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At least 469 records · Page 26

Review of Bison Usage in VERA

Bison is being used in VERA in a variety of ways; this milestone will document an independent review of the current usage of Bison and provide guidance that will improve the accuracy, performance, and consistency in the ways that Bison is used. This task will entail running a suite of small, single and multi-cycle problems with VERA-CS, followed by Bison, and Tiamat (inline) and evaluating the usage. It will also entail performing several detailed ramp to full power solutions to compare the one-way coupled solver with the fully-coupled Tiamat. This will include at least one iteration with the PHI team to incorporate some of the feedback and improve the usage. This work will also be completed in conjunction with an FMC task to evaluate the ability of Bison to model load-follow in a PWR

97 MATHEMATICS AND COMPUTING↗

Time-accurate Navier-Stokes calculations with multigrid acceleration

A numerical scheme to solve the unsteady Navier-Stokes equations is described. The scheme is implemented by modifying the multigrid-multiblock version of the steady Navier-Stokes equations solver, TLNS3D. The scheme is fully implicit in time and uses TLNS3D to iteratively invert the equations at each physical time step. The design objective of the scheme is unconditional stability (at least for first- and second-order discretizations of the physical time derivatives). With unconditional stability, the choice of the time step is based on the physical phenomena to be resolved rather than limited by numerical stability which is especially important for high Reynolds number viscous flows, where the spatial variation of grid cell size can be as much as six orders of magnitude. An analysis of the iterative procedure and the implementation of this procedure in TLNS3D are discussed. Numerical results are presented to show both the capabilities of the scheme and its speed up relative to the use of global minimum time stepping. Reductions in computational times of an order of magnitude are demonstrated.

Melson, N. Duane↗

Structural/aerodynamic Blade Analyzer (SAB) User's Guide, Version 1.0

The structural/aerodynamic blade (SAB) analyzer provides an automated tool for the static-deflection analysis of turbomachinery blades with aerodynamic and rotational loads. A structural code calculates a deflected blade shape using aerodynamic loads input. An aerodynamic solver computes aerodynamic loads using deflected blade shape input. The two programs are iterated automatically until deflections converge. Currently, SAB version 1.0 is interfaced with MSC/NASTRAN to perform the structural analysis and PROP3D to perform the aerodynamic analysis. This document serves as a guide for the operation of the SAB system with specific emphasis on its use at NASA Lewis Research Center (LeRC). This guide consists of six chapters: an introduction which gives a summary of SAB; SAB's methodology, component files, links, and interfaces; input/output file structure; setup and execution of the SAB files on the Cray computers; hints and tips to advise the user; and an example problem demonstrating the SAB process. In addition, four appendices are presented to define the different computer programs used within the SAB analyzer and describe the required input decks.

Morel, M. R.↗

Coupling CFD and Material Response for Analysis of Mars Entry

In computing the response of an ablating thermal protection system during atmospheric entry, the aerothermal environment and material response are generally computed separately with a blowing correction term in the material response model to account for the blowing of char and pyrolysis gases [1]. In this work, we apply a coupled approach in which pyrolysis blowing gases, computed in the PATO material response code [2], are used with a blowing boundary condition in the DPLR hypersonic CFD code [3]. This leads to an iterative method in which blowing products from PATO are input into DPLR to update surface heating estimates. The full iterative method, with the addition of radiative heating estimates using the NEQAIR radiation solver [4], is shown in Fig. 1. The method is demonstrated on a sphere case with the environment and material properties based on the Mars Science Laboratory entry. Future work includes utilizing this method in computing full 3D material response during the Mars 2020 entry.

Heat Transfer↗

Coupling CFD and Material Response for Analysis of Mars Entry

In computing the response of an ablating thermal protection system during atmospheric entry, the aerothermal environment and material response are generally computed separately with a blowing correction term in the material response model to account for the blowing of char and pyrolysis gases. In this work, we apply a coupled approach in which pyrolysis blowing gases, computed in the PATO material response code, are used with a blowing boundary condition in the DPLR hypersonic CFD code. This leads to an iterative method in which blowing products from PATO are input into DPLR to update surface heating estimates. The full iterative method, with the addition of radiative heating estimates using the NEQAIR radiation solver, is shown in Fig. 1. The method is demonstrated on a sphere case with the environment and material properties based on the Mars Science Laboratory entry. Future work includes utilizing this method in computing full 3D material response during the Mars 2020 entry.

