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At least 289 records · Page 16

Release on the Virtual Test Bed of an MSRE thermal hydraulics model

The nuclear industry is taking leaps in innovations with companies seeking a sustainable energy future through advanced nuclear reactors. The \gls{DOE}’s \gls{neams} program seeks to substantiate and bolster the deployment of advanced reactors through flexible multifidelity, multiphysics simulations of advanced nuclear reactors. Applications like SAM for one-dimensional systems thermal-hydraulics, and Pronghorn for multidimensional coarse mesh thermal-hydraulics, are geared to support innovations in industry by facilitating design, optimization, and licensing of advanced nuclear reactors. Coupling systems thermal-hydraulics and computational fluid dynamics codes can be difficult as the pressure coupling converges slowly; however, it is important to obtain the desired accuracy in each part of the primary loop. The authors of this model created an \gls{odc}~\cite{Mau23} approach to coupling SAM and Pronghorn. Leveraging this coupling technique, a \gls{msre} model was developed and released to the \gls{neams}/\gls{nric} \gls{vtb}. The \gls{msre} was chosen to be modeled because of the wealth of experimental data available and because of the strong physics coupling between the core and primary circuit \cite{doi:10.13182/NT8-2-118}. This document contextualizes the history of the \gls{msre}, describes the thermal hydraulics models used, and detail the implementation of multidimensional thermal-hydraulics and system codes based on the \gls{odc} method~\cite{Penn} for the \gls{msre} model. Finally, this document presents how other modelers could apply the SAM-Pronghorn \gls{odc} for other advanced reactor models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Release on the Virtual Test Bed of a Molten Salt Reactor Experiment SAM-Pronghorn Coupled Model using the Domain Overlapping Approach

The nuclear industry is taking leaps in innovations with companies seeking a sustainable energy future through advanced nuclear reactors. The Department of Energy (DOE)’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program seeks to substantiate and bolster the deployment of advanced reactors through flexible multifidelity, multiphysics simulations of advanced nuclear reactors. Applications like SAM for one-dimensional systems thermalhydraulics, and Pronghorn for multidimensional coarse mesh thermal-hydraulics, are geared to support innovations in industry by facilitating design, optimization, and licensing of advanced nuclear reactors. Coupling systems thermal-hydraulics and computational fluid dynamics codes can be difficult as the pressure coupling converges slowly; however, it is important to obtain the desired accuracy in each part of the primary loop. The authors of this model created an Overlapping-Domain Coupling (ODC) approach to coupling SAM and Pronghorn. Leveraging this coupling technique, a Molten Salt Reactor Experiment (MSRE) model was developed and released to the NEAMS/National Reactor Innovation Center (NRIC) Virtual Test Bed (VTB). The MSRE was chosen to be modeled because of the wealth of experimental data available and because of the strong physics coupling between the core and primary circuit. This paper contextualizes the history of the MSRE, describes the thermal hydraulics models used, and detail the implementation of multidimensional thermal-hydraulics and system codes based on the ODC method for the MSRE model. Finally, this paper presents how other modelers could apply the SAM Pronghorn ODC for other advanced reactor models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

An experimental investigation on the characteristics of heat pipes with annular type composite wick structure

Here, an experimental investigation has been conducted on the hydraulic characteristics of annular type wick structures for heat pipes. An experimental facility which can measure porosity, permeability, and effective pore radius of the wick structures in a vacuum condition is established. Nine different types of multi-layered (6 layers in total) composite screen meshes are characterized. Based on the measurement results, a wick structure composed of one layer of 100×100 mesh, three layers of 400×400 mesh, and two layers of 60×60 mesh is determined to have the highest permeability to effective pore radius ratio $(K/r_{eff})$ and was selected as a targeted sample. The wick-to-wall gap effect on the hydraulic characteristics of annular type wick structure is also investigated by measuring the permeability and effective pore radius of the sample wick structure with varying gap widths. The result shows that the permeability increases as the gap increases from 0 mm to 1.2 mm. After a peak at 1.2 mm, the permeability decreases as the gap increases and converges to the value of the case measured without a wall structure. The effective pore radius becomes smaller as the gap increases, making a peak at a gap distance of 1.2 mm. This result implies that there is an optimal point in gap distance which is determined to be 1.2 mm for the selected composite mesh structure. A capillary limitation correlation with a multiplying factor which explains the enhanced performance of the wick due to the gap is suggested. An annular wick type heat pipe is constructed and tested. The capillary limitation of the heat pipe showed good agreement with the suggested correlation.

