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At least 199 records · Page 11

A Framework for Compressing Unstructured Scientific Data via Serialization

We present a general framework for compressing unstructured scientific data with known local connectivity. A common application is simulation data defined on arbitrary finite element meshes. The framework employs a greedy topology preserving reordering of original nodes which allows for seamless integration into existing data processing pipelines. This reordering process depends solely on mesh connectivity and can be performed offline for optimal efficiency. However, the algorithm’s greedy nature also supports on-the-fly implementation. The proposed method is compatible with any compression algorithm that leverages spatial correlations within the data. The effectiveness of this approach is demonstrated on a large-scale real dataset using several compression methods, including MGARD, SZ, and ZFP.

Reshniak, Viktor [ORNL] (ORCID:0000000315454462)↗

Improved Time-Stepping Methods in Global to Regional Ocean Modeling

Improvements in time-stepping schemes can provide substantial improvements in the throughput of global ocean-climate models, but is challenging due to large variations in time scales in the dynamics and spatial scales in the global, variable resolution mesh. Two funded projects aim to speed up the Model for Prediction Across Scales-Ocean (MPAS-Ocean). The first will add a variable-timestepping formulation to MPAS-Ocean, which is a critical step towards running efficiently on global variable-resolution meshes with regional and coastal refinement. The second optimizes the barotropic (depth-integrated) mode, which is currently a performance bottleneck at high core counts. The proposed compute time will be used for extensive model validation and parameter studies for both methods.

54 ENVIRONMENTAL SCIENCES↗

Crosslink V.0.11.x User Manual

CrossLink is a novel two-dimensional and three-dimensional geometry and mesh generation software package developed by the Simulation Tools team at Los Alamos National Laboratory. This software represents the third generation of topology-based mesh generation technology developed by the Department of Defense and the Department of Energy with a special focus on complex multi-material hydrodynamic applications, mesh scalability, and high-order element mesh generation. The topology-based meshing approach offered by CrossLink enables users to quickly and easily mesh complex geometries in a repeatable and robust manner. CrossLink’s topology-based meshing approach is well-suited for parametric design studies, parametric design optimization, damage scenario assessment, and iterative design modification (i.e. feature addition and/or removal). CrossLink’s python API allows workflow scripting of the geometry creation and mesh generation process for traceability, repeatability, data provenance, and version control. CrossLink consists of three main components: a graphical user interface (GUI), a geometry creation and mesh generation engine, and a python API that provides a workflow scripting interface to the geometry and meshing functions.

97 MATHEMATICS AND COMPUTING↗

Optimization of a Lunar Pallet Lander Reinforcement Structure Using a Genetic Algorithm

This paper presents a design automation process using optimization via a genetic algorithm to design the conceptual structure of a Lunar Pallet Lander. The goal is to determine a design that will have the primary natural frequencies at or above a target value as well as minimize the total mass. Several iterations of the process are presented. First, a concept optimization is performed to determine what class of structure would produce suitable candidate designs. From this a stiffened sheet metal approach was selected leading to optimization of beam placement through generating a two-dimensional mesh and varying the physical location of reinforcing beams. Finally, the design space is reformulated as a binary problem using 1-dimensional beam elements to truncate the design space to allow faster convergence and additional mechanical failure criteria to be included in the optimization responses. Results are presented for each design space configuration. The final flight design was derived from these results.

Burt, Adam O.↗

Adjoint-Based Algorithms for Adaptation and Design Optimizations on Unstructured Grids

Schemes based on discrete adjoint algorithms present several exciting opportunities for significantly advancing the current state of the art in computational fluid dynamics. Such methods provide an extremely efficient means for obtaining discretely consistent sensitivity information for hundreds of design variables, opening the door to rigorous, automated design optimization of complex aerospace configuration using the Navier-Stokes equation. Moreover, the discrete adjoint formulation provides a mathematically rigorous foundation for mesh adaptation and systematic reduction of spatial discretization error. Error estimates are also an inherent by-product of an adjoint-based approach, valuable information that is virtually non-existent in today's large-scale CFD simulations. An overview of the adjoint-based algorithm work at NASA Langley Research Center is presented, with examples demonstrating the potential impact on complex computational problems related to design optimization as well as mesh adaptation.

