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Stabilized FE simulation of prototype thermal-hydraulics problems with integrated adjoint-based capabilities

Journal of Computational Physics

Shadid, John N.; Smith, Thomas M.; Cyr, E.C.; Wildey, T.M.; Pawlowski, Roger P.

A critical aspect of applying modern computational solution methods to complex multiphysics systems of relevance to nuclear reactor modeling, is the assessment of the predictive capability of specific proposed mathematical models. In this respect the understanding of numerical error, the sensitivity of the solution to parameters associated with input data, boundary condition uncertainty, and mathematical models is critical. Additionally, the ability to evaluate and or approximate the model efficiently, to allow development of a reasonable level of statistical diagnostics of the mathematical model and the physical system, is of central importance. In this study we report on initial efforts to apply integrated adjoint-based computational analysis and automatic differentiation tools to begin to address these issues. The study is carried out in the context of a Reynolds averaged Navier-Stokes approximation to turbulent fluid flow and heat transfer using a particular spatial discretization based on implicit fully-coupled stabilized FE methods. Initial results are presented that show the promise of these computational techniques in the context of nuclear reactor relevant prototype thermal-hydraulics problems.

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TYPE Journal Article YEAR 2016
ScopusOSTIDOI

Scalable implicit incompressible resistive MHD with stabilized FE and fully-coupled Newton-Krylov-AMG

Computer Methods in Applied Mechanics and Engineering

Shadid, John N.; Pawlowski, Roger P.; Cyr, E.C.; Tuminaro, Raymond S.; Chacón, L.; Weber, Paula D.

The computational solution of the governing balance equations for mass, momentum, heat transfer and magnetic induction for resistive magnetohydrodynamics (MHD) systems can be extremely challenging. These difficulties arise from both the strong nonlinear, nonsymmetric coupling of fluid and electromagnetic phenomena, as well as the significant range of time- and length-scales that the interactions of these physical mechanisms produce. This paper explores the development of a scalable, fully-implicit stabilized unstructured finite element (FE) capability for 3D incompressible resistive MHD. The discussion considers the development of a stabilized FE formulation in context of the variational multiscale (VMS) method, and describes the scalable implicit time integration and direct-to-steady-state solution capability. The nonlinear solver strategy employs Newton-Krylov methods, which are preconditioned using fully-coupled algebraic multilevel preconditioners. These preconditioners are shown to enable a robust, scalable and efficient solution approach for the large-scale sparse linear systems generated by the Newton linearization. Verification results demonstrate the expected order-of-accuracy for the stabilized FE discretization. The approach is tested on a variety of prototype problems, that include MHD duct flows, an unstable hydromagnetic Kelvin-Helmholtz shear layer, and a 3D island coalescence problem used to model magnetic reconnection. Initial results that explore the scaling of the solution methods are also presented on up to 128K processors for problems with up to 1.8B unknowns on a CrayXK7.

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TYPE Journal Article YEAR 2016
ScopusOSTIDOI

Teko: A block preconditioning capability with concrete example applications in Navier-Stokes and MHD

SIAM Journal on Scientific Computing

Cyr, Eric C.; Shadid, John N.; Tuminaro, Raymond S.

This paper describes the design of Teko, an object-oriented C++ library for implementing advanced block preconditioners. Mathematical design criteria that elucidate the needs of block preconditioning libraries and techniques are explained and shown to motivate the structure of Teko. For instance, a principal design choice was for Teko to strongly reflect the mathematical statement of the preconditioners to reduce development burden and permit focus on the numerics. Additional mechanisms are explained that provide a pathway to developing an optimized production capable block preconditioning capability with Teko. Finally, Teko is demonstrated on fluid flow and magnetohydrodynamics applications. In addition to highlighting the features of the Teko library, these new results illustrate the effectiveness of recent preconditioning developments applied to advanced discretization approaches.

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TYPE Journal Article YEAR 2016
ScopusOSTIDOI

A new class of finite element variational multiscale turbulence models for incompressible magnetohydrodynamics

Journal of Computational Physics

Sondak, D.; Shadid, John N.; Oberai, A.A.; Pawlowski, Roger P.; Cyr, E.C.; Smith, Thomas M.

New large eddy simulation (LES) turbulence models for incompressible magnetohydrodynamics (MHD) derived from the variational multiscale (VMS) formulation for finite element simulations are introduced. The new models include the variational multiscale formulation, a residual-based eddy viscosity model, and a mixed model that combines both of these component models. Each model contains terms that are proportional to the residual of the incompressible MHD equations and is therefore numerically consistent. Moreover, each model is also dynamic, in that its effect vanishes when this residual is small. The new models are tested on the decaying MHD Taylor Green vortex at low and high Reynolds numbers. The evaluation of the models is based on comparisons with available data from direct numerical simulations (DNS) of the time evolution of energies as well as energy spectra at various discrete times. A numerical study, on a sequence of meshes, is presented that demonstrates that the large eddy simulation approaches the DNS solution for these quantities with spatial mesh refinement.

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TYPE Journal Article YEAR 2015
ScopusOSTIDOI

Towards efficient backward-in-time adjoint computations using data compression techniques

Computer Methods in Applied Mechanics and Engineering

Cyr, E.C.; Shadid, John N.; Wildey, T.

In the context of a posteriori error estimation for nonlinear time-dependent partial differential equations, the state-of-the-practice is to use adjoint approaches which require the solution of a backward-in-time problem defined by a linearization of the forward problem. One of the major obstacles in the practical application of these approaches is the need to store, or recompute, the forward solution to define the adjoint problem and to evaluate the error representation. This study considers the use of data compression techniques to approximate forward solutions employed in the backward-in-time integration. The development derives an error representation that accounts for the difference between the standard-approach and the compressed approximation of the forward solution. This representation is algorithmically similar to the standard representation and only requires the computation of the quantity of interest for the forward solution and the data-compressed reconstructed solution (i.e.scalar quantities that can be evaluated as the forward problem is integrated). This approach is then compared with existing techniques, such as checkpointing and time-averaged adjoints. Finally, we provide numerical results indicating the potential efficiency of our approach on a transient diffusion-reaction equation and on the Navier-Stokes equations. These results demonstrate memory compression ratios up to 450× while maintaining reasonable accuracy in the error-estimates.

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TYPE Journal Article YEAR 2015
ScopusOSTIDOI
Results 101–150 of 268
Results 101–150 of 268