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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 235 records · Page 13

A finite-volume Euler solver for computing rotary-wing aerodynamics on unstructured meshes

An unstructured-grid solver for the unsteady Euler equations has been developed for predicting the aerodynamics of helicopter rotor blades. This flow solver is a finite-volume scheme that computes flow quantities at the vertices of the mesh. Special treatments are used for the flux differencing and boundary conditions in order to compute rotary-wing flowfields, and these are detailed in the paper. The unstructured-grid solver permits adaptive grid refinement in order to improve the resolution of flow features such as shocks, rotor wakes and acoustic waves. These capabilities are demonstrated in the paper. Example calculations are presented for two hovering rotors. In both cases, adaptive-grid refinement is used to resolve high gradients near the rotor surface and also to capture the vortical regions in the rotor wake. The computed results show good agreement with experimental results for surface airloads and wake geometry.

Strawn, Roger C.↗

Progress in Computational Simulation of Earthquakes

GeoFEST(P) is a computer program written for use in the QuakeSim project, which is devoted to development and improvement of means of computational simulation of earthquakes. GeoFEST(P) models interacting earthquake fault systems from the fault-nucleation to the tectonic scale. The development of GeoFEST( P) has involved coupling of two programs: GeoFEST and the Pyramid Adaptive Mesh Refinement Library. GeoFEST is a message-passing-interface-parallel code that utilizes a finite-element technique to simulate evolution of stress, fault slip, and plastic/elastic deformation in realistic materials like those of faulted regions of the crust of the Earth. The products of such simulations are synthetic observable time-dependent surface deformations on time scales from days to decades. Pyramid Adaptive Mesh Refinement Library is a software library that facilitates the generation of computational meshes for solving physical problems. In an application of GeoFEST(P), a computational grid can be dynamically adapted as stress grows on a fault. Simulations on workstations using a few tens of thousands of stress and displacement finite elements can now be expanded to multiple millions of elements with greater than 98-percent scaled efficiency on over many hundreds of parallel processors (see figure).

Donnellan, Andrea↗

Quantitative Approach for the Accurate CFD Simulation of Hover in Turbulent Flow

Time-dependent Navier-Stokes simulations have been carried out for a V22 rotor in hover using an improved, low-diffusion, HLLE++ upwind algorithm in the OVERFLOW code. Emphasis is placed on lessons learned over the past decade regarding the effects of high-order spatial accuracy, grid resolution, and the use of detached eddy simulation in predicting the rotor performance, i.e., figure-of-merit (FM). A quick-start procedure is described together with a statistical measure of FM convergence that reduces hover computations by 5 times, similar in computational work for forward flight. Furthermore, Cartesian adaptive mesh refinement in the rotor wake revealed a complex turbulent flow with worm-like structures of various scales. These turbulent worms, found computationally more than a decade ago, have recently been observed in a separate German Aerospace Center (DLR) experiment. Moreover, adaptive mesh refinement has been used to resolve the tip-vortex to its correct physical size.

Neal M. Chaderjian↗

Resolution requirements for high-speed droplet impact along a rigid wall

The mechanical and thermal loads that are produced on high-speed projectiles from a droplet are key in the projectile development.To accurately predict the pressure produced along the wall surface during impact, it is important to correctly model the air/water interface of the droplet. Novel modeling approaches such as the Phase-Field enable control of the (numerical) interface thickness. However, the interplay between the grid resolution (including potential adaptive mesh refinement) and the interface thickness is unclear. In this work, the resolution requirements for numerical simulations of a two-dimensional cylindrical water droplet impacting a rigid wall at Mach four are computationally investigated. Numerical simulations are performed using a second-order accurate scheme with adaptive mesh refinement and a Phase-Field interface model. The choice of numerical interface thickness and resolution parameters affects the maximum pressure and location of the maximum pressure along the wall. The overall maximum pressure does not converge even at high resolutions. The number of levels and thickness (number of cells across the interface) play a role in obtaining a well behaved solution.

Burrell, E.↗

GR-Athena++: General-relativistic Magnetohydrodynamics Simulations of Neutron Star Spacetimes

We present the extension of GR-Athena++ to general-relativistic magnetohydrodynamics (GRMHD) for applications to neutron star spacetimes. The new solver couples the constrained transport implementation of Athena++ to the Z4c formulation of the Einstein equations to simulate dynamical spacetimes with GRMHD using oct-tree adaptive mesh refinement. We consider benchmark problems for isolated and binary neutron star spacetimes demonstrating stable and convergent results at relatively low resolutions and without grid symmetries imposed. The code correctly captures magnetic field instabilities in nonrotating stars with total relative violation of the divergence-free constraint of 10 –16 . It handles evolutions with a microphysical equation of state and black hole formation in the gravitational collapse of a rapidly rotating star. For binaries, we demonstrate correctness of the evolution under the gravitational radiation reaction and show convergence of gravitational waveforms. We showcase the use of adaptive mesh refinement to resolve the Kelvin–Helmholtz instability at the collisional interface in a merger of magnetised binary neutron stars. GR-Athena++ shows strong scaling efficiencies above 80% in excess of 10 5 CPU cores and excellent weak scaling is shown up to ~5 × 10 5 CPU cores in a realistic production setup. GR-Athena++ allows for the robust simulation of GRMHD flows in strong and dynamical gravity with exa-scale computers.