Ablation↗

Application of direct solvers to unstructured meshes for the Euler and Navier-Stokes equations using upwind schemes

The application of Newton iteration to inviscid and viscous airfoil calculations on unstructured meshes is examined. A cell-centered finite volume scheme is employed on an unstructured mesh consisting of triangles. Roe's flux difference splitting scheme is used to compute the inviscid fluxes. Higher order accuracy is achieved by an interpolation procedure that makes use of auxiliary gradients. The efficient solution of the sparse linear system of equations which arises upon linearization in time is addressed. Results are presented for inviscid and viscous test cases. The complications which arise due to the introduction of nonlinear limiters are addressed.

Venkatakrishnan, V.↗

s-Step Krylov Subspace Methods as Bottom Solvers for Geometric Multigrid

Geometric multigrid solvers within adaptive mesh refinement (AMR) applications often reach a point where further coarsening of the grid becomes impractical as individual sub domain sizes approach unity. At this point the most common solution is to use a bottom solver, such as BiCGStab, to reduce the residual by a fixed factor at the coarsest level. Each iteration of BiCGStab requires multiple global reductions (MPI collectives). As the number of BiCGStab iterations required for convergence grows with problem size, and the time for each collective operation increases with machine scale, bottom solves in large-scale applications can constitute a significant fraction of the overall multigrid solve time. In this paper, we implement, evaluate, and optimize a communication-avoiding s-step formulation of BiCGStab (CABiCGStab for short) as a high-performance, distributed-memory bottom solver for geometric multigrid solvers. This is the first time s-step Krylov subspace methods have been leveraged to improve multigrid bottom solver performance. We use a synthetic benchmark for detailed analysis and integrate the best implementation into BoxLib in order to evaluate the benefit of a s-step Krylov subspace method on the multigrid solves found in the applications LMC and Nyx on up to 32,768 cores on the Cray XE6 at NERSC. Overall, we see bottom solver improvements of up to 4.2x on synthetic problems and up to 2.7x in real applications. This results in as much as a 1.5x improvement in solver performance in real applications.

97 MATHEMATICS AND COMPUTING↗

Rapid finite-difference computation of subsonic and transonic aerodynamic flows

Rapid iterative (or semidirect) computation methods are developed for the finite-difference solution of the nonlinear equations of subsonic and transonic aerodynamics. At each iteration, a fast, direct elliptic algorithm solves the entire computation field. In an application to subsonic flow over a lifting airfoil, the full nonlinear stream-function equation is solved. Finally, a direct Cauchy-Riemann solver is used for the nonlinear transonic small-disturbance equations for a biconvex airfoil. At M = 0.7, t/c = 0.1 (subcritical), three iterations on a 39 x 32 mesh (totaling 2.45 sec on an IBM 360/67 computer) obtain convergence within 0.1%. A slightly supercritical case requires seven iterations (6.75 sec) for convergence within 1%.

Martin, E. D.↗

Compressed basis GMRES on high-performance graphics processing units

Krylov methods provide a fast and highly parallel numerical tool for the iterative solution of many large-scale sparse linear systems. To a large extent, the performance of practical realizations of these methods is constrained by the communication bandwidth in current computer architectures, motivating the investigation of sophisticated techniques to avoid, reduce, and/or hide the message-passing costs (in distributed platforms) and the memory accesses (in all architectures). This article leverages Ginkgo’s memory accessor in order to integrate a communication-reduction strategy into the (Krylov) GMRES solver that decouples the storage format (i.e., the data representation in memory) of the orthogonal basis from the arithmetic precision that is employed during the operations with that basis. Given that the execution time of the GMRES solver is largely determined by the memory accesses, the cost of the datatype transforms can be mostly hidden, resulting in the acceleration of the iterative step via a decrease in the volume of bits being retrieved from memory. Together with the special properties of the orthonormal basis (whose elements are all bounded by 1), this paves the road toward the aggressive customization of the storage format, which includes some floating-point as well as fixed-point formats with mild impact on the convergence of the iterative process. We develop a high-performance implementation of the “compressed basis GMRES” solver in the Ginkgo sparse linear algebra library using a large set of test problems from the SuiteSparse Matrix Collection. We demonstrate robustness and performance advantages on a modern NVIDIA V100 graphics processing unit (GPU) of up to 50% over the standard GMRES solver that stores all data in IEEE double-precision.