42 ENGINEERING↗

Finite elements for Matérn-type random fields: Uncertainty in computational mechanics and design optimization

This work highlights an approach for incorporating realistic uncertainties into scientific computing workflows based on finite elements, focusing on prevalent applications in computational mechanics and design optimization. We leverage Matérn-type Gaussian random fields (GRFs) generated using the SPDE method to model aleatoric uncertainties, including environmental influences, variating material properties, and geometric ambiguities. Our focus lies on delivering practical GRF realizations that accurately capture imperfections and variations and understanding how they impact the predictions of computational models as well as the shape and topology of optimized designs. Here we describe a numerical algorithm based on solving a generalized SPDE to sample GRFs on arbitrary meshed domains. The algorithm leverages established techniques and integrates seamlessly with the open-source finite element library MFEM and associated scientific computing workflows, like those found in industrial and national laboratory settings. Our solver scales efficiently for large-scale problems and supports various domain types, including surfaces and embedded manifolds. We showcase its versatility through biomechanics and topology optimization applications, emphasizing the potential to influence these domains. The flexibility and efficiency of SPDE-based GRF generation empowers us to run large-scale optimization problems on 2D and 3D domains, including finding optimized designs on embedded surfaces, and to generate design features and topologies beyond the reach of conventional techniques. Moreover, these capabilities allow us to model and quantify geometric uncertainties on reconstructed submanifolds, such as the interpolated surfaces of cerebral aneurysms provided by postprocessing CT scans. In addition to offering benefits in these specific domains, the proposed techniques transcend specific applications and generalize to arbitrary forward and backward problems in uncertainty quantification involving finite elements.

97 MATHEMATICS AND COMPUTING↗

Design optimization of space structures

The topology-shape-size optimization of space structures is investigated through Kikuchi's homogenization method. The method starts from a 'design domain block,' which is a region of space into which the structure is to materialize. This domain is initially filled with a finite element mesh, typically regular. Force and displacement boundary conditions corresponding to applied loads and supports are applied at specific points in the domain. An optimal structure is to be 'carved out' of the design under two conditions: (1) a cost function is to be minimized, and (2) equality or inequality constraints are to be satisfied. The 'carving' process is accomplished by letting microstructure holes develop and grow in elements during the optimization process. These holes have a rectangular shape in two dimensions and a cubical shape in three dimensions, and may also rotate with respect to the reference axes. The properties of the perforated element are obtained through an homogenization procedure. Once a hole reaches the volume of the element, that element effectively disappears. The project has two phases. In the first phase the method was implemented as the combination of two computer programs: a finite element module, and an optimization driver. In the second part, focus is on the application of this technique to planetary structures. The finite element part of the method was programmed for the two-dimensional case using four-node quadrilateral elements to cover the design domain. An element homogenization technique different from that of Kikuchi and coworkers was implemented. The optimization driver is based on an augmented Lagrangian optimizer, with the volume constraint treated as a Courant penalty function. The optimizer has to be especially tuned to this type of optimization because the number of design variables can reach into the thousands. The driver is presently under development.

Felippa, Carlos↗

Mitigation of Engine Inlet Distortion Through Adjoint-Based Design

The adjoint-based design capability in FUN3D is extended to allow efficient gradient- based optimization and design of concepts with highly integrated aero-propulsive systems. A circumferential distortion calculation, along with the derivatives needed to perform adjoint-based design, have been implemented in FUN3D. This newly implemented distortion calculation can be used not only for design but also to drive the existing mesh adaptation process and reduce the error associated with the fan distortion calculation. The design capability is demonstrated by the shape optimization of an in-house aircraft concept equipped with an aft fuselage propulsor. The optimization objective is the minimization of flow distortion at the aerodynamic interface plane of this aft fuselage propulsor.

