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At least 541 records · Page 30

Gyrokinetic particle simulation of microturbulence for general magnetic geometry and experimental profiles

Developments in gyrokinetic particle simulation enable the gyrokinetic toroidal code (GTC) to simulate turbulent transport in tokamaks with realistic equilibrium profiles and plasma geometry, which is an essential step in the code–experiment validation process. These novel developments include numerical equilibrium representation using B-splines, a new Poisson solver based on finite difference using field-aligned mesh and magnetic flux coordinates, a new zonal flow solver for general geometry, and improvements on the conventional four-point gyroaverage with nonuniform background marker loading. The gyrokinetic Poisson equation is solved in the perpendicular plane instead of the poloidal plane. Exploiting these new features, GTC is able to simulate a typical DIII-D discharge with experimental magnetic geometry and profiles. The simulated turbulent heat diffusivity and its radial profile reflects good agreement with other gyrokinetic codes. The newly developed nonuniform loading method provides a modified radial transport profile to that of the conventional uniform loading method.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Optimizing Dirac Wilson Operator and linear solvers for Intel KNL

Lattice Quantumchromodynamics (QCD) is a powerful tool to numerically access the low energy regime of QCD in a straightforward way with quantifyable uncertainties. In this approach, QCD is discretized on a four dimensional, euclidian space-time grid with millions of degrees of freedom. In modern lattice calculations, most of the work is still spent in solving large, sparse linear systems. This part has two challenges, i.e. optimizing the sparse matrix application as well as BLAS-like kernels used in the linear solver. We are going to present performance optimizations of the Dirac operator (dslash) with and without clover term for recent Intel architectures, including Knights Landing (KNL). Using only a single right hand side, we were able to achieve a good fraction of peak performance for slash, CG and BiCGStab. We will also present a series of experiments we performed on KNL, i.e. running MCDRAM in different modes, enabling or disabling hardware prefetching, using different SoA lengths as well as different sub-NUMA-clustering modes.

Joó, Bálint↗

Numerical investigation of multi-element airfoils

The flow over multi-element airfoils with flat-plate lift-enhancing tabs was numerically investigated. Tabs ranging in height from 0.25 percent to 1.25 percent of the reference airfoil chord were studied near the trailing edge of the main-element. This two-dimensional numerical simulation employed an incompressible Navier-Stokes solver on a structured, embedded grid topology. New grid refinements were used to improve the accuracy of the solution near the overlapping grid boundaries. The effects of various tabs were studied at a constant Reynolds number on a two-element airfoil with a slotted flap. Both computed and measured results indicated that a tab in the main-element cove improved the maximum lift and lift-to-drag ratio relative to the baseline airfoil without a tab. Computed streamlines revealed that the additional turning caused by the tab may reduce the amount of separated flow on the flap. A three-element airfoil was also studied over a range of Reynolds numbers. For the optimized flap rigging, the computed and measured Reynolds number effects were similar. When the flap was moved from the optimum position, numerical results indicated that a tab may help to reoptimize the airfoil to within 1 percent of the optimum flap case.

Cummings, Russell M.↗

Algebraic Multigrid Solvers for Coupled PDE Systems (Final Report – B619169)

The Pennsylvania State University (“Subcontractor”) worked on the design of multigrid solvers for coupled systems of partial differential equations arising in numerical modeling of various applications, with a main emphasis on the design of new optimal algebraic multigrid interpolation. Generally, the aim of this work was to develop geometric and algebraic multilevel solvers that are robust and lend themselves to efficient implementation on massively parallel heterogeneous computers. The research in these areas built on previous works, focusing on the following topics: (1) design and analysis of algebraic coarsening algorithms for coupled PDE systems including Stokes equation, Maxwell equation and linear elasticity; (2) development of non-Galerkin coarsening techniques for the Wilson Dirac system; and (3) the use of this same Wilson MG solver for preconditioning the Overlap and Domain Wall formulations of the Dirac equation.

