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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Dyn$\mathrm{AMO}$: Multi-agent reinforcement learning for dynamic anticipatory mesh optimization with applications to hyperbolic conservation laws

Here we introduce DynAMO, a reinforcement learning paradigm for Dynamic Anticipatory Mesh Optimization. Adaptive mesh refinement is an effective tool for optimizing computational cost and solution accuracy in numerical methods for partial differential equations. However, traditional adaptive mesh refinement approaches for time-dependent problems typically rely only on instantaneous error indicators to guide adaptivity. As a result, standard strategies often require frequent remeshing to maintain accuracy. In the DynAMO approach, multi-agent reinforcement learning is used to discover new local refinement policies that can anticipate and respond to future solution states by producing meshes that deliver more accurate solutions for longer time intervals. By applying DynAMO to discontinuous Galerkin methods for the linear advection and compressible Euler equations in two dimensions, we demonstrate that this new mesh refinement paradigm can outperform conventional threshold-based strategies while also generalizing to different mesh sizes, remeshing and simulation times, and initial conditions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

PDE-constrained high-order mesh optimization

Here, we present a novel framework for PDE-constrained r-adaptivity of high-order meshes. The proposed method formulates mesh movement as an optimization problem, with an objective function defined as a convex combination of a mesh quality metric and a measure of the accuracy of the PDE solution obtained via finite element discretization. The proposed formulation achieves optimized, well-defined high-order meshes by integrating mesh quality control, PDE solution accuracy, and robust gradient regularization. We adopt the Target-Matrix Optimization Paradigm to control geometric properties across the mesh, independent of the PDE of interest. To incorporate the accuracy of the PDE solution, we introduce error measures that control the finite element discretization error. The implicit dependence of these error measures on the mesh nodal positions is accurately captured by adjoint sensitivity analysis. Additionally, a convolution-based gradient regularization strategy is used to ensure stable and effective adaptation of high-order meshes. We demonstrate that the proposed framework can improve mesh quality and reduce the error by up to 10 times for the solution of Poisson and linear elasto-static problems. The approach is general with respect to the dimensionality, the order of the mesh, the types of mesh elements, and can be applied to any PDE that admits well-defined adjoint operators.

Computer science↗
NASA NTRS1989

Mesh refinement in finite element analysis by minimization of the stiffness matrix trace

Most finite element packages provide means to generate meshes automatically. However, the user is usually confronted with the problem of not knowing whether the mesh generated is appropriate for the problem at hand. Since the accuracy of the finite element results is mesh dependent, mesh selection forms a very important step in the analysis. Indeed, in accurate analyses, meshes need to be refined or rezoned until the solution converges to a value so that the error is below a predetermined tolerance. A-posteriori methods use error indicators, developed by using the theory of interpolation and approximation theory, for mesh refinements. Some use other criterions, such as strain energy density variation and stress contours for example, to obtain near optimal meshes. Although these methods are adaptive, they are expensive. Alternatively, a priori methods, until now available, use geometrical parameters, for example, element aspect ratio. Therefore, they are not adaptive by nature. An adaptive a-priori method is developed. The criterion is that the minimization of the trace of the stiffness matrix with respect to the nodal coordinates, leads to a minimization of the potential energy, and as a consequence provide a good starting mesh. In a few examples the method is shown to provide the optimal mesh. The method is also shown to be relatively simple and amenable to development of computer algorithms. When the procedure is used in conjunction with a-posteriori methods of grid refinement, it is shown that fewer refinement iterations and fewer degrees of freedom are required for convergence as opposed to when the procedure is not used. The mesh obtained is shown to have uniform distribution of stiffness among the nodes and elements which, as a consequence, leads to uniform error distribution. Thus the mesh obtained meets the optimality criterion of uniform error distribution.

Kittur, Madan G.↗
DOE OSTI2023

Local element operations for curved simplex meshes

Summary Mesh optimization procedures are generally a combination of node smoothing and discrete operations which affect a small number of elements to improve the quality of the overall mesh. These procedures are useful as a post‐processing step in mesh generation procedures and in applications such as fluid simulations with severely deforming domains. In order to perform high‐order mesh optimization, these ingredients must also be extended to high‐order (curved) meshes. In this work, we present a method to perform local element operations on curved meshes. The mesh operations discussed in this work are edge/face swaps, edge collapses, and edge splitting (more generally refinement) for triangular and tetrahedral meshes. These local operations are performed by first identifying the patch of elements which contain the edge/face being acted on, performing the operation as a “straight‐sided one" by placing the high‐order nodes via an isoparametric mapping from the master element, and smoothing the high‐order nodes on the elements in the patch by minimizing a Jacobian‐based high‐order mesh distortion measure. Since the initial “straight‐sided guess” from the placement of the nodes via the isoparametric mapping frequently results in invalid elements, the distortion measure must be regularized which allows for mesh untangling for the optimization to succeed. We present several examples in 2D and 3D to demonstrate these local operations and how they can be combined with a high‐order node smoothing procedure to maintain mesh quality when faced with severe deformations.

