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Percept

The Percept software package is a collection of libraries and executables that provide tools for verifying computer simulations of engineering components and systems. Percept is useful for simulations using the finite element or finite volume methods on unstructured meshes. Percept includes API's for adaptive mesh refinement, geometry representation, the method of manufactured solutions, analysis of convergence including the convergence of vibrational eigenmodes, and metrics for analyzing the difference between fields represented on two different overlapping unstructured grids.

Source record↗

Algebraic Multigrid Benchmark

AMG is a parallel algebraic multigrid solver for linear systems arising from problems on unstructured grids. It has been derived directly from the BoomerAMG solver in the hypre library, a large linear solvers library that is being developed in the Center for Applied Scientific Computing (CASC) at LLNL and is very similar to the AMG2013 benchmark with additional optimizations. The driver provided in the benchmark can build various test problems. The default problem is a Laplace type problem with a 27-point stencil, which can be scaled up and is designed to solve a very large problem. A second problem simulates a time dependent problem, in which successively various smnllcr systems are solved.

Yang, Ulrike↗

A High-resolution Regional Wave Resource Characterization For The U.S. West Coast

Objectives/Scope: Wave resource characterization is a critical step for wave energy converter deployment in the coastal ocean and relies on long-term, high-resolution wave datasets. This study presents a detailed modeling study of the wave resource along the U.S. West Coast (Washington, Oregon, and California), a coastal region that was identified with high wave energy potential in earlier studies. Methods, Procedures, Process: The wave hindcast covers a 32-year period from 1979 to 2010 and is based on a multi-resolution, unstructured-grid SWAN model framework. Model configuration closely follows and meets the requirements recommended by the International Electrotechnical Commission Technical Specification (IEC TS) for wave energy resource assessment and characterization (Class 2 - feasibility study). The model domain covers the entire U.S. Exclusive Economic Zone (EEZ) in the West Coast and has a spatial resolution varying from ~300 m in the nearshore region (20 km from the shoreline) to ~2500 m within the EEZ and ~5000 m at the open boundary, which extends beyond the EEZ. The model was forced by hourly 2-D wave spectra produced by a two-way nested WaveWatch III model, which covers the global ocean domain and the broader U.S. West Coast region domain with spatial resolutions of 0.5 degree and 10 arc-minutes, respectively. Both wave models are forced by hourly, 0.5-degree wind forcing obtained from NCEP’s Climate Forecast System Reanalysis (CFSR) product. Results, Observations, Conclusions: The standard model output for the SWAN model includes 3-hourly output for the six IEC wave resource parameters (e.g., omnidirectional wave power) at each grid point and hourly 2-D spectra at more than 50 NDBC buoys. Extensive model validation was achieved by comparing the six model-predicted IEC parameters with those derived from field observations at representative NDBC buoys. The error statistics indicated the model’s satisfactory performance. Further analyses were conducted to systematically evaluate the temporal and spatial distributions of wave energy potential and wave climate along the U.S. West Coast. Results suggest that Washington and Oregon coasts have similar nearshore wave resource, which is significantly higher than resources in Southern California. Strong seasonal variations are also observed, e.g., high wave energy tends to occur in the winter months. In summary, this study produced the first high-resolution, comprehensive dataset on wave energy distribution along the U.S. West Coast. Novel/Additive Information: The results are being used by the National Renewable Energy Laboratory to update the MHK Atlas, which was originally derived from NOAA’s 4-arc-minute WaveWatch III model output. In addition, the monthly averaged wave energy climatology dataset can be readily shared to support a variety of research and application efforts within the EEZ of the U.S. West Coast.

Wang, Taiping↗

ExaWind: Exascale Predictive Wind Plant Flow Physics Modeling

The scientific goal of the ExaWind project is to advance our fundamental understanding of the flow physics governing whole wind plant performance, including wake formation, complex terrain impacts, and turbine-turbine-interaction effects. The primary application codes in the ExaWind environment are Nalu-Wind, an unstructured-grid computational fluid dynamics (CFD) code, AMR-Wind, a structured-grid CFD code, and OpenFAST, a whole-turbine simulation code. In this poster we present our progress towards simulating the ExaWind challenge problem, which is a predictive simulation of a wind farm with tens of megawatt-scale wind turbines dispersed over an area of 50 square kilometers.