97 MATHEMATICS AND COMPUTING↗

Acceleration of diffusive molecular dynamics simulations through mean field approximation and subcycling time integration

Highlights: • Two numerical methods are presented to accelerate DMD simulations. • The methods greatly reduce the computation time without much loss of accuracy. • The accelerated DMD model is capable of simulating long-term mass transport at atomistic length scales. • Demonstrated for the propagation of an atomically sharp phase boundary over 30 seconds. - Abstract: Diffusive Molecular Dynamics (DMD) is a class of recently developed computational models for the simulation of long-term diffusive mass transport at atomistic length scales. Compared to previous atomistic models, e.g., transition state theory based accelerated molecular dynamics, DMD allows the use of larger time-step sizes, but has a higher computational complexity at each time-step due to the need to solve a nonlinear optimization problem at every time-step. This paper presents two numerical methods to accelerate DMD based simulations. First, we show that when a many-body potential function, e.g., embedded atom method (EAM), is employed, the cost of DMD is dominated by the computation of the mean of the potential function and its derivatives, which are high-dimensional random variables. To reduce the cost, we explore both first- and second-order mean field approximations. Specifically, we show that the first-order approximation, which uses a point estimate to calculate the mean, can reduce the cost by two to three orders of magnitude, but may introduce relatively large error in the solution. We show that adding an approximate second-order correction term can significantly reduce the error without much increase in computational cost. Second, we show that DMD can be significantly accelerated through subcycling time integration, as the cost of integrating the empirical diffusion equation is much lower than that of the optimization solver. To assess the DMD model and the numerical approximation methods, we present two groups of numerical experiments that simulate the diffusion of hydrogen in palladium nanoparticles. In particular, we show that the computational framework is capable of capturing the propagation of an atomically sharp phase boundary over a time window of more than 30 seconds. The effects of the proposed numerical methods on solution accuracy and computation time are also assessed quantitatively.

36 MATERIALS SCIENCE↗

Addressing Over-Solving in Multiphysics Codes with Nested Solvers

Examples of multiphysics problems in the field of nuclear engineering are numerous. For light water reactors the coupling of neutronics with thermal-hydraulics is the most predominant. Often this coupling is modeled by combining existing codes in a Picard Iteration scheme, that is, by solving one physics then using that answer to solve the other and iterating until both answers stabilize. However, simply solving to a high precision on every Picard (multiphysics) iteration is much less efficient than progressively solving to higher precisions. This unneeded work is known as over-solving. Over-solving in single-physics solvers has been studied previously for the Newton method and Chebyshev iteration. Both of these methods solve an inner linear problem that determines the next update step for the outer loop. If the inner problem is solved to a high precision in every outer iteration, the result will be substantially more computational expense (over-solving) and a higher probability of reaching the 'wrong' solution. Methods for reducing over-solving in partitioned multiphysics codes have only been developed recently. This work introduces further improvements, including an investigation of over-solving methods on both the multiphysics and single-physics levels.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

BeamDyn: a high-fidelity wind turbine blade solver in the FAST modular framework

Here, this paper presents a numerical implementation of the geometrically exact beam theory based on the Legendre-spectral-finite-element (LSFE) method. The displacement-based geometrically exact beam theory is presented, and the special treatment of three-dimensional rotation parameters is reviewed. An LSFE is a high-order finite element with nodes located at the Gauss-Legendre-Lobatto points. These elements can be an order of magnitude more computationally efficient than low-order finite elements for a given accuracy level. The new module, BeamDyn, is implemented in the FAST modularization framework for dynamic simulation of highly flexible composite-material wind turbine blades within the FAST aeroelastic engineering model. The framework allows for fully interactive simulations of turbine blades in operating conditions. Numerical examples are provided to validate BeamDyn and examine the LSFE performance as well as the coupling algorithm in the FAST modularization framework. BeamDyn can also be used as a stand-alone high-fidelity beam tool.

