowing at the surface.

El-Mistikawy, T. M.↗
NASA NTRS1980

Bonding soft rubber or plasticized elastomers to metal

Approach using bond-cover coat of unplasticized rubber between soft rubber and adhesive eliminates diffusion problem. Approach is useful in making improved seals in automobile engines, industrial and public plumbing, and in other areas using soft-rubber-to-metal bonds. Seals and gaskets made this way would not have to be replaced very often, reducing cost of maintenance.

Clemons, J. M.↗
NASA NTRS1984

A variational formulation for time-dependent climate models

A variational principle for time dependent diffusion problems is presented and is demonstrated by applying it to simple seasonal climate models. Two cases are treated. The first, a North-Coakley-type model with constant properties, is used as a tutorial example for the application of the technique. For the second case, heat capacity and thermal conductivity are considered to be latitude dependent in order to treat the effects of land/ocean distribution on the seasonal temperature distribution over the earth. The variational equations are derived and approximate analytical solutions are developed which delineate the influences of the physical asymmetries of the hemispheres in producing an asymmetric annual cycle.

Smith, G. L.↗
NASA NTRS1984

Multigrid techniques for the numerical solution of the diffusion equation

An accurate numerical solution of diffusion problems containing large local gradients can be obtained with a significant reduction in computational time by using a multigrid computational scheme. The spatial domain is covered with sets of uniform square grids of different sizes. The finer grid patterns overlap the coarse grid patterns. The finite-difference expressions for each grid pattern are solved independently by iterative techniques. Two interpolation methods were used to establish the values of the potential function on the fine grid boundaries with information obtained from the coarse grid solution. The accuracy and computational requirements for solving a test problem by a simple multigrid and a multilevel-multigrid method were compared. The multilevel-multigrid method combined with a Taylor series interpolation scheme was found to be best.

Phillips, R. E.↗
NASA NTRS1987

Free-wake analysis of a rotor in hover

A numerical method based on the axisymmetric, incompressible Navier-Stokes equations is combined with a lifting surface code to predict the vortex wake of hovering rotors. The lifting surface code, AMI Hover, is used to obtain the circulation distribution on the blade. This circulation distribution is fed into the Navier-Stokes code to compute the vortex wake under this specified circulation distribution. An iteration approach is used between these two codes to converge the circulation distribution and the shape of the vortex wake. A relaxation scheme is developed to resolve the instability encountered among the tip vortices. A reconcentration scheme is used to solve the diffusion problem due to the strong artificial viscosity. The results from the present method are compared with experimental data obtained by smoke-flow visualization and hot-wire measurements for several rotor blade configurations. The comparisons show that the present method is able to predict the complex wake system shed by a hovering rotor.

Chen, C. S.↗
NASA NTRS1987

A computational study of the flowfield surrounding the Aeroassist Flight Experiment vehicle

A symmetric total variation diminishing (STVD) algorithm has been applied to the solution of the three-dimensional hypersonic flowfield surrounding the Aeroassist Flight Experiment (AFE) vehicle. Both perfect-gas and chemical nonequilibrium models have been used. The perfect-gas flows were computed at two different Reynolds numbers, including a flight trajectory point at maximum dynamic pressure, and on two different grids. Procedures for coupling the solution of the species continuity equations with the Navier-Stokes equations in the presence of chemical nonequilibrium are reviewed and tested on the forebody of the AFE and on the complete flowfield assuming noncatalytic wall and no species diffusion. Problems with the STVD algorithm unique to flows with variable thermodynamic properties (real gas) are identified and algorithm modifications are suggested. A potential heating problem caused by strong flow impingement on the nozzle lip in the near wake at 0-deg angle of attack has been identified.

Gnoffo, Peter A.↗
NASA NTRS1990

Interface preconditionings for domain-decomposed convection-diffusion operators

The performance of five different interface preconditionings for domain-decomposed convection-diffusion problems, including a novel one known as the spectral probe is tested in a three-dimensional parameter space consisting of mesh parameters, Reynolds number, and domain aspect ratio. The preconditioners are representative of the range of practically computable possibilities that have appeared in the literature for the treatment of nonoverlapping subdomains. Numerical examples show that no single preconditioner can be considered uniformly superior or uniformly inferior to the rest, but that knowledge of the particulars of the shape and strength of the convection is important in selecting among them in a given problem.

Chan, Tony F.↗
NASA NTRS1991

Characteristics-based methods applied to infinite Prandtl number thermal convection in the hard turbulent regime

Characteristics-based methods for the advection-diffusion equation are presented and directly applied to study thermal convection with extremely large Rayleigh number (Ra). It is shown that the operator-splitting method for advection-diffusion problems is very accurate for determining the advected field at extremely high Peclet number (Pe). The technique presented is considered to have great potential for solving advection-dominated problems, while the Langrangian method is more accurate for lower Pe. It is noted that the accuracy of these characteristics-based methods strongly depends on the quality of interpolation. The computational time for the operator-splitting method grows with the number of time steps employed. The Langrangian method was used for simulations of convection at very high Ra, up to 3 x 10 to the 9th, and time-dependent, thermal convection solutions were obtained for infinite Prandtl number.

Malevsky, A. V.↗
NASA NTRS1992

Upper bounds for convergence rates of vector extrapolation methods on linear systems with initial iterations

The application of the minimal polynomial extrapolation (MPE) and the reduced rank extrapolation (RRE) to a vector sequence obtained by the linear iterative technique x(sub j) + 1 = Ax(sub j) = b,j = 1,2,..., is considered. Both methods produce a two dimensional array of approximations s(sub n,k) to the solution of the system (I - A)x = b. Here, s(sub n,k) is obtained from the vectors x(sub j), n is less than or equal to j is less than or equal to n + k + 1. It was observed in an earlier publication by the first author that the sequence s(sub n,k), k = 1,2,..., for n greater than 0, but fixed, possesses better convergence properties than the sequence s(sub 0,k), k = 1,2,.... A detailed theoretical explanation for this phenomenon is provided in the present work. This explanation is heavily based on approximations by incomplete polynomials. It is demonstrated by numerical examples when the matrix A is sparse that cycling with s(sub n,k) for n greater than 0, but fixed, produces better convergence rates and costs less computationally than cycling with s(sub 0,k). It is also illustrated numerically with a convection-diffusion problem that the former may produce excellent results where the latter may fail completely. As has been shown in an earlier publication, the results produced by s(sub 0,k) are identical to the corresponding results obtained by applying the Arnoldi method or generalized minimal residual scheme (GMRES) to the system (I - A)x = b.

Sidi, Avram↗