79 ASTRONOMY AND ASTROPHYSICS↗

A Novel Four-Node Quadrilateral Smoothing Element for Stress Enhancement and Error Estimation

A four-node, quadrilateral smoothing element is developed based upon a penalized-discrete-least-squares variational formulation. The smoothing methodology recovers C1-continuous stresses, thus enabling effective a posteriori error estimation and automatic adaptive mesh refinement. The element formulation is originated with a five-node macro-element configuration consisting of four triangular anisoparametric smoothing elements in a cross-diagonal pattern. This element pattern enables a convenient closed-form solution for the degrees of freedom of the interior node, resulting from enforcing explicitly a set of natural edge-wise penalty constraints. The degree-of-freedom reduction scheme leads to a very efficient formulation of a four-node quadrilateral smoothing element without any compromise in robustness and accuracy of the smoothing analysis. The application examples include stress recovery and error estimation in adaptive mesh refinement solutions for an elasticity problem and an aerospace structural component.

Tessler, A.↗

A Block-Structured Adaptive Mesh Framework to Solve Radiation Transfer Equation in Irregular Embedded Geometries

Radiation transport arises in various scientific, industrial, and medical fields, and understanding its effect in applications is needed to make accurate predictions, safety assessments and performance optimizations. Solving the Radiation Transport Equation (RTE) is challenging due to its integro-differential nature, which involves both differential and integral terms. The differential term describes the change in radiation intensity due to absorption and emission, while the integral term accounts for scattering. The accurate modeling of radiation is further complicated in many applications due to the complex, irregular geometries. Various methods exist for solving the RTE, including the zonal, Monte Carlo, spherical harmonics, discrete ordinates, and finite volume methods. Traditional mesh-based approaches, which rely on structured or unstructured meshes, struggle with irregular geometries due to: a) the difficulty of conforming structured grids to irregular domains, b) challenges in enforcing boundary conditions correctly, and c) the additional computational cost of unstructured mesh methods. This work presents a second-order accurate method for solving the RTE in irregular geometries. The radiation intensity is discretized using the finite-volume method in both spatial and angular directions on regular Cartesian grid blocks. Leveraging the block-structured adaptive mesh refinement (AMR) framework provided by AMReX, our method refines the grid locally to reduce spatial discretization error, ensuring a converged numerical solution while minimizing computational costs elsewhere. A two-stage deferred correction approach is employed: First, a first-order discretization on grid blocks is solved using an algebraic multigrid method in HYPRE. Second, a correction term is applied explicitly to achieve second-order accuracy. The correction term is calculated by approximating the radiation flux on cell faces using a Total Variation Diminishing (TVD) scheme. This approach ensures quick convergence of the multigrid method while preserving higher-order accuracy of the numerical solution. Irregular geometries are resolved as embedded boundaries (EB), resulting in both cut cells and regular cells. In cut cells, we modify the fluxes using face fractions and incorporate additional contributions from EB boundary conditions. To ensure higher-order convergence near the EB interface, the correction term is modified by interpolating the radiation intensity to fictitious ghost points. The implementation takes advantage of modern supercomputers by leveraging AMReX’sMPI/X parallelization strategy where X can be MPI or a GPU accelerator including CUDA, HIP and DPC++. We validate our solver using classical test cases, both with and without EB, demonstrating accuracy and efficiency. Additionally, we analyze the impact of adaptive mesh refinement on solution accuracy and computational cost, highlighting the advantages of our approach for high-resolution radiation transport simulations.

computational fluid dynamics (CFD)↗

Advanced Turbulence Models for Large-Scale Atmospheric Boundary Layer Flows

We present high-fidelity large-eddy-simulation (LES) modeling approaches for the turbulent atmospheric boundary layer (ABL) flows. Wind energy is a prime example of an application driven by ABL. Generation of electrical energy from farms of wind turbines at night in the stable ABL is a particularly interesting situation. In this report, we consider the well-known GEWEX (Global Energy and Water Cycle Experiment) Atmospheric Boundary Layer Study (GABLS) stably stratified benchmark LES case. We use a high-order spectral element code Nek5000/RS, which is supported under the DOE's Exascale Computing Project (ECP) Center for Efficient Exascale Discretizations (CEED) project, targeting application simulations on various acceleration-device based exascale computing platforms. In our earlier ANL report, we demonstrated our newly developed subgrid-scale (SGS) models based on high-pass filter (HPF), mean-field eddy viscosity (MFEV), and Smagorinsky (SMG) with no-slip and traction boundary conditions, provided with low-order statistics, convergence and turbulent structure analysis. In this report, we extend the range of our SGS modeling approaches in the context of the mean-field eddy viscosity (MFEV), to include the solution of an SGS turbulent kinetic energy equation (TKE). We demonstrate the model fidelity of Nek5000/RS in comparison to that of AMR-Wind, a block-structured second-order finite-volume code with adaptive-mesh-refinement capabilities, with which we studied scaling performance for both codes in comparison on DOE's leadership computing platforms.