17 WIND ENERGY↗

Report on local data recovery approaches suitable for weather and climate prediction (Deliverable 1.3) (V.1.0)

Numerical weather and climate prediction rates as one of the scientific applications whose accuracy improvements greatly depend on the growth of the available computing power. As the number of cores in top computing facilities pushes into the millions, increasing average frequency of hardware and software failures forces users to review their algorithms and systems in order to protect simulations from breakdown. This report surveys approaches for fault-tolerance in numerical algorithms and system resilience in parallel simulations from the perspective of numerical weather and climate prediction systems. A selection of existing strategies is analyzed, featuring interpolation-restart and compressed checkpointing for the numerics, in-memory checkpointing, user-level failure mitigation-based and backup-based methods for the systems. Numerical examples showcase the performance of the techniques in addressing faults, with particular emphasis on iterative solvers for linear systems, a staple of atmospheric fluid flow solvers. The potential impact of these strategies is discussed in relation to current development of numerical weather prediction algorithms and systems towards the exascale. Trade-offs between performance, efficiency and effectiveness of resiliency strategies are analyzed and some recommendations outlined for future developments.

97 MATHEMATICS AND COMPUTING↗

LINFLUX-AE: A Turbomachinery Aeroelastic Code Based on a 3-D Linearized Euler Solver

This report describes the development and validation of LINFLUX-AE, a turbomachinery aeroelastic code based on the linearized unsteady 3-D Euler solver, LINFLUX. A helical fan with flat plate geometry is selected as the test case for numerical validation. The steady solution required by LINFLUX is obtained from the nonlinear Euler/Navier Stokes solver TURBO-AE. The report briefly describes the salient features of LINFLUX and the details of the aeroelastic extension. The aeroelastic formulation is based on a modal approach. An eigenvalue formulation is used for flutter analysis. The unsteady aerodynamic forces required for flutter are obtained by running LINFLUX for each mode, interblade phase angle and frequency of interest. The unsteady aerodynamic forces for forced response analysis are obtained from LINFLUX for the prescribed excitation, interblade phase angle, and frequency. The forced response amplitude is calculated from the modal summation of the generalized displacements. The unsteady pressures, work done per cycle, eigenvalues and forced response amplitudes obtained from LINFLUX are compared with those obtained from LINSUB, TURBO-AE, ASTROP2, and ANSYS.

Reddy, T. S. R.↗

SAM User's Guide

The System Analysis Module (SAM) is a modern system analysis tool being developed at Argonne National Laboratory for advanced non-LWR safety analysis. It aims to provide fast-running, whole-plant transient analyses capability with improved-fidelity for Sodium-cooled Fast Reactors (SFR), Lead-cooled Fast Reactors (LFR), and Molten Salt Reactors (MSR) or Fluoride-cooled High-temperature Reactors (FHR). SAM takes advantage of advances in physical modeling, numerical methods, and software engineering to enhance its user experience and usability. It utilizes an object-oriented application framework (MOOSE), and its underlying meshing and finite-element library (libMesh) and linear and non-linear solvers (PETSc), to leverage the modern advanced software environments and numerical methods. This document provides a user’s guide, which will help users understand the input description and core capabilities of the SAM code. A brief overview of the code is presented, as well as how to obtain and run it. The input syntax for various parts of the code is provided. Additionally, a number of example problems, starting with simple unit component problems to problems with increasing complexity, are provided. Because the code is still under active development, this SAM User’s Guide will evolve with periodic updates.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

SAM User’s Guide

The System Analysis Module (SAM) is a modern system analysis tool being developed at Argonne National Laboratory for advanced non-LWR safety analysis. It aims to provide fast-running, whole-plant transient analyses capability with improved-fidelity for Sodium-cooled Fast Reactors (SFR), Lead-cooled Fast Reactors (LFR), and Molten Salt Reactors (MSR) or Fluoride-cooled High-temperature Reactors (FHR). SAM takes advantage of advances in physical modeling, numerical methods, and software engineering to enhance its user experience and usability. It utilizes an object-oriented application framework (MOOSE), and its underlying meshing and finite-element library (libMesh) and linear and non-linear solvers (PETSc), to leverage the modern advanced software environments and numerical methods. This document provides a user’s guide, which will help users understand the input description and core capabilities of the SAM code. A brief overview of the code is presented, as well as how to obtain and run it. The input syntax for various parts of the code is provided. Additionally, a number of example problems, starting with simple unit component problems to problems with increasing complexity, are provided. Because the code is still under active development, this SAM User’s Guide will evolve with periodic updates.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