49 EE - Wind and Water Power Program - Wind (EE-4W↗

ExaWind: Predictive Wind Energy Simulations

This presentation describes the ExaWind project and the team's progress in creating a suite of performance-portable codes designed for predictive simulations of wind farms on next-generation exascale-class supercomputers. Such simulations will require the resolution of scales spanning many orders of magnitude, from blade boundary layers to wind farm flow structures. In the U.S., the first exascale systems will be GPU accelerated, and different GPU manufacturers have been chosen for the different systems. At the heart of the ExaWind software is a hybrid-solver approach based on the codes Nalu-Wind and AMR-Wind, which are computational fluid dynamics solvers for the incompressible Navier-Stokes equations. Nalu-Wind is an unstructured-grid code used to resolve wind turbine geometry and blade boundary layers, whereas AMR-Wind is a structured-grid background solver for atmospheric turbulent flow and turbine wake propagation. The models are coupled with overset meshes and global linear systems are approximated through a loose-coupling algorithm. Results will include validation-quality high-fidelity simulations and strong/weak scaling results from the Summit supercomputer.

49 EE - Wind and Water Power Program - Wind (EE-4W↗

ExaWind: Opportunity for Discovery

The predictive simulation of the dynamics of modern wind turbines and wind farms is a high-performance-computing (HPC) grand challenge. Modern wind turbines are the largest rotating machines in the world, with rotor diameters exceeding 200 meters, and with heights well into the atmospheric boundary layer. To address this grand challenge, the U.S. Department of Energy (DOE) Wind Energy Technologies Office and the Exascale Computing Project have been supporting the creation of the ExaWind modeling and simulation environment since 2016. ExaWind is composed of the incompressible-flow computational-fluid-dynamics (CFD) solvers AMR-Wind and Nalu-Wind and the wind-turbine-dynamics solver OpenFAST. In our hybrid CFD approach, Nalu-Wind unstructured-grid models resolve the near-body flow around the turbine; those models are embedded in, and two-way coupled to, an AMR-Wind structured-grid mesh through overset meshes. In this talk I give an overview of ExaWind software stack and describe how it is being used to address important problems in wind energy.

computational fluid dynamics↗

ExaWind: Then and Now

The scientific goal of the ExaWind project is to advance our fundamental understanding of the flow physics governing whole wind plant performance, including wake formation, complex terrain impacts, and turbine-turbine-interaction effects. The primary application codes in the ExaWind environment are Nalu-Wind, an unstructured-grid computational fluid dynamics (CFD) code, AMR-Wind, a structured-grid CFD code, and OpenFAST, a whole-turbine simulation code. In this poster we present the current status of the ExaWind software stack in the context of the modeling and simulation capabilities when the project started in 2016.

computational fluid dynamics↗

Parallel algorithms for 2-D cylindrical transport equations of Eigenvalue problem

In this paper, aimed at the neutron transport equations of eigenvalue problem under 2-D cylindrical geometry on unstructured grid, the discrete scheme of Sn discrete ordinate and discontinuous finite is built, and the parallel computation for the scheme is realized on MPI systems. Numerical experiments indicate that the designed parallel algorithm can reach perfect speedup, it has good practicality and scalability. (authors)

97 MATHEMATICS AND COMPUTING↗

Simulating the Effect of Fracture Connectivity on Repository Performance with GDSA Framework - 18589