97 MATHEMATICS AND COMPUTING↗

WE-AB-207A-08: BEST IN PHYSICS (IMAGING): Advanced Scatter Correction and Iterative Reconstruction for Improved Cone-Beam CT Imaging On the TrueBeam Radiotherapy Machine

Purpose: To improve CBCT image quality for image-guided radiotherapy by applying advanced reconstruction algorithms to overcome scatter, noise, and artifact limitations Methods: CBCT is used extensively for patient setup in radiotherapy. However, image quality generally falls short of diagnostic CT, limiting soft-tissue based positioning and potential applications such as adaptive radiotherapy. The conventional TrueBeam CBCT reconstructor uses a basic scatter correction and FDK reconstruction, resulting in residual scatter artifacts, suboptimal image noise characteristics, and other artifacts like cone-beam artifacts. We have developed an advanced scatter correction that uses a finite-element solver (AcurosCTS) to model the behavior of photons as they pass (and scatter) through the object. Furthermore, iterative reconstruction is applied to the scatter-corrected projections, enforcing data consistency with statistical weighting and applying an edge-preserving image regularizer to reduce image noise. The combined algorithms have been implemented on a GPU. CBCT projections from clinically operating TrueBeam systems have been used to compare image quality between the conventional and improved reconstruction methods. Planning CT images of the same patients have also been compared. Results: The advanced scatter correction removes shading and inhomogeneity artifacts, reducing the scatter artifact from 99.5 HU to 13.7 HU in a typical pelvis case. Iterative reconstruction provides further benefit by reducing image noise and eliminating streak artifacts, thereby improving soft-tissue visualization. In a clinical head and pelvis CBCT, the noise was reduced by 43% and 48%, respectively, with no change in spatial resolution (assessed visually). Additional benefits include reduction of cone-beam artifacts and reduction of metal artifacts due to intrinsic downweighting of corrupted rays. Conclusion: The combination of an advanced scatter correction with iterative reconstruction substantially improves CBCT image quality. It is anticipated that clinically acceptable reconstruction times will result from a multi-GPU implementation (the algorithms are under active development and not yet commercially available). All authors are employees of and (may) own stock of Varian Medical Systems.

60 APPLIED LIFE SCIENCES↗

PYRANDA

Pyranda Is fortran 90 code which solves compact finite difference equations on a three dimensional fortran arrays, domain decomposed using the Message Passing Interface (MPI). The fortran source solves the linear system of equations which forms a pentadtagona1 matrix. Derivatives are used to construct hyperbolic partlal differential equation (PDE) operators, namely gradient, divergence, Laplacian, and curl operators. 5. Solution Method: The library provides a python Interface which facilitates problem setup and description. However, the core solver Is written in the fortran 90 language. The solver couples MPI communication and linear solves together so that a direct (non-iterative) solution to the linear system of equations can be computed with minimal communication. Domain decomposition is limited to a uniform data size but provides perfect load balancing. 6. Computer for which the code Is written:

Olson, BrittonJ.↗

Improvements to CTF for Modeling of Boiling Water Reactor Geometry and Operating Conditions

This report documents work done to improve CTF modeling of boiling water reactor (BWR) designs during FY 2020. Several improvements were made to the geometry modeling capabilities, including adding support for modeling of inlet flow orifices, axially varying large water rods, channel boxes with large corner round radii, and quarter symmetry models. Work was also done to improve on the numerical stability and run-time performance of CTF in Virtual Environment for Reactor Applications (VERA) for core-scale BWR problems. An outer iteration loop was implemented that ensures mass and energy are conserved before moving on to the next time step in the solution. The ability to use a direct solver for the pressure matrix was also added, which reduces the matrix solution error and improves code stability and run-time performance. Improvements to the pressure balance iteration loop were needed to allow CTF to be used in a coupled VERA solution of a model of Hatch that was developed. Finally, various improvements have led to a 2×reduction in the total VERA walltime for the Hatch model.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Counterrotating prop-fan simulations which feature a relative-motion multiblock grid decomposition enabling arbitrary time-steps