SAM User's Guide

The System Analysis Module (SAM) is a modern system analysis tool being developed at Argonne National Laboratory for advanced non-LWR safety analysis. It aims to provide fast-running, whole-plant transient analyses capability with improved-fidelity for Sodium-cooled Fast Reactors (SFR), Lead-cooled Fast Reactors (LFR), and Molten Salt Reactors (MSR) or Fluoride-cooled High-temperature Reactors (FHR). SAM takes advantage of advances in physical modeling, numerical methods, and software engineering to enhance its user experience and usability. It utilizes an object-oriented application framework (MOOSE), and its underlying meshing and finite-element library (libMesh) and linear and non-linear solvers (PETSc), to leverage the modern advanced software environments and numerical methods. This document provides a user’s guide, which will help users understand the input description and core capabilities of the SAM code. A brief overview of the code is presented, as well as how to obtain and run it. The input syntax for various parts of the code is provided. Additionally, a number of example problems, starting with simple unit component problems to problems with increasing complexity, are provided. Because the code is still under active development, this SAM User’s Guide will evolve with periodic updates.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

High Resolution Euler Solvers Based on the Space-Time Conservation Element and Solution Element Method

The I-D, quasi I-D and 2-D Euler solvers based on the method of space-time conservation element and solution element are used to simulate various flow phenomena including shock waves, Mach stem, contact surface, expansion waves, and their intersections and reflections. Seven test problems are solved to demonstrate the capability of this method for handling unsteady compressible flows in various configurations. Numerical results so obtained are compared with exact solutions and/or numerical solutions obtained by schemes based on other established computational techniques. Comparisons show that the present Euler solvers can generate highly accurate numerical solutions to complex flow problems in a straightforward manner without using any ad hoc techniques in the scheme.

Wang, Xiao-Yen↗

An accurate and efficient laser-envelope solver for the modeling of laser-plasma accelerators

Detailed and reliable numerical modeling of laser-plasma accelerators (LPAs), where a short and intense laser pulse interacts with an underdense plasma over distances of up to a meter, is a formidably challenging task. This is due to the great disparity among the length scales involved in the modeling, ranging from the micron scale of the laser wavelength to the meter scale of the total laser-plasma interaction length. The use of the time-averaged ponderomotive force approximation, where the laser pulse is described by means of its envelope, enables efficient modeling of LPAs by removing the need to model the details of electron motion at the laser wavelength scale. Furthermore, it allows simulations in cylindrical geometry which captures relevant 3D physics at 2D computational cost. A key element of any code based on the time-averaged ponderomotive force approximation is the laser envelope solver. In this paper we present the accurate and efficient envelope solver used in the code INF & RNO (INtegrated Fluid & paRticle simulatioN cOde). The features of the INF & RNO laser solver enable an accurate description of the laser pulse evolution deep into depletion even at a reasonably low resolution, resulting in significant computational speed-ups.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Numerical Predictions of Dust-Induced Heat Flux Augmentation in Hypersonic Blunt-Body Flows Using a Discontinuous Galerkin Multiphase Flow Solver

Recent interest in human-scale missions to Mars has motivated the need for high-fidelity simulations of reentry flows. During a dust storm, there can be high levels of suspended dust in the Martian atmosphere, which cannot only enhance erosion of thermal protection systems but also transfer energy and momentum to the shock layer, thereby significantly augmenting the surface heat flux. Second-order finite-volume schemes are typically employed for hypersonic flow simulations, but such schemes suffer from a number of disadvantages. An attractive alternative is discontinuous Galerkin methods, which benefit from arbitrarily high spatial order of accuracy, geometric flexibility, and other properties. To enable accurate computations of high-speed particle-laden flows, an Euler-Lagrange methodology was developed in which the Eulerian field of the carrier gas is calculated using a discontinuous Galerkin scheme while the disperse phase is treated with Lagrangian particle tracking. We discuss challenges associated with coupling these two formulations and how to handle them. Momentum and energy transfer between the carrier gas and the particle phase is considered, and the importance of accounting for interparticle collisions is assessed. In addition, we describe the physical model of the particle phase and examine effects of its uncertainties on the numerical solution. We demonstrate the performance of the Euler-Lagrange method in representative testcases, with focus on the accurate prediction of particle trajectories and heating augmentation. Quantitative comparisons with experiments are provided.