Shi, A.↗
DOE OSTI2025

Multi-material ALE remap with interface sharpening using high-order matrix-free finite element methods

The arbitrary Lagrangian-Eulerian (ALE) technique involves remapping field quantities from a Lagrangian mesh to an optimized mesh in a conservative, accurate and bounds-preserving manner. For methods based on arbitrary order finite elements, as described in a reference, material volume fractions are advected in pseudo-time using flux-corrected transport (FCT) without any form of interface reconstruction. In practice, this can lead to excessive propagation of small volume fractions throughout the domain. In addition, this method requires assembly of a global advection matrix to compute the bounds-preserving low-order FCT solution. In this work, we introduce a new approach for ALE remap using a high-order matrix-free technique which incorporates a flux modification to sharpen material interfaces in a conservative manner. Our approach begins with computing a bounds-preserving low-order solution to the ALE remap equations at the element level. We then compute a sharp interface solution (not guaranteed to be bounds-preserving) which comes from solving an augmented version of the ALE remap equations with a conservative flux modification which acts to sharpen material volume fractions based on their gradients and transport directions. Using the sharp interface solution, we make global corrections to the bounds-preserving solution while maintaining preservation of bounds. By blending with the sharpened solution at the global level we are able to globally conserve mass without hindering the remap pseudo-time step. This new interface-aware ALE remap method is based entirely on partial assembly techniques where globally assembled matrix operators are no longer needed, resulting in a globally matrix-free FCT method for multi-material, multi-field ALE remap with high performance on GPU architectures. We present results of our new remap method on 1D, 2D and 3D benchmarks and describe the algorithmic tailoring for GPU architectures that was developed.

Vargas, Arturo [Lawrence Livermore National Labora↗
NASA NTRS2019

Using Power Diagrams to Build Optimal Unstructured Meshes for C-Grid Models

The Model for Prediction Across Scales (MPAS) for Ocean (-O), Sea-Ice (-SI) and Land-Ice (-LI), in addition to the Coastal Ocean Marine Prediction Across Scales (COMPAS) are two novel general circulation models designed to resolve coupled ocean-ice dynamics over variable spatial scales using non-uniform unstructured grids. Both models are based on a conservative mimetic finite-difference/volume formulation (TRiSK), in which staggered momentum, vorticity and mass-based degrees- of-freedom are distributed over an orthogonal 'primal-dual' mesh.

Engwirda, Darren↗
DOE OSTI2023

Not so HOT Triangulations

Here, we propose primal–dual mesh optimization algorithms that overcome shortcomings of the standard algorithm while retaining some of its desirable features. “Hodge-Optimized Triangulations” defines the “HOT energy” as a bound on the discretization error of the diagonalized Delaunay Hodge star operator. HOT energy is a natural choice for an objective function, but unstable for both mathematical and algorithmic reasons: it has minima for collapsed edges, and its extrapolation to non-regular triangulations is inaccurate and has unbounded minima. We propose a different extrapolation with a stronger theoretical foundation, and avoid extrapolation by recalculating the objective just beyond the flip threshold. We propose new objectives, based on normalizations of the HOT energy, with barriers to edge collapses and other undesirable configurations. We propose mesh improvement algorithms coupling these. When HOT optimization nearly collapses an edge, we actually collapse the edge. Otherwise, we use the barrier objective to update positions and weights and remove vertices. By combining discrete connectivity changes with continuous optimization, we more fully explore the space of possible meshes and obtain higher quality solutions.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1995

Adaptive unstructured triangular mesh generation and flow solvers for the Navier-Stokes equations at high Reynolds number

A method for generating high quality unstructured triangular grids for high Reynolds number Navier-Stokes calculations about complex geometries is described. Careful attention is paid in the mesh generation process to resolving efficiently the disparate length scales which arise in these flows. First the surface mesh is constructed in a way which ensures that the geometry is faithfully represented. The volume mesh generation then proceeds in two phases thus allowing the viscous and inviscid regions of the flow to be meshed optimally. A solution-adaptive remeshing procedure which allows the mesh to adapt itself to flow features is also described. The procedure for tracking wakes and refinement criteria appropriate for shock detection are described. Although at present it has only been implemented in two dimensions, the grid generation process has been designed with the extension to three dimensions in mind. An implicit, higher-order, upwind method is also presented for computing compressible turbulent flows on these meshes. Two recently developed one-equation turbulence models have been implemented to simulate the effects of the fluid turbulence. Results for flow about a RAE 2822 airfoil and a Douglas three-element airfoil are presented which clearly show the improved resolution obtainable.