17 WIND ENERGY↗

Computations of Aerodynamic Performance Databases Using Output-Based Refinement

Objectives: Handle complex geometry problems; Control discretization errors via solution-adaptive mesh refinement; Focus on aerodynamic databases of parametric and optimization studies: 1. Accuracy: satisfy prescribed error bounds 2. Robustness and speed: may require over 105 mesh generations 3. Automation: avoid user supervision Obtain "expert meshes" independent of user skill; and Run every case adaptively in production settings.

Nemec, Marian↗

Accelerate microstructure evolution simulation using graph neural networks with adaptive spatiotemporal resolution

Abstract Surrogate models driven by sizeable datasets and scientific machine-learning methods have emerged as an attractive microstructure simulation tool with the potential to deliver predictive microstructure evolution dynamics with huge savings in computational costs. Taking 2D and 3D grain growth simulations as an example, we present a completely overhauled computational framework based on graph neural networks with not only excellent agreement to both the ground truth phase-field methods and theoretical predictions, but enhanced accuracy and efficiency compared to previous works based on convolutional neural networks. These improvements can be attributed to the graph representation, both improved predictive power and a more flexible data structure amenable to adaptive mesh refinement. As the simulated microstructures coarsen, our method can adaptively adopt remeshed grids and larger timesteps to achieve further speedup. The data-to-model pipeline with training procedures together with the source codes are provided.

36 MATERIALS SCIENCE↗

Finite element methods for compressible flows

The problems of mesh generation and developing effective algorithms for the solution of the equations of compressible flow on unstructured meshes are discussed. Adaptive mesh refinement methods can be implemented in a straightforward manner. Possible adaptive strategies are examined. A finite element method adapted to problems involving high speed compressible flow is described. The adaptive mesh regeneration procedure appears to offer the possibility of large computational savings in three dimensional flow computation.

Morgan, K.↗

A hybrid adaptive multiresolution approach for the efficient simulation of reactive flows

Computational studies that use block-structured adaptive mesh refinement (AMR) approaches suffer from unnecessarily high mesh resolution in regions adjacent to important solution features. This deficiency limits the performance of AMR codes. In this work a novel hybrid adaptive multiresolution (HAMR) approach to AMR-based calculations is introduced to address this issue. The multiresolution (MR) smoothness indicators are used to identify regions of smoothness on the mesh where the computational cost of individual physics solvers may be decreased by replacing direct calculations with interpolation. We suggest an approach to balance the errors due to the adaptive discretization and the interpolation of physics quantities such that the overall accuracy of the HAMR solution is consistent with that of the MR-driven AMR solution. The performance of the HAMR scheme is evaluated for a range of test problems, from pure hydrodynamics to turbulent combustion.

97 MATHEMATICS AND COMPUTING↗

Finite element analysis of high speed compressible flows using mesh refinement/movement procedures

An adaptive mesh refinement procedure for analyzing high-speed inviscid and viscous compressible flows is described. The adaptation procedure which uses both quadrilateral and triangular elements is implemented with an explicit finite element formulation. Elements in regions of strong and weak gradients are refined or coarsened based on inviscid and viscous indicators. Nodal locations are also adaptively moved to better resolve flow features. The effectiveness of the finite element procedure is demonstrated by modeling flows with complex shock structure and viscous-inviscid interactions. Numerical results are compared with experimental data.

Ramakrishnan, R.↗

Asynchronous-many-task systems: Challenges and opportunities - Scaling an AMR astrophysics code on exascale machines using Kokkos and HPX

Dynamic and adaptive mesh refinement is pivotal in high-resolution, multi-physics, multi-model simulations, necessitating precise physics resolution in localized areas across expansive domains. Today’s supercomputers’ extreme heterogeneity presents a significant challenge for dynamically adaptive codes, highlighting the importance of achieving performance portability at scale. Our research focuses on astrophysical simulations, particularly stellar mergers, to elucidate early universe dynamics. Here, we present Octo-Tiger, leveraging Kokkos, HPX, and SIMD for portable performance at scale in complex, massively parallel adaptive multi-physics simulations. Octo-Tiger supports diverse processors, accelerators, and network backends. Experiments demonstrate exceptional scalability across several heterogeneous supercomputers including Perlmutter, Frontier, and Fugaku, encompassing major GPU architectures and x86, ARM, and RISC-V CPUs. Parallel efficiency of 47.59% (110,080 cores and 6880 hybrid A100 GPUs) on a full-system run on Perlmutter (26% HPCG peak performance) and 51.37% (using 32,768 cores and 2048 MI250X) on Frontier are achieved.

97 MATHEMATICS AND COMPUTING↗

Object-Oriented Scientific Programming with Fortran 90

Fortran 90 is a modern language that introduces many important new features beneficial for scientific programming. We discuss our experiences in plasma particle simulation and unstructured adaptive mesh refinement on supercomputers, illustrating the features of Fortran 90 that support the object-oriented methodology.

Fortran 90 Supercomputing Object-Oriented Adaptive↗