Ordaz, Irian↗

A rapid assay for assessing bacterial effects on Arabidopsis thermotolerance

Abstract Background The role of beneficial microbes in mitigating plant abiotic stress has received considerable attention. However, the lack of a reproducible and relatively high-throughput screen for microbial contributions to plant thermotolerance has greatly limited progress in this area, this slows the discovery of novel beneficial isolates and the processes by which they operate. Results We designed a rapid phenotyping method to assess the effects of bacteria on plant host thermotolerance. After testing multiple growth conditions, a hydroponic system was selected and used to optimize an Arabidopsis heat shock regime and phenotypic evaluation. Arabidopsis seedlings germinated on a PTFE mesh disc were floated onto a 6-well plate containing liquid MS media, then subjected to heat shock at 45 °C for various duration. To characterize phenotype, plants were harvested after four days of recovery to measure chlorophyll content. The method was extended to include bacterial isolates and to quantify bacterial contributions to host plant thermotolerance. As an exemplar, the method was used to screen 25 strains of the plant growth promoting Variovorax spp. for enhanced plant thermotolerance. A follow-up study demonstrated the reproducibility of this assay and led to the discovery of a novel beneficial interaction. Conclusions This method enables rapid screening of individual bacterial strains for beneficial effects on host plant thermotolerance. The throughput and reproducibility of the system is ideal for testing many genetic variants of Arabidopsis and bacterial strains.

59 BASIC BIOLOGICAL SCIENCES↗

Aerodynamic Shape Optimization of Complex Aircraft Configurations via an Adjoint Formulation

This work describes the implementation of optimization techniques based on control theory for complex aircraft configurations. Here control theory is employed to derive the adjoint differential equations, the solution of which allows for a drastic reduction in computational costs over previous design methods (13, 12, 43, 38). In our earlier studies (19, 20, 22, 23, 39, 25, 40, 41, 42) it was shown that this method could be used to devise effective optimization procedures for airfoils, wings and wing-bodies subject to either analytic or arbitrary meshes. Design formulations for both potential flows and flows governed by the Euler equations have been demonstrated, showing that such methods can be devised for various governing equations (39, 25). In our most recent works (40, 42) the method was extended to treat wing-body configurations with a large number of mesh points, verifying that significant computational savings can be gained for practical design problems. In this paper the method is extended for the Euler equations to treat complete aircraft configurations via a new multiblock implementation. New elements include a multiblock-multigrid flow solver, a multiblock-multigrid adjoint solver, and a multiblock mesh perturbation scheme. Two design examples are presented in which the new method is used for the wing redesign of a transonic business jet.

Reuther, James↗

A Practical Approach to Obstacle Field Route Planning for Unmanned Rotorcraft

Autonomous helicopter operations in the near-earth environment will require robust and efficient obstacle field route planning. A method for obstacle field route planning is presented, which is composed of a mesh generation phase, a graph search phase, and a route refinement phase. The method mixes optimization and heuristics to obtain a satisfactory solution quickly. Simulations based on an unmanned helicopter model are presented.

Howlet, Jason K.↗

Finite element mesh refinement criteria for stress analysis

This paper discusses procedures for finite-element mesh selection and refinement. The objective is to improve accuracy. The procedures are based on (1) the minimization of the stiffness matrix race (optimizing node location); (2) the use of h-version refinement (rezoning, element size reduction, and increasing the number of elements); and (3) the use of p-version refinement (increasing the order of polynomial approximation of the elements). A step-by-step procedure of mesh selection, improvement, and refinement is presented. The criteria for 'goodness' of a mesh are based on strain energy, displacement, and stress values at selected critical points of a structure. An analysis of an aircraft lug problem is presented as an example.