This work examines the possible migration of radionuclides from a deep geologic nuclear waste repository sited in fractured crystalline host rock. The key safety concern is the potential effect on waste isolation of the inter-connectivity of the fracture network, which is primarily established by the temporal evolution of the temperature and stress fields at the time of original rock intrusion and cooling. Two end members are considered in these simulations, one with a high degree of connectivity to the biosphere, such that advective transport through the fracture and fault network controls radionuclide migration, and the other with a low degree of connectivity, such that slow diffusive transport through the crystalline rock matrix is the controlling process for radionuclide migration to the biosphere. Both end members have several areally extensive, high-transmissivity deformation zones, whose distance to the repository is an important factor for waste isolation capability. Uncertainties in fracture properties (transmissivity, orientation, radius) and fracture distribution also give rise to uncertainty in waste isolation capability (i.e., the overall connectivity of the repository with the surface biosphere). These types of natural system uncertainties are generally present in any geologic site-characterization program and thus represent an important factor in assessing repository performance in hard rock environments. The waste considered in these simulations are spent fuel rod assemblies from the U.S. commercial nuclear reactor fleet. Thermal output of the waste must be considered in the simulations and can influence the rate and timing of waste package failure, waste form degradation, and fluid flux due to thermal expansion around the repository horizon. To achieve a high-fidelity representation of radionuclide transport in fractures and rock matrix, combined with thermal energy transport and fluid flow in fractures and matrix, the mathematical model is solved numerically in a parallel high-performance computing (HPC) environment on a finite volume unstructured grid consisting of approximately 5 million cells, using Geologic Disposal Safety Assessment (GDSA) Framework (https://pa.sandia.gov), an open-source performance assessment tool for deep underground disposal of nuclear waste. GDSA Framework uses PFLOTRAN to solve the balance equations on a three-dimensional grid with heterogeneous properties, using multiple processors in a parallel configuration based on domain decomposition. The fracture networks in these simulations are originally generated as discrete fracture networks (DFNs), which are sets of two-dimensional planes distributed in a three-dimensional domain. The method used in GDSA Framework maps the stochastically generated DFN to an equivalent continuous porous medium (ECPM) domain that allows for the simulation of coupled heat flow, fluid flow, and radionuclide transport, including heat conduction through the matrix of the fractured rock, which is a process not easily modeled in a DFN representation. Computational efficiency is also greatly enhanced using the ECPM method, allowing for a realistic representation and analysis of uncertainties in a multi-realization performance assessment of a deep geologic repository. The effect of fracture connectivity on the waste isolation safety function, as brought to light by these GDSA Framework simulations, points to the importance of including a realistic representation of uncertainties in fracture properties and distribution (effectively, uncertainty in spatial heterogeneity) in repository safety assessment simulations. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

On the Degradation of the Effectiveness of Nonlinear Diffusion Acceleration with Parallel Block Jacobi Splitting

MOOSE's radiation transport module Rattlesnake comprises a first order S N solver that can be accelerated with a flexible Nonlinear Diffusion Acceleration. At each NDA iteration, the streaming and collision operator of the S{sub N} equations are (approximately) inverted using a transport sweep. When executed on multiple processors parallel block Jacobi (PBJ) splitting is utilized lagging the processor sub-domain's incoming angular fluxes making the implemented method asynchronous, i.e. the convergence properties of NDA become dependent on the number of concurrent tasks and details of the partitioning. Within this work, we study the NDA convergence properties for the two-dimensional C5G7 benchmark problem PBJ with p = 1, 2, 4, 8, 12, 16, 24, 32, 48, 60, 72, 96 and 144 concurrent tasks. Rosa studied the convergence properties of PBJ splitting methods with and without transport synthetic acceleration (TSA) in slab geometry and two-dimensional Cartesian geometry, respectively. Rosa's iteration scheme lags both the incoming angular fluxes and the scattering source making it very similar to the method described here. Rosa found by means of Fourier analysis that convergence of unaccelerated PBJ can degrade for optically thin subdomains, i.e. for a large number of processors given a fixed domain size. Depending on the choice of parameters application of TSA can lead to an effective algorithm. In contrast to Rosa's work, this work focuses on PBJ splitting for NDA accelerated solution of the multigroup eigenvalue problem. Later, Zerr and Anistratov used their integral transport matrix method in conjunction with PBJ. This iteration scheme is different as it does not lag the scattering source. Nevertheless, Fourier analysis with Diamond Difference spatial discretization showed that the method degrades with increasing the overall size of the spatial domain while keeping the sub-domain size constant. In the case of an infinite medium, the observed spectral radius becomes unity. These references establish the iterative performance of PBJ for one-group fixed source problems discretized on rectangular cells, but for the Rattlesnake first order NDA method, an emphasis lies on multigroup eigenvalue problems. In this setting, the additional complication arises that the low order equations are not exactly inverted, but only to some iterative criterion. Further, as the low order problem is solved using Jacobian-Free Newton Krylov methods, a suitable preconditioner for the GMRES iterations is required. As the effectiveness of the preconditioners may decrease when more concurrent processes are used, we expect the low order solve to impact the overall effectiveness of the NDA method in parallel execution as well. Therefore, this work focuses on the question of how detrimental the asynchronicity of the high and low order iterative solutions is for the effectiveness of NDA solutions of realistic, unstructured grid, multigroup eigenvalue problems. The iterative convergence properties of Rattlesnake's NDA method for multigroup eigenvalue problems are studied for varying number of concurrent processes. Rattlesnake's NDA method is asynchronous because the high order transport sweep uses PBJ splitting and because the low order solve's preconditioners, algebraic multigrid and additive Schwarz, are asynchronous. We found that up to 144 processes the number of Picard iterations increases by a factor of 2-3 affecting but not destroying NDA's parallel performance for the C5G7 benchmark problem, a representative LWR (light water reactor) configuration. The solution of the NDA low order eigenvalue problem posed greater problems than expected for the solvers currently available in Rattlesnake mainly because of problems to effectively precondition the modified low-order problem. As a matter of fact, the low order problem becomes an advection-diffusion problem. Non-robustness was observed for the AMG preconditioned coarse mesh acceleration for more than 60 concurrent processes, which was fixed by increasing the number of permissible V-cycles per AMG call. For fine mesh acceleration AMG proved to be ineffective and we resorted to ASM. For both AMG and ASM, increasing number of linear iterations per nonlinear are observed when increasing the number of processes, but for ASM this problem appears to be worse. The results from this work also indicate that initial development efforts should be diverted from implementation of a high-order parallel sweeping algorithm to the effective and robust iterative solution of the low order NDA multigroup eigenvalue problem. (authors)