Improvements are presented of a computer algorithm developed for the time-accurate flow analysis of rotating machines. The flow model is a finite volume method utilizing a high-resolution approximate Riemann solver for interface flux definitions. The numerical scheme is a block LU implicit iterative-refinement method which possesses apparent unconditional stability. Multiblock composite gridding is used to orderly partition the field into a specified arrangement of blocks exhibiting varying degrees of similarity. Block-block relative motion is achieved using local grid distortion to reduce grid skewness and accommodate arbitrary time step selection. A general high-order numerical scheme is applied to satisfy the geometric conservation law. An even-blade-count counterrotating unducted fan configuration is chosen for a computational study comparing solutions resulting from altering parameters such as time step size and iteration count. The solutions are compared with measured data.

Janus, J. Mark↗

Multigrid Methods for EHL Problems

In many bearings and contacts, forces are transmitted through thin continuous fluid films which separate two contacting elements. Objects in contact are normally subjected to friction and wear which can be reduced effectively by using lubricants. If the lubricant film is sufficiently thin to prevent the opposing solids from coming into contact and carries the entire load, then we have hydrodynamic lubrication, where the lubricant film is determined by the motion and geometry of the solids. However, for loaded contacts of low geometrical conformity, such as gears, rolling contact bearings and cams, this is not the case due to high pressures and this is referred to as Elasto-Hydrodynamic Lubrication (EHL) In EHL, elastic deformation of the contacting elements and the increase in fluid viscosity with pressure are very significant and cannot be ignored. Since the deformation results in changing the geometry of the lubricating film, which in turn determines the pressure distribution, an EHL mathematical model must simultaneously satisfy the complex elasticity (integral) and the Reynolds lubrication (differential) equations. The nonlinear and coupled nature of the two equations makes numerical calculations computationally intensive. This is especially true for highly loaded problems found in practice. One novel feature of these problems is that the solution may exhibit sharp pressure spikes in the outlet region. To this date both finite element and finite difference methods have been used to solve EHL problems with perhaps greater emphasis on the use of the finite difference approach. In both cases, a major computational difficulty is ensuring convergence of the nonlinear equations solver to a steady state solution. Two successful methods for achieving this are direct iteration and multigrid methods. Direct iteration methods (e.g Gauss Seidel) have long been used in conjunction with finite difference discretizations on regular meshes. Perhaps one of the best examples of the application of such methods is the recent Effective Influence Method of Dowson and Wang. Multigrid methods have also been used with great success by Venner and Venner and Lubrecht with a good summary being given by Venner. As both these finite difference discretization based approaches appear to provide an efficient way of solving EHL problems, it is important to understand their relative merits. This paper is a first attempt at providing such an understanding in the context of EHL point contact problem, (contact of two spheres), in which the contact zone is a point and an ellipse or circle for unloaded and loaded dry contacts respectively. Since the film thickness and the contact width are generally small compared to the local radius of curvature of the two surfaces, the reduced geometry of the surfaces in the contact area can be accurately approximated to the contact between a paraboloid and a flat surface. The layout of the remainder of this paper is as follows. In section 2 we introduce the form of the equations to be solved. The Effective Influence Newton Method is described in Section 3 while Section 4 describes the Multigrid method to be used. Sections 5 and 6 describe the test problems to be used in the comparison between the two methods and compare the performance of the two methods. Section 7 concludes the paper with an argument of the two methods and suggests some future research directions.

Nurgat, Elyas↗

Deep Neural Network Based Convergence Classification for Computational Fluid Dynamics

A supervised deep learning approach is coupled with heuristic convergence criteria to construct a classification model for detecting the completion (convergence) of computational fluid dynamics (CFD) simulations. Heuristic convergence criteria alone are not always sufficient and more complex decisions are often left to a human analyst. The proposed approach leverages heuristic convergence criteria as well as two deep neural network (DNN) models, one binary and one multi-class, to improve the efficiency and consistency of convergence classification across a wide range of flight regimes. The DNN models presented are each trained on a subset of ascent aerodynamic CFD simulations for NASA’s Space Launch System and were produced using NASA’s unstructured Navier-Stokes solver FUN3D. Individual solutions are analyzed intermittently and are classified as sufficiently converged, further iterations required, or switch from steady Reynolds Averaged Navier-Stokes (RANS) to unsteady RANS CFD based on the iterative histories of four aerodynamic coefficients. The implemented classification model is shown to produce solutions that closely correlate to solutions produced by a human analyst. This work lays groundwork for expanding the capabilities of DNNs for automating and improving more of the CFD process.