Ching, Eric J.↗

On the use of reverse Brownian motion to accelerate hybrid simulations

Multiscale and multiphysics simulations are two rapidly developing fields of scientific computing. Efficient coupling of continuum (deterministic or stochastic) constitutive solvers with their discrete (stochastic, particle-based) counterparts is a common challenge in both kinds of simulations. We focus on interfacial, tightly coupled simulations of diffusion that combine continuum and particle-based solvers. The latter employs the reverse Brownian motion (rBm), a Monte Carlo approach that allows one to enforce inhomogeneous Dirichlet, Neumann, or Robin boundary conditions and is trivially parallelizable. We discuss numerical approaches for improving the accuracy of rBm in the presence of inhomogeneous Neumann boundary conditions and alternative strategies for coupling the rBm solver with its continuum counterpart. Numerical experiments are used to investigate the convergence, stability, and computational efficiency of the proposed hybrid algorithm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Numerical Simulation of Complex Turbomachinery Flows

An unsteady, multiblock, Reynolds Averaged Navier Stokes solver based on Runge-Kutta scheme and Pseudo-time step for turbo-machinery applications was developed. The code was validated and assessed against analytical and experimental data. It was used to study a variety of physical mechanisms of unsteady, three-dimensional, turbulent, transitional, and cooling flows in compressors and turbines. Flow over a cylinder has been used to study effects of numerical aspects on accuracy of prediction of wake decay and transition, and to modify K-epsilon models. The following simulations have been performed: (a) Unsteady flow in a compressor cascade: Three low Reynolds number turbulence models have been assessed and data compared with Euler/boundary layer predictions. Major flow features associated with wake induced transition were predicted and studied; (b) Nozzle wake-rotor interaction in a turbine: Results compared to LDV data in design and off-design conditions, and cause and effect of unsteady flow in turbine rotors were analyzed; (c) Flow in the low-pressure turbine: Assessed capability of the code to predict transitional, attached and separated flows at a wide range of low Reynolds numbers and inlet freestream turbulence intensity. Several turbulence and transition models have been employed and comparisons made to experiments; (d) leading edge film cooling at compound angle: Comparisons were made with experiments, and the flow physics of the associated vortical structures were studied; and (e) Tip leakage flow in a turbine. The physics of the secondary flow in a rotor was studied and sources of loss identified.

Chernobrovkin, A. A.↗

The latent variable proximal point algorithm for variational problems with inequality constraints

The latent variable proximal point (LVPP) algorithm is a framework for solving infinite-dimensional variational problems with pointwise inequality constraints. The algorithm is a saddle point reformulation of the Bregman proximal point algorithm. At the continuous level, the two formulations are equivalent, but the saddle point formulation is more amenable to discretization because it introduces a structure-preserving transformation between a latent function space and the feasible set. Working in this latent space is much more convenient for enforcing inequality constraints than the feasible set, as discretizations can employ general linear combinations of suitable basis functions, and nonlinear solvers can involve general additive updates. LVPP yields numerical methods with observed mesh-independence for obstacle problems, contact, fracture, plasticity, and others besides; in many cases, for the first time. The framework also extends to more complex constraints, providing means to enforce convexity in the Monge–Ampère equation and handling quasi-variational inequalities, where the underlying constraint depends implicitly on the unknown solution. Here, in this paper, we describe the LVPP algorithm in a general form and apply it to ten problems from across mathematics.

Inequality constraints↗