Nielsen, Eric J.↗

Optimization of the Second Target Station cold source moderators using an automated workflow

The Second Target Station (STS) at the US Department of Energy’s Oak Ridge National Laboratory is designed to become the world’s highest peak-brightness spallation source of cold neutrons. Successful completion of the STS, which is currently in the preliminary design phase, will provide transformative new capabilities to examine novel materials for future technologies. At STS, neutrons will be generated by spallation reactions in a solid tungsten target. They will be moderated and thermalized in two cold (20 K) para-hydrogen moderators. Careful optimization of these moderators is essential to the project’s success. To find optimal moderator designs, an advanced optimization workflow integrates high-fidelity neutronics calculations using the Monte Carlo N-Particle (MCNP) transport code MCNP6.2 with state-of-the-art optimization algorithms in the Dakota optimization toolkit. For each design iteration, a parametrized solid CAD geometry is generated in Creo and automatically converted into an unstructured mesh geometry by Attila 4MC for the neutronics calculation with MCNP. Iterations repeat until optimal designs are found. Herein this paper presents the results of a sensitivity and optimization study for the cylindrical and tube moderators. Both moderators can be optimized for maximum peak brightness, maximum time-integrated brightness, or any combination between these extremes. Maximum peak brightness is achieved by using smaller optimal dimensions of the moderators, whereas maximum time-integrated brightness is achieved by using larger dimensions. A Pareto front details the designs that optimally balance both brightness metrics. The Pareto front can be found in only 40–110 iterations with 4–5 design parameters when using the efficient global and Pareto-set optimization algorithms in Dakota. Additionally, important engineering constraints can be taken into account, such as the coupling between the cylindrical moderator radius and aluminum vessel wall thicknesses required to ensure structural integrity of the vessels. This interaction has a significant impact on the resulting optimal designs. Our new, highly efficient, fully automated optimization workflow will be used to optimize additional STS components in the future and can be adopted for design and optimization studies at other experimental neutron and accelerator facilities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

The 'optimum' upwind advection on a triangular mesh

For advection schemes based on fluctuation splitting, a design criterion of optimizing the time step leads to linear schemes that coincide with those designed for least truncation error. A further stage of optimizing the time step using a nonlinear positivity criterion, leads to considerable further gains in resolution.

Roe, P. L.↗

Actuator Grouping Optimization on Flexible Space Reflectors

With the rapid advances in deployable membrane and mesh antenna technologies, the feasibility of developing large, lightweight reflectors has greatly improved. In order to achieve the required surface accuracy, precision surface control is needed on these lightweight reflectors. For this study, an analytical model is shown which combines a flexible Kapton reflector with Polyvinylidene fluoride (PVDF) actuators for surface control. Surface errors are introduced that are similar to real world scenarios, and a least squares control algorithm is developed for surface control. Experimental results on a 2.4 meter reflector show that while the analytical reflector model is generally correct, due to idiosyncrasies in the reflector it cannot be used for online control. A new method called the En Mass Elimination algorithm is used to determine the optimal grouping of actuators when the number of actuators in the system exceeds the number of power supplies available.

en masse elimination (EME) algorithm↗

Adaptive Space-Time Methods for Large Scale Optimal Design

When modeling complex physical systems with advanced dynamics, such as shocks and singularities, many classic methods for solving partial differential equations can return inaccurate or unusable results. One way to resolve these complex dynamics is through r-adaptive refinement methods, in which a fixed number of mesh points are shifted to areas of high interest. The mesh refinement map can be found through the solution of the Monge-Ampére equation, a highly nonlinear partial differential equation. Due to its nonlinearity, the numerical solution of the Monge-Ampére equation is nontrivial and has previously required computationally expensive methods. In this report, we detail our novel optimization-based, multigrid-enabled solver for a low-order finite element approximation of the Monge-Ampére equation. This fast and scalable solver makes r-adaptive meshing more readily available for problems related to large-scale optimal design. Beyond mesh adaptivity, our report discusses additional applications where our fast solver for the Monge-Ampére equation could be easily applied.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Usage of ChatGPT for Engineering Design and Analysis Tool Development