Ashford, Gregory A.↗
NASA NTRS2017

Adjoint-Based Mesh Adaptation for the Sonic Boom Signature Loudness

The mesh adaptation functionality of FUN3D is utilized to obtain a mesh optimized to calculate sonic boom ground signature loudness. During this process, the coupling between the discrete-adjoints of the computational fluid dynamics tool FUN3D and the atmospheric propagation tool sBOOM is exploited to form the error estimate. This new mesh adaptation methodology will allow generation of suitable meshes adapted to reduce the estimated errors in the ground loudness, which is an optimization metric employed in supersonic aircraft design. This new output-based adaptation could allow new insights into meshing for sonic boom analysis and design, and complements existing output-based adaptation techniques such as adaptation to reduce estimated errors in off-body pressure functional. This effort could also have implications for other coupled multidisciplinary adjoint capabilities (e.g., aeroelasticity) as well as inclusion of propagation specific parameters such as prevailing winds or non-standard atmospheric conditions. Results are discussed in the context of existing methods and appropriate conclusions are drawn as to the efficacy and efficiency of the developed capability.

Rallabhandi, Sriram K.↗
DOE OSTI2024

Exploring the Feasibility of INCONEL® ALLOY 740H® for Power Plant Headers: Integrating Machine Learning with Computational Fluid Dynamics (CFD)

This keynote presentation explores the behavior of headers—essential components of pipeline systems—using ANSYS simulation software and machine learning techniques. The study aims to predict the thermal and mechanical performance of headers under diverse conditions through both steady-state and transient simulations. We investigate critical parameters such as heat transfer coefficient, fluid velocity, and temperature to optimize header design. Conducted as part of a DOE project led by NCAT in collaboration with UNC Charlotte, this research encompasses multiple key topics. The initial section focuses on the behavior of header systems under steady-state conditions using ANSYS simulation. It underscores the importance of headers in industrial infrastructure, especially in the energy sector, and examines the implications of material selection and flow direction on heat transfer dynamics. Methodologically, we employ Computational Fluid Dynamics (CFD) analysis through ANSYS, detailing the development of models, material properties, geometry specifications, boundary conditions, and meshing strategies. Our simulations explore various operational parameters, including temperature and mass flow rates, crucial for predicting heat transfer coefficients and enhancing header design. Results from the study include parametric investigations into mesh sensitivity, viscosity model evaluations, and the effects of heat transfer locations, all validated against theoretical calculations. We conclude with insights on mesh optimization, the suitability of viscosity models, and recommendations for future research aimed at improving header system efficiency and sustainability in industrial applications.

20 FOSSIL-FUELED POWER PLANTS↗
NASA NTRS1991

Research on inverse, hybrid and optimization problems in engineering sciences with emphasis on turbomachine aerodynamics: Review of Chinese advances

Advances in inverse design and optimization theory in engineering fields in China are presented. Two original approaches, the image-space approach and the variational approach, are discussed in terms of turbomachine aerodynamic inverse design. Other areas of research in turbomachine aerodynamic inverse design include the improved mean-streamline (stream surface) method and optimization theory based on optimal control. Among the additional engineering fields discussed are the following: the inverse problem of heat conduction, free-surface flow, variational cogeneration of optimal grid and flow field, and optimal meshing theory of gears.

Liu, Gao-Lian↗
NASA NTRS2003

Three-Dimensional Morphological Analysis of ALH84001 Magnetite Using Electron Tomography

We report here the crystal morphologies of MV-1 and ALH84001 magnetites as calculated by back-projection using electron tomography. In the present study, we used a 300 keV TEM with a field emission gun (Tecnai F-30 from FEI Inc.), equipped with a 2048 x 2048 pixel CCD camera from Gatan Inc. to image magnetite crystals over tilt ranges of approx. +/- 72 deg in 2 deg tilt intervals. The images were aligned for back-projection, either manually, or through the use of fiducial 5 nm Au spheres affixed to the specimen prior to microscopy. Three-dimensional (3-D) reconstructions were computed using weighted back-projection of the tilted views. The tomograms were viewed and analyzed as a series of slices 1.0 nm thick, taken parallel to the specimen-supporting grid, using the IMOD software package. The shape of each magnetite crystal was determined by defining the external contour of a given magnetite in each slice and assembling a stack of these contours in 3-D. To aid in visualization, the stacked contour array was reduced to an optimal mesh by Delaunay triangulation. The surface normal to each of the triangles in the mesh was calculated and the triangle faces colored according to the orientation of that surface normal relative to the principal crystallographic axis of magnetite. Green surfaces correspond to {111} orientations, blue surfaces to {100} orientations, and red surfaces to {110} orientations. Triangles whose surface normal did not correspond to one of the principal axes were colored gray. Within the experimental and numerical uncertainties of the deconvolution, the tomographic reconstruction of both MV-1 and ALH84001 magnetites are equivalent and correspond to a truncated hexa-octahedral morphology.

Thomas-Keprta, Kathie L.↗