97 MATHEMATICS AND COMPUTING↗

A higher-order finite element reactive transport model for unstructured and fractured grids

Abstract This work presents a new reactive transport framework that combines a powerful geochemistry engine with advanced numerical methods for flow and transport in subsurface fractured porous media. Specifically, the PhreeqcRM interface (developed by the USGS) is used to take advantage of a large library of equilibrium and kinetic aqueous and fluid-rock reactions, which has been validated by numerous experiments and benchmark studies. Fluid flow is modeled by the Mixed Hybrid Finite Element (FE) method, which provides smooth velocity fields even in highly heterogenous formations with discrete fractures. A multilinear Discontinuous Galerkin FE method is used to solve the multicomponent transport problem. This method is locally mass conserving and its second order convergence significantly reduces numerical dispersion. In terms of thermodynamics, the aqueous phase is considered as a compressible fluid and its properties are derived from a Cubic Plus Association (CPA) equation of state. The new simulator is validated against several benchmark problems (involving, e.g., Fickian and Nernst-Planck diffusion, isotope fractionation, advection-dispersion transport, and rock-fluid reactions) before demonstrating the expanded capabilities offered by the underlying FE foundation, such as high computational efficiency, parallelizability, low numerical dispersion, unstructured 3D gridding, and discrete fraction modeling.

58 GEOSCIENCES↗

Rapid Hypersonic Simulations using US3D and Pointwise

For hypersonic simulations, unstructured flow solvers typically have problems predicting surface heat fluxes when strong shocks are present. To address these issues, this paper outlines a workflow that applies best practices developed for structured grids to unstructured meshes. In addition, unstructured grid generation can significantly reduce the time required to create quality grids for complex geometries. Several examples are computed using DPLR, a structured grid flow solver, and US3D flow, an unstructured mesh solver. Results from the two codes are compared, and they show excellent agreement. Overall, the unstructured grid workflow offers a viable and attractive alternative for hypersonic simulations.

C. Tang↗

Rapid Hypersonic Simulations using US3D and Pointwise

For hypersonic simulations, unstructured flow solvers typically have problems predicting surface heat fluxes when strong shocks are present. To address these issues, this paper outlines a workflow that applies best practices developed for structured grids to unstructured meshes. In addition, unstructured grid generation can significantly reduce the time required to create quality grids for complex geometries. Several examples are computed using DPLR, a structured grid flow solver, and US3D flow, an unstructured mesh solver. Results from the two codes are compared, and they show excellent agreement. Overall, the unstructured grid workflow offers a viable and attractive alternative for hypersonic simulations.

