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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 469 records · Page 26

Scientific Data Compression for Large Scale Computational Fluid Dynamics (CFD) Simulations

This Cooperative Research and Development Agreement (CRADA) between Oak Ridge National Laboratory (ORNL) and General Electric (GE) investigated methods for reducing the size of large computational fluid dynamics (CFD) simulation datasets using scientific data compression techniques. The work focused on adapting the MultiGrid Adaptive Reduction of Data (MGARD) compression framework and integrating it with high-performance I/O and visualization tools used in CFD workflows. MGARD uses hierarchical multilevel decomposition to enable error-controlled compression of floating-point scientific data while preserving quantities of interest. During the project, MGARD compression was integrated with the ADIOS I/O framework and visualization tools such as ParaView to enable efficient storage, transfer, and analysis of simulation data. The collaboration also explored approaches for improving compression performance for CFD data defined on unstructured meshes. Results demonstrate that scientific data compression can significantly reduce storage requirements and improve data management for large-scale CFD simulations.

97 MATHEMATICS AND COMPUTING↗

Fast solvers for tokamak fluid models with PETSc

Multigrid (MG) is widely recognized as a highly effective solver for the model problem, the Laplacian, but textbook MG fails on most problems of interest. MG methods have been applied to complex, real-world applications with careful consideration of the physical model and discretization. In this work we develop the first step in applying MG methods to science and engineering relevant magnetohydrodynamics (MHD) tokamak models in the M3D-C1 (https://m3dc1.pppl.gov) fusion energy science code. The semi-implicit time integrator in M3D-C1 is composed of many linear solves. The implicit advance of the momentum equation is the most challenging and is the focus of this work. The current production solver in M3D-C1 is a block Jacobi (BJ) preconditioner within a Krylov solver, where blocks group degrees of freedom on planes of constant toroidal coordinate. BJ convergence degrades as the number of planes increases due to the spectral properties of the matrix preconditioned with BJ. The partially magnetic field-aligned, regular toroidal grid structure in M3D-C1 is amenable to semi-coarsening geometric MG in the toroidal direction. This paper develops such a solver and demonstrates competitive performance on a runaway electron model of a SPARC (https://cfs.energy/technology/sparc) disruption, and superior robustness on a stellarator model on which the BJ solver fails to converge.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Hierarchical Gaussian Random Field Sampling for Multilevel Markov Chain Monte Carlo: Coupling Stochastic Partial Differential Equation and the Karhunen–Loève Decomposition

This work introduces structure preserving hierarchical decompositions for sampling Gaussian random fields (GRFs) within the context of multilevel Bayesian inference in high-dimensional space. Existing scalable hierarchical sampling methods, such as those based on stochastic partial differential equations (SPDEs), often reduce the dimensionality of the sample space at the cost of accuracy of inference. Other approaches, such that those based on Karhunen-Loève (KL) expansions, offer sample space dimensionality reduction but sacrifice GRF representation accuracy and ergodicity of the Markov chain Monte Carlo (MCMC) sampler and are computationally expensive for high-dimensional problems. The proposed method integrates the dimensionality reduction capabilities of KL expansions with the scalability of SPDE-based sampling, thereby providing a robust, unified framework for high-dimensional uncertainty quantification (UQ) that is scalable and accurate, preserves ergodicity, and offers dimensionality reduction of the sample space. The hierarchy in our multilevel algorithm is derived from the geometric multigrid hierarchy. By constructing a hierarchical decomposition that maintains the covariance structure across the levels in the hierarchy, the approach enables efficient coarse-to-fine sampling while ensuring that all samples are drawn from the desired distribution. The effectiveness of the proposed method is demonstrated on a benchmark subsurface flow problem, demonstrating its effectiveness in improving computational efficiency and statistical accuracy. Furthermore, our proposed technique is more efficient and accurate and displays better convergence properties than existing methods for high-dimensional Bayesian inference problems.

Gaussian random fields↗

Parallel multilevel adaptive methods

The progress of a project for the design and analysis of a multilevel adaptive algorithm (AFAC/HM/) targeted for the Navier Stokes Computer is discussed. The results of initial timing tests of AFAC, coupled with multigrid and an efficient load balancer, on a 16-node Intel iPSC/2 hypercube are included. The results of timing tests are presented.

Dowell, B.↗

A multiblock multigrid three-dimensional Euler equation solver

Current aerodynamic designs are often quite complex (geometrically). Flexible computational tools are needed for the analysis of a wide range of configurations with both internal and external flows. In the past, geometrically dissimilar configurations required different analysis codes with different grid topologies in each. The duplicity of codes can be avoided with the use of a general multiblock formulation which can handle any grid topology. Rather than hard wiring the grid topology into the program, it is instead dictated by input to the program. In this work, the compressible Euler equations, written in a body-fitted finite-volume formulation, are solved using a pseudo-time-marching approach. Two upwind methods (van Leer's flux-vector-splitting and Roe's flux-differencing) were investigated. Two types of explicit solvers (a two-step predictor-corrector and a modified multistage Runge-Kutta) were used with multigrid acceleration to enhance convergence. A multiblock strategy is used to allow greater geometric flexibility. A report on simple explicit upwind schemes for solving compressible flows is included.