Kittur, Madan G.↗

Portable interactive visualization of large-scale simulations in geotechnical engineering using Unity3D

Development in large-scale geotechnical engineering simulation places tremendous demand for efficient visualization of such simulation data. This study presents a lightweight software tool, i.e. Geotechnical Interactive Visualization (GIV), as a solution to this challenge, which achieves efficient interactive visualization of large-scale simulations data in geotechnical engineering. Visualization data flow and algorithms specifically optimized for common geotechnical engineering applications are implemented in GIV. GIV can visualize geotechnical structure models with time-varying attributes attached to mesh with fixed topology, and also models with time-varying mesh topologies but no attributes attached, the two most common visualization tasks in geotechnical engineering. Furthermore, challenges for large-scale simulation data visualization, including parallel simulation data redundancy, massive data size, dynamic user interaction, and portability are overcome via specifically designed algorithms for simulation data preprocessing and optimized visualization modules using the powerful 3D rendering and interactive game engine Unity3D. Comparison of GIV with several widely used visualization tools for the visualization of large-scale idealized datasets and realistic geotechnical simulations highlights the visualization efficiency, smooth interactivity, and lightweight features of GIV.

42 ENGINEERING↗

Maximum life spiral bevel reduction design

Optimization is applied to the design of a spiral bevel gear reduction for maximum life at a given size. A modified feasible directions search algorithm permits a wide variety of inequality constraints and exact design requirements to be met with low sensitivity to initial values. Gear tooth bending strength and minimum contact ratio under load are included in the active constraints. The optimal design of the spiral bevel gear reduction includes the selection of bearing and shaft proportions in addition to gear mesh parameters. System life is maximized subject to a fixed back-cone distance of the spiral bevel gear set for a specified speed ratio, shaft angle, input torque, and power. Significant parameters in the design are: the spiral angle, the pressure angle, the numbers of teeth on the pinion and gear, and the location and size of the four support bearings. Interpolated polynomials expand the discrete bearing properties and proportions into continuous variables for gradient optimization. After finding the continuous optimum, a designer can analyze near optimal designs for comparison and selection. Design examples show the influence of the bearing lives on the gear parameters in the optimal configurations. For a fixed back-cone distance, optimal designs with larger shaft angles have larger service lives.

Savage, M.↗

CSRI Summer Proceedings 2021

The Computer Science Research Institute (CSRI) brings university faculty and students to Sandia National Laboratories for focused collaborative research on Department of Energy (DOE) computer and computational science problems. The institute provides an opportunity for university researches to learn about problems in computer and computational science at DOE laboratories, and help transfer results of their research to programs at the labs. Some specific CSRI research interest areas are: scalable solvers, optimization, algebraic preconditioners, graph-based, discrete, and combinatorial algorithms, uncertainty estimation, validation and verification methods, mesh generation, dynamic load-balancing, virus and other malicious-code defense, visualization, scalable cluster computers, beyond Moore’s Law computing, exascale computing tools and application design, reduced order and multiscale modeling, parallel input/output, and theoretical computer science. The CSRI Summer Program is organized by CSRI and includes a weekly seminar series and the publication of a summer proceedings.

97 MATHEMATICS AND COMPUTING↗

CSRI Summer Proceedings 2021

The Computer Science Research Institute (CSRI) brings university faculty and students to Sandia National Laboratories for focused collaborative research on Department of Energy (DOE) computer and computational science problems. The institute provides an opportunity for university researches to learn about problems in computer and computational science at DOE laboratories, and help transfer results of their research to programs at the labs. Some specific CSRI research interest areas are: scalable solvers, optimization, algebraic preconditioners, graph-based, discrete, and combinatorial algorithms, uncertainty estimation, validation and verification methods, mesh generation, dynamic load-balancing, virus and other malicious-code defense, visualization, scalable cluster computers, beyond Moore’s Law computing, exascale computing tools and application design, reduced order and multiscale modeling, parallel input/output, and theoretical computer science. The CSRI Summer Program is organized by CSRI and includes a weekly seminar series and the publication of a summer proceedings.