ChatGPT, a generative AI large language model, has recently captured significant attention in both the computer science community and the broader public domain. It has demonstrated a wide range of capabilities, from answering simple questions to writing fully functional computer code. This study spotlights both the capabilities and limitations of ChatGPT when addressing engineering problems. The model's capacity to generate practical engineering tools is highlighted through an example of a prompt that leads to an interactive plotting tool, enabling the examination of the fluid boundary layer around a fan blade. Subsequently, the paper also uncovers potential pitfalls in ChatGPT’s application, shown through an unsuccessful attempt to use ChatGPT to automate a process in Ansys Workbench through scripting. The research further investigates ChatGPT's proficiency in addressing inquiries and providing explanations about the functionalities of OpenMDAO, an open-source, multidisciplinary design, analysis, and optimization tool developed at NASA Glenn Research Center. Finally, an optimization methodology, developed with ChatGPT’s help, is applied to the structural optimization of a fan blade. The developed optimization method utilizes T-Blade3 for geometry generation, Ansys Mechanical for meshing and finite element analysis, and sci-kit learn’s MLPRegressor method to generate a trained neural network model of the design space. OpenMDAO is then used to find the optimal point within the design space. The outcome is a significant reduction in stress in the optimized model—less than one-fifth of the stress value in the baseline model.

Design↗

Usage of ChatGPT for Engineering Design and Analysis Tool Development

ChatGPT, a generative AI large language model, has recently captured significant attention in both the computer science community and the broader public domain. It has demonstrated a wide range of capabilities, from answering simple questions to writing fully functional computer code. This study spotlights both the capabilities and limitations of ChatGPT when addressing engineering problems. The model's capacity to generate practical engineering tools is highlighted through an example of a prompt that leads to an interactive plotting tool, enabling the examination of the fluid boundary layer around a fan blade. Subsequently, the paper also uncovers potential pitfalls in ChatGPT’s application, shown through an unsuccessful attempt to use ChatGPT to automate a process in Ansys Workbench through scripting. The research further investigates ChatGPT's proficiency in addressing inquiries and providing explanations about the functionalities of OpenMDAO, an open-source, multidisciplinary design, analysis, and optimization tool developed at NASA Glenn Research Center. Finally, an optimization methodology, developed with ChatGPT’s help, is applied to the structural optimization of a fan blade. The developed optimization method utilizes T-Blade3 for geometry generation, Ansys Mechanical for meshing and finite element analysis, and sci-kit learn’s MLPRegressor method to generate a trained neural network model of the design space. OpenMDAO is then used to find the optimal point within the design space. The outcome is a significant reduction in stress in the optimized model—less than one-fifth of the stress value in the baseline model.

Design↗

Multilevel Error Estimation and Adaptive h-Refinement for Cartesian Meshes with Embedded Boundaries

This paper presents the development of a mesh adaptation module for a multilevel Cartesian solver. While the module allows mesh refinement to be driven by a variety of different refinement parameters, a central feature in its design is the incorporation of a multilevel error estimator based upon direct estimates of the local truncation error using tau-extrapolation. This error indicator exploits the fact that in regions of uniform Cartesian mesh, the spatial operator is exactly the same on the fine and coarse grids, and local truncation error estimates can be constructed by evaluating the residual on the coarse grid of the restricted solution from the fine grid. A new strategy for adaptive h-refinement is also developed to prevent errors in smooth regions of the flow from being masked by shocks and other discontinuous features. For certain classes of error histograms, this strategy is optimal for achieving equidistribution of the refinement parameters on hierarchical meshes, and therefore ensures grid converged solutions will be achieved for appropriately chosen refinement parameters. The robustness and accuracy of the adaptation module is demonstrated using both simple model problems and complex three dimensional examples using meshes with from 10(exp 6), to 10(exp 7) cells.

Aftosmis, M. J.↗

Coupled beam-target-moderator optimization for the Second Target Station

To support the design of the Second Target Station, that aims to provide the world’s highest peak brightness of cold neutrons, studies that optimize the dimensions of the target and moderators are invaluable. In this work, we investigate the influence of the target dimensions and beam profile on the performance and optimal size of the moderators. We perform optimization runs with detailed MCNP6.2 simulations using high-fidelity unstructured mesh geometries generated from parametrized CAD models. We demonstrate that small changes in target height do not influence the moderator performance if the beam dimensions are chosen adequately. We quantify the effect of beam footprint and target width on the moderator performance and show that the optimal moderator dimensions are insensitive to limited changes in target and beam profile.

Dakota↗

Extending PETSc’s Composable, Hierarchical, Nested Solvers (Final Report)

For this project, I have focused mainly on developing discretization tech nology in PETSc in order to allow us to support optimal solvers for com plex, multiphysics problems, and also outer-loop problems, such as PDE constrained optimization. There have been improvements to the unstruc tured mesh support in DMPlex and particle discretizations in DMSwarm. In addition, we have produced a number of physical examples, tutorials, and tools for understanding performance.