Cannizzaro, Frank E.↗

A Parallel Incompressible Navier-Stokes Solver with Multigrid Iterations

We developed a parallel, numerically accurate and stable, and computationally efficient finate-difference incompressible Navier-Stokes (N-S) fluid flow solver. The solver runs on both sequential and massively parallel computers. The numerical method used here is a second-order projection method on a staggered grid. The code is highly modular and it can be used either as a stand-alone flow solver and or a template code which can be adapted or expanded to a specific application. Numerical results and parallel performances of our code on Intel Delta and Paragon are reported.

Navier-Stokes solver↗

Development of an explicit multigrid algorithm for quasi-three-dimensional viscous flows in turbomachinery

A rapid quasi three-dimensional analysis was developed for blade-to-blade flows in turbomachinery. The analysis solves the unsteady Euler or thin layer Navier-Stokes equations in a body-fitted coordinate system. It accounts for the effects of rotation, radius change, and stream-surface thickness. The Baldwin-Lomax eddy-viscosity model is used for turbulent flows. The equations which are solved b a two-stage Runge-Kutta scheme made efficient by use of vectorization, a variable time-step, and a flux-based multigrid scheme, are described. A stability analysis is presented for the two-stage. Results for a flat-plate model problem show the applicability of the method to axial, radial, and rotating geometries. Results for a centrifugal impeller and a radial diffuser show that the quasi three-dimensional viscous analysis can be a practical design tool.

Chima, R. V.↗

Spectral element multigrid. Part 2: Theoretical justification

A multigrid algorithm is analyzed which is used for solving iteratively the algebraic system resulting from tha approximation of a second order problem by spectral or spectral element methods. The analysis, performed here in the one dimensional case, justifies the good smoothing properties of the Jacobi preconditioner that was presented in Part 1 of this paper.

Maday, Yvon↗

Spectral element miltigrid. II - Theoretical justification

A multigrid algorithm is analyzed which is used for solving iteratively the algebraic system resulting from the approximation of a second order problem by spectral or spectral element methods. The analysis, performed here in the one-dimensional case, justifies the good smoothing properties of the Jacobi preconditioner that was presented in Part 1 of this paper.

Maday, Yvon↗

Generalized Bootstrap AMG and AIR-AMG for coupled PDE systems with a focus on spacetime discretizatoins

The Pennsylvania State University (“Subcontractor”) has worked on the design of new algebraic, parallel, multilevel methods that obtain the full space and time solution of systems of PDEs. In particular, the PI and his collaborators explored semi-intrusive approaches based on algebraic multigrid (AMG). The focus of the research has been on the development of these techniques for the Euler equations in 1d and 2d. The overall research focused on the development of adaptive AIR (approximate ideal restriction) AMG solvers for these problems. The PI also explored the use of smoothed aggregation and root-node energy-based AMG solvers for these problems.

97 MATHEMATICS AND COMPUTING↗

Development of an explicit multigrid algorithm for quasi-three-dimensional viscous flows in turbo-machinery

A rapid quasi three-dimensional analysis was developed for blade-to-blade flows in turbomachinery. The analysis solves the unsteady Euler or thin layer Navier-Stokes equations in a body-fitted coordinate system. It accounts for the effects of rotation, radius change, and stream-surface thickness. The Baldwin-Lomax eddy-viscosity model is used for turbulent flows. The equations which are solved by a two-stage Runge-Kutta scheme made efficient by use of vectorization, a variable time-step, and a flux-based multigrid scheme, are described. A stability analysis is presented for the two-stage scheme. Results for a flat-plate model problem show the applicability of the method to axial, radial, and rotating geometries. Results for a centrifugal impeller and a radial diffuser show that the quasi three-dimensional viscous analysis can be a practical design tool.

Chima, R. V.↗

Multitasking a three-dimensional Navier-Stokes algorithm on the Cray-2

A three-dimensional computational aerodynamics algorithm has been multitasked for efficient parallel execution on the Cray-2. It provides a means for examining the multitasking performance of a complete CFD application code. An embedded zonal multigrid scheme is used to solve the Reynolds-averaged Navier-Stokes equations for an internal flow model problem. The explicit nature of each component of the method allows a spatial partitioning of the computational domain to achieve a well-balanced task load for MIMD computers with vector-processing capability. Experiments have been conducted with both two- and three-dimensional multitasked cases. The best speedup attained by an individual task group was 3.54 on four processors of the Cray-2, while the entire solver yielded a speedup of 2.67 on four processors for the three-dimensional case. The multiprocessing efficiency of various types of computational tasks is examined, performance on two Cray-2s with different memory access speeds is compared, and extrapolation to larger problems is discussed.

Swisshelm, Julie M.↗

Parallel Multigrid in Time and Space for Extreme-Scale Computational Science

The coming massive parallelism of exascale computing presents a pressing challenge for the many DOE simulations of time-dependent partial differential equations, which typically use traditional sequential time stepping methods. Since this traditional approach is inherently serial, it presents a sequential bottleneck when moving to exascale computing, because future performance gains will come through greater concurrency, not faster clock speeds. Thus, the goal of this work is to research parallelism in time, i.e., methods that compute multiple time values simultaneously, not sequentially. The focus will be on hyperbolic and chaotic problems of programmatic interest to DOE, with the goal of enabling scalable simulations of time-dependent hyperbolic and chaotic problems on future architectures.