97 MATHEMATICS AND COMPUTING↗

Leveraging a Neural Network-Enhanced Reproducing Kernel Particle Method for Multiphysics Degradation Modeling of Energy Storage Materials

Energy storage materials exhibit strong electro-chemo-mechanical coupling and highly anisotropic material properties, contributing to the formation and propagation of micro-cracking during charge/discharge cycling and resulting in reduced performance and service life. A coupled electro-chemo-mechanical reproducing kernel particle method (RKPM) formulation has been developed to analyze this system. With microstructural images supplied by the National Renewable Energy Laboratory (NREL), pixel-based model construction by RKPM is used to represent the complex material microstructures that dictate the coupled physics of these systems. Traditional electro-chemo-mechanical models rely on mesh-based finite element methods, which can lead to difficulties in meshing such complex geometries and capturing crack propagation due to mesh dependency. Here, a neural network-enhanced reproducing kernel particle method (NN-RKPM) [1, 2] is introduced to effectively model damage and crack propagation in the material microstructures; the location, orientation, and solution transition near a localization are automatically captured by superimposed block-level NN optimizations. This NN enrichment approach allows for effective modeling of localizations via a fixed background discretization, relieving tedious efforts for adaptive refinement in traditional mesh-based methods. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. NN-RKPM is additionally used to inform how crack opening and closure in turn affect the coupled chemical equations and material microstructure. Reference: [1] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, pp 4422-4454, https://doi.org/10.1002/nme.7040, 2022. [2] Baek, J., Chen, J. S., "A Neural Network-Based Enrichment of Reproducing Kernel Approximation for Modeling Brittle Fracture", Computer Methods in Applied Mechanics and Engineering Vol. 410, 116590, 2024.

degradation↗

Resilient Entanglement Distribution in a Multihop Quantum Network

The evolution of quantum networking requires architectures capable of dynamically reconfigurable entanglement distribution to meet diverse user needs and ensure tolerance against transmission disruptions. We introduce multihop quantum networks to improve network reach and resilience by enabling quantum communications across intermediate nodes, thus broadening network connectivity and increasing scalability. We present multihop two-qubit polarization-entanglement distribution within a quantum network at the Oak Ridge National Laboratory campus. Our system uses wavelength-selective switches for adaptive bandwidth management on a software-defined quantum network that integrates a quantum data plane with classical data and control planes, creating a flexible, reconfigurable mesh. Our network distributes entanglement across six nodes within three subnetworks, each located in a separate building, optimizing quantum state fidelity and transmission rate through adaptive resource management. Additionally, we demonstrate the network's resilience by implementing a link recovery approach that monitors and reroutes quantum resources to maintain service continuity despite link failures—paving the way for scalable and reliable quantum networking infrastructures.

Alshowkan, Muneer [Oak Ridge National Laboratory (↗

Separability of Mesh Bias and Parametric Uncertainty for a Full System Thermal Analysis

When making computational simulation predictions of multiphysics engineering systems, sources of uncertainty in the prediction need to be acknowledged and included in the analysis within the current paradigm of striving for simulation credibility. A thermal analysis of an aerospace geometry was performed at Sandia National Laboratories. Here, for this analysis, a verification, validation, and uncertainty quantification (VVUQ) workflow provided structure for the analysis, resulting in the quantification of significant uncertainty sources including spatial numerical error and material property parametric uncertainty. It was hypothesized that the parametric uncertainty and numerical errors were independent and separable for this application. This hypothesis was supported by performing uncertainty quantification (UQ) simulations at multiple mesh resolutions, while being limited by resources to minimize the number of medium and high resolution simulations. In conclusion, based on this supported hypothesis, a prediction including parametric uncertainty and a systematic mesh bias is used to make a margin assessment that avoids unnecessary uncertainty obscuring the results and optimizes use of computing resources.

42 ENGINEERING↗