Chun Tang↗

Tuned grid generation with ICEM CFD

ICEM CFD is a CAD based grid generation package that supports multiblock structured, unstructured tetrahedral and unstructured hexahedral grids. Major development efforts have been spent to extend ICEM CFD's multiblock structured and hexahedral unstructured grid generation capabilities. The modules added are: a parametric grid generation module and a semi-automatic hexahedral grid generation module. A fully automatic version of the hexahedral grid generation module for around a set of predefined objects in rectilinear enclosures has been developed. These modules will be presented and the procedures used will be described, and examples will be discussed.

Wulf, Armin↗

CFD Script for Rapid TPS Damage Assessment

This grid generation script creates unstructured CFD grids for rapid thermal protection system (TPS) damage aeroheating assessments. The existing manual solution is cumbersome, open to errors, and slow. The invention takes a large-scale geometry grid and its large-scale CFD solution, and creates a unstructured patch grid that models the TPS damage. The flow field boundary condition for the patch grid is then interpolated from the large-scale CFD solution. It speeds up the generation of CFD grids and solutions in the modeling of TPS damages and their aeroheating assessment. This process was successfully utilized during STS-134.

McCloud, Peter↗

Asynchronous distributed-memory task-parallel algorithm for compressible flows on unstructured 3D Eulerian grids

Here, we discuss the implementation of a finite element method, used to numerically solve the Euler equations of compressible flows, using an asynchronous runtime system (RTS). The algorithm is implemented for distributed-memory machines, using stationary unstructured 3D meshes, combining data-, and task-parallelism on top of the Charm++ RTS. Charm++’s execution model is asynchronous by default, allowing arbitrary overlap of computation and communication. Task-parallelism allows scheduling parts of an algorithm independently of, or dependent on, each other. Built-in automatic load balancing enables continuous redistribution of computational load by migration of work units based on real-time CPU load measurement. The RTS also features automatic checkpointing, fault tolerance, resilience against hardware failure, and supports power-, and energy-aware computation. We demonstrate scalability up to 25 x 10 9 cells at $\mathscr{O}$10 4 compute cores and the benefits of automatic load balancing for irregular workloads. The full source code with documentation is available at https://quinoacomputing.org.

42 ENGINEERING↗

Exploring the Accuracy of RANS Simulations for Mars Entry Vehicles

Accurate yet inexpensive predictions of aerodynamic coefficients for Mars entry vehicles have remained a consistent challenge over the past five decades. Below Mach 6, drag on the backshell becomes significant and must be accurately predicted. Steady Reynolds-averaged Navier-Stokes (RANS) models are commonly used, despite their poor predictions of backshell pressure. While scale-resolving simulations have shown promise in the past decade, there is still a need for cheap, accurate RANS predictions for large aerodynamic databases. The Mars Science Laboratory (MSL) is used as a case study to examine predictive accuracy and known shortcomings for RANS predictions of Mars entry vehicles. Several different grid generation techniques are compared, including a comparison between prismatic boundary layer grids and fully unstructured, tetrahedral grids. Comparisons are made to experimental data for Mach 2.5, 3.5, and 4.5. The accuracy of predicted aerodynamic coefficients is examined. Overpredictions in axial force and drag are explained by a closer examination of the surface pressure. These findings document sensitivities and best practices for future RANS database development of Mars entry vehicles.

RANS↗

Exploring the Accuracy of RANS Simulations for Mars Entry Vehicles

Accurate yet inexpensive predictions of aerodynamic coefficients for Mars entry vehicles have remained a consistent challenge over the past five decades. Below Mach 6, drag on the backshell becomes significant and must be accurately predicted. Steady Reynolds-averaged Navier-Stokes (RANS) models are commonly used, despite their poor predictions of backshell pressure. While scale-resolving simulations have shown promise in the past decade, there is still a need for cheap, accurate RANS predictions for large aerodynamic databases. The Mars Science Laboratory (MSL) is used as a case study to examine predictive accuracy and known shortcomings for RANS predictions of Mars entry vehicles. Several different grid generation techniques are compared, including a comparison between prismatic boundary layer grids and fully unstructured, tetrahedral grids. Comparisons are made to experimental data for Mach 2.5, 3.5, and 4.5. The accuracy of predicted aerodynamic coefficients is examined. Overpredictions in axial force and drag are explained by a closer examination of the surface pressure. These findings document sensitivities and best practices for future RANS database development of Mars entry vehicles.

CFD↗