97 MATHEMATICS AND COMPUTING↗

Microwave Cavity Simulation Using Ansys HFSS

The design of microwave cavity detectors for axion dark matter research is often accomplished using advanced full-wave electromagnetic simulation software tools. These tools provide a cost-effective approach to evaluate a wide variety of cavity configurations, frequency tuning mechanisms, and conductive or dielectric materials and coatings. One simulation software package used for this application is Ansys High Frequency Structure Simulator (HFSS), which is based upon the well-established finite element method. HFSS includes numerous features useful for microwave cavity design such as parametric geometry modeling, adaptive meshing algorithm, curvilinear mesh elements, driven modal and eigenmode matrix solvers, and optimization algorithms. This paper describes the use of the HFSS software to simulate microwave cavities for axion haloscope detectors, with an example tutorial for a cylindrical cavity. Excellent agreement between the simulated and analytical results is shown for the resonant frequency, quality factor, and form factor.

Ansys HFSS, Cavity simulation, finite element mode↗

Fuel performance analysis of fully-resolved TRISO compact

The TRi-structural ISOtropic (TRISO) fuel multilayered coating structure offers multiple barriers to fission product release, enhancing safety and performance. The heterogeneous nature of TRISO fuel compacts, comprising thousands of randomly distributed coated fuel particles embedded in a graphite matrix, creates intricate stress fields and thermal gradients that cannot be accurately modeled using simplified one-dimensional or homogenized approaches. Consequently, three-dimensional modeling enables the prediction of fuel compact dimensional changes, internal pressure buildup, and fission product transport pathways under diverse irradiation and thermal conditions. This capability facilitates detailed analysis of particle-to-particle interactions, matrix cracking mechanisms, and the statistical distribution of coating failures, which directly impact fuel performance and safety margins. This capability is particularly critical for advanced reactors, such as high-temperature gas-cooled reactors and other Generation IV reactor designs where TRISO fuel operates at elevated temperatures and burn-up levels. This work introduces a novel method to generate an optimized packing of TRISO compacts and a complete 3D mesh with random distribution of TRISO particles, which are discretized into each coating component layer.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Preconditioning Operators on Unstructured Grids

We consider systems of mesh equations that approximate elliptic boundary value problems on arbitrary (unstructured) quasi-uniform triangulations and propose a method for constructing optimal preconditioning operators. The method is based upon two approaches: (1) the fictitious space method, i.e., the reduction of the original problem to a problem in an auxiliary (fictitious) space, and (2) the multilevel decomposition method, i.e., the construction of preconditioners by decomposing functions on hierarchical meshes. The convergence rate of the corresponding iterative process with the preconditioner obtained is independent of the mesh step. The preconditioner has an optimal computational cost: the number of arithmetic operations required for its implementation is proportional to the number of unknowns in the problem. The construction of the preconditioning operators for three dimensional problems can be done in the same way.

Nepomnyaschikh, S. V.↗

RDE Nozzle Computational Design Methodology Development and Application

The Open National Combustion Code (OpenNCC) is used to simulate the aerospike exhaust nozzle region of a rotating detonation engine (RDE).The main objectives of the current study are twofold. The first goal is to validate the proposed computational methodology using the experimental data. The second goal is to demonstrate how the validated prediction tool can be used to optimize the nozzle geometry. To achieve a significant speed-up of computational time, the computational domain in divided into two parts: a combustion region and a throat-nozzle section. In the combustion region, a validated quasi-two-dimensional in-house code is utilized to generate an unsteady RDE flow field solution just upstream of the combustor throat. Subsequently, the unsteady flow data is fed into the three-dimensional throat-nozzle section as the inflow boundary condition. This facilitates the design optimization process since the unsteady inflow can be reused, and a relatively coarse mesh (i.e., larger time-step) can be used to analyze the flow fields around the nozzle. Five nozzle designs were studied and the predicted performance (i.e., thrust)compared. The optimized nozzle was found to produce 3.2% more overall thrust than a baseline nozzle design. Without the nozzle, there is a large low-pressure region at the throat exit, which significantly reduces the overall performance. This methodology is shown to be a promising approach to explore a wide variety of nozzle geometries in a relatively short amount of time.

CFD↗