97 MATHEMATICS AND COMPUTING↗

Simulation of 24,000 Electron Dynamics: Real-Time Time-Dependent Density Functional Theory (TDDFT) with the Real-Space Multigrids (RMG)

Here, we present the theory, implementation, and benchmarking of a real-time time-dependent density functional theory (RT-TDDFT) module within the RMG code, designed to simulate the electronic response of molecular systems to external perturbations. Our method offers insights into nonequilibrium dynamics and excited states across a diverse range of systems, from small organic molecules to large metallic nanoparticles. Benchmarking results demonstrate excellent agreement with established TDDFT implementations and showcase the superior stability of our time integration algorithm, enabling long-term simulations with minimal energy drift. The scalability and efficiency of RMG on massively parallel architectures allow for simulations of complex systems, such as plasmonic nanoparticles with thousands of atoms. Future extensions, including nuclear and spin dynamics, will broaden the applicability of this RT-TDDFT implementation, providing a powerful toolset for studies of photoactive materials, nanoscale devices, and other systems where real-time electronic dynamics is essential.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Airfoil optimization by the one-shot method

An efficient numerical approach for the design of optimal aerodynamic shapes is presented in this paper. The objective of any optimization problem is to find the optimum of a cost function subject to a certain state equation (Governing equation of the flow field) and certain side constraints. As in classical optimal control methods, the present approach introduces a costate variable (Language multiplier) to evaluate the gradient of the cost function. High efficiency in reaching the optimum solution is achieved by using a multigrid technique and updating the shape in a hierarchical manner such that smooth (low-frequency) changes are done separately from high-frequency changes. Thus, the design variables are changed on a grid where their changes produce nonsmooth (high-frequency) perturbations that can be damped efficiently by the multigrid. The cost of solving the optimization problem is approximately two to three times the cost of the equivalent analysis problem.

Kuruvila, G.↗

Implicit/Multigrid Algorithms for Incompressible Turbulent Flows on Unstructured Grids

An implicit code for computing inviscid and viscous incompressible flows on unstructured grids is described. The foundation of the code is a backward Euler time discretization for which the linear system is approximately solved at each time step with either a point implicit method or a preconditioned Generalized Minimal Residual (GMRES) technique. For the GMRES calculations, several techniques are investigated for forming the matrix-vector product. Convergence acceleration is achieved through a multigrid scheme that uses non-nested coarse grids that are generated using a technique described in the present paper. Convergence characteristics are investigated and results are compared with an exact solution for the inviscid flow over a four-element airfoil. Viscous results, which are compared with experimental data, include the turbulent flow over a NACA 4412 airfoil, a three-element airfoil for which Mach number effects are investigated, and three-dimensional flow over a wing with a partial-span flap.

Anderson, W. Kyle↗

Airfoil Design and Optimization by the One-Shot Method

An efficient numerical approach for the design of optimal aerodynamic shapes is presented in this paper. The objective of any optimization problem is to find the optimum of a cost function subject to a certain state equation (governing equation of the flow field) and certain side constraints. As in classical optimal control methods, the present approach introduces a costate variable (Lagrange multiplier) to evaluate the gradient of the cost function. High efficiency in reaching the optimum solution is achieved by using a multigrid technique and updating the shape in a hierarchical manner such that smooth (low-frequency) changes are done separately from high-frequency changes. Thus, the design variables are changed on a grid where their changes produce nonsmooth (high-frequency) perturbations that can be damped efficiently by the multigrid. The cost of solving the optimization problem is approximately two to three times the cost of the equivalent analysis problem.

Kuruvila, G.↗

End-to-end GPU acceleration of low-order-refined preconditioning for high-order finite element discretizations

In this article, we present algorithms and implementations for the end-to-end GPU acceleration of matrix-free low-order-refined preconditioning of high-order finite element problems. The methods described here allow for the construction of effective preconditioners for high-order problems with optimal memory usage and computational complexity. The preconditioners are based on the construction of a spectrally equivalent low-order discretization on a refined mesh, which is then amenable to, for example, algebraic multigrid preconditioning. The constants of equivalence are independent of mesh size and polynomial degree. For vector finite element problems in H(curl) and H(div) (e.g., for electromagnetic or radiation diffusion problems), a specially constructed interpolation–histopolation basis is used to ensure fast convergence. Detailed performance studies are carried out to analyze the efficiency of the GPU algorithms. The kernel throughput of each of the main algorithmic components is measured, and the strong and weak parallel scalability of the methods is demonstrated. The different relative weighting and significance of the algorithmic components on GPUs and CPUs is discussed. Results on problems involving adaptively refined nonconforming meshes are shown, and the use of the preconditioners on a large-scale magnetic diffusion problem using all spaces of the finite element de Rham complex is illustrated.

97 MATHEMATICS AND COMPUTING↗