SLS↗

On a fully-implicit VMS-stabilized FE formulation for low Mach number compressible resistive MHD with application to MCF

This study presents the development and evaluation of a fully-implicit variational multiscale (VMS) stabilized unstructured finite element (FE) formulation for compressible magnetohydrodynamics (MHD) model, at low Mach number regime. The model describes the dynamics of a compressible conducting fluid in the low Mach number limit in the presence of electromagnetic fields and can be used to study aspects of astrophysical phenomena, important science and technology applications, and basic plasma physics phenomena. The specific applications that motivate this study are macroscopic simulations of the longer time-scale stability and disruptions of magnetic confinement fusion (MCF) devices, specifically the ITER tokamak. The discussion considers the development of the VMS FE representation, the structure of the stabilizing terms that deal with significant convective flows, the stabilization of the nearly incompressible response of the fluid flow, and the stabilization of the constraint that enforces the solenoidal involution on the magnetic field. The nonlinear discretized system is solved with scalable preconditioned Newton–Krylov iterative methods, which employs a multiphysics block preconditioning method based on approximate block factorizations and Schur complements. The study presents an evaluation of the VMS method on a 2D cartesian tearing mode instability, and illustrates the scalability of the solvers on MCF relevant problems. A set of results are also presented for longer time-scale stability and disruptions for the ITER tokamak. These include a vertical displacement event (VDE), and a (1,1) internal kink mode. Here, the formulation is demonstrated to be scalable and also reasonably robust with respect to the Lundquist number scaling.

42 ENGINEERING↗

PPINN: Parareal physics-informed neural network for time-dependent PDEs

Physics-informed neural networks (PINNs) encode physical conservation laws and prior physical knowledge into the neural networks, ensuring the correct physics is represented accurately while alleviating the need for supervised learning to a great degree. While effective for relatively short-term time integration, when long time integration of the time-dependent PDEs is sought, the time–space domain may become arbitrarily large and hence training of the neural network may become prohibitively expensive. To this end, we develop a parareal physics-informed neural network (PPINN), hence decomposing a long-time problem into many independent short-time problems supervised by an inexpensive/fast coarse-grained (CG) solver. In particular, the serial CG solver is designed to provide approximate predictions of the solution at discrete times, while initiate many fine PINNs simultaneously to correct the solution iteratively. There is a two-fold benefit from training PINNs with small-data sets rather than working on a large-data set directly, i.e., training of individual PINNs with small-data is much faster, while training the fine PINNs can be readily parallelized. Consequently, compared to the original PINN approach, the proposed PPINN approach may achieve a significant speed-up for long-time integration of PDEs, assuming that the CG solver is fast and can provide reasonable predictions of the solution, hence aiding the PPINN solution to converge in just a few iterations. To investigate the PPINN performance on solving time-dependent PDEs, we first apply the PPINN to solve the Burgers equation, and subsequently we apply the PPINN to solve a two-dimensional nonlinear diffusion–reaction equation. Furthermore, our results demonstrate that PPINNs converge in a few iterations with significant speed-ups proportional to the number of time-subdomains employed.

42 ENGINEERING↗

Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory

We present two efficient iterative algorithms for solving the linear response eigen- value problem arising from the time dependent density functional theory. Although the matrix to be diagonalized is nonsymmetric, it has a special structure that can be exploited to save both memory and floating point operations. In particular, the nonsymmetric eigenvalue problem can be transformed into a product eigenvalue problem that is self-adjoint with respect to a K-inner product. This product eigenvalue problem can be solved efficiently by a modified Davidson algorithm and a modified locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm that make use of the K-inner product. The solution of the product eigenvalue problem yields one component of the eigenvector associated with the original eigenvalue problem. However, the other component of the eigenvector can be easily recovered in a postprocessing procedure. Therefore, the algorithms we present here are more efficient than existing algorithms that try to approximate both components of the eigenvectors simultaneously. The efficiency of the new algorithms is demonstrated by numerical examples.

97 MATHEMATICS AND COMPUTING↗