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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 811 records · Page 45

Embedded symmetric positive semi-definite machine-learned elements for reduced-order modeling in finite-element simulations with application to threaded fasteners

Here, we present a machine-learning strategy for finite element analysis of solid mechanics wherein we replace complex portions of a computational domain with a data-driven surrogate. In the proposed strategy, we decompose a computational domain into an “outer” coarse-scale domain that we resolve using a finite element method (FEM) and an “inner” fine-scale domain. We then develop a machine-learned (ML) model for the impact of the inner domain on the outer domain. In essence, for solid mechanics, our machine-learned surrogate performs static condensation of the inner domain degrees of freedom. This is achieved by learning the map from displacements on the inner-outer domain interface boundary to forces contributed by the inner domain to the outer domain on the same interface boundary. We consider two such mappings, one that directly maps from displacements to forces without constraints, and one that maps from displacements to forces by virtue of learning a symmetric positive semi-definite (SPSD) stiffness matrix. We demonstrate, in a simplified setting, that learning an SPSD stiffness matrix results in a coarse-scale problem that is well-posed with a unique solution. We present numerical experiments on several exemplars, ranging from finite deformations of a cube to finite deformations with contact of a fastener-bushing geometry. We demonstrate that enforcing an SPSD stiffness matrix drastically improves the robustness and accuracy of FEM–ML coupled simulations, and that the resulting methods can accurately characterize out-of-sample loading configurations with significant speedups over the standard FEM simulations.

97 MATHEMATICS AND COMPUTING↗

Three-dimensional flow model development for thermal mixing and stratification modeling in reactor system transients analyses

Mixing, thermal-stratification, and mass transport phenomena in large pools or enclosures play major roles for the safety of reactor systems. Depending on the fidelity requirement and computational resources, various modeling methods, from the 0-D perfect mixing model to 3-D Computational Fluid Dynamics (CFD) models, are available. Each is associated with its own advantages and shortcomings. It is very desirable to develop an advanced and efficient thermal mixing and stratification modeling capability embedded in a modern system analysis code to improve the accuracy of reactor safety analyses and to reduce modeling uncertainties. An advanced system analysis tool, SAM, is being developed at Argonne National Laboratory for advanced non-LWR reactor safety analysis. While SAM is being developed as a system-level modeling and simulation tool, a reduced-order three-dimensional module is under development to model the mull-dimensional flow and thermal mixing and stratification in large enclosures of reactor systems. This paper provides an overview of the three-dimensional finite element flow model in SAM, including the governing equations, stabilization scheme, and solution methods. Additionally, several verification and validation tests are presented, including lid-driven cavity flow, natural convection inside a cavity, laminar flow in a channel of parallel plates. Here, based on the comparisons with the analytical solutions and experimental results, it is demonstrated that the developed 3-D fluid model can perform very well for a wide range of flow problems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Addendum to SAND2023-09604 Xyce lumped-element transmission line model verification to support Empire-Cable cable SGEMP analyses

This report supplements the Verification of Empire-Cable SAND report by expanding on the use of Xyce to simulate the coupling to a transmission line cable model. While Empire-Cable solves its governing equations on a high-order, finite-element mesh with an an implicit-in-time formulation, Xyce must use a first order graph for the circuit and explicit-in-time approach to be compatible with non-linear electrical device models. Thus, given the different solution methodologies in Xyce as compared to Empire-Cable, the convergence rates are expected to be different but the overall quality of the solution should be the same. The original four canonical problems studied in the Empire-Cable verification report are replicated here running in Xyce using transmission line modeling parameters from the verification report. Overall, agreement between the codes is excellent with Xyce’s convergence rates being limited mostly to first order due to the circuit network approximation of a transmission line being a first order approximation.

42 ENGINEERING↗

Deriving Transmissibility Functions from Finite Elements for Specifications

This work explores deriving transmissibility functions for a missile from a measured location at the base of the fairing to a desired location within the payload. A pressure on the outside of the fairing and the rocket motor’s excitation creates an acceleration at a measured location and a desired location. Typically, the desired location is not measured. In fact, it is typical that the payload may change, but measured acceleration at the base of the fairing is generally similar to previous test flights. Given this knowledge, it is desired to use a finite-element model to create a transmissibility function which relates acceleration from the previous test flight’s measured location at the base of the fairing to acceleration at a location in the new payload. Four methods are explored for deriving this transmissibility, with the goal of finding an appropriate transmissibility when both the pressure and rocket motor excitation are equally present. In conclusion, these methods are assessed using transient results from a simple example problem, and it is found that one of the methods gives good agreement with the transient results for the full range of loads considered.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Multiscale Simulation Framework for Coupled Fluid Flow and Mechanical Deformation

A multiscale linear-solver framework for the pressure equation associated with flow in highly heterogeneous porous formations was developed. The multiscale based approach is cast in a general algebraic form, which facilitates integration of the new scalable linear solver in existing flow simulators. The Algebraic Multiscale Solver (AMS) is employed as a preconditioner within a multi-stage strategy. The formulations investigated include the standard MultiScale Finite-Element (MSFE) andMultiScale Finite-Volume (MSFV) methods. The local-stage solvers include incomplete factorization and the so-called Correction Functions (CF) associated with the MSFV approach. Extensive testing of AMS, as an iterative linear solver, indicate excellent convergence rates and computational scalability. AMS compares favorably with advanced Algebraic MultiGrid (AMG) solvers for highly detailed three-dimensional heterogeneous models. Moreover, AMS is expected to be especially beneficial in solving time-dependent problems of coupled multiphase flow and transport in large-scale subsurface formations.

02 PETROLEUM↗

Stability Considerations Using a Microscopic Stability Model Applied to a 2G Thin Film Coated Superconductor

A numerical, finite element simulation of local temperature fields, critical current and transport current distributions is applied to a 2G thin film coated high-temperature superconductor. The focus is on simulation of quenches originating from transport current locally exceeding critical current density. As in previous reports, a statistical treatment of superconductor parameters (critical temperature, current and magnetic field) is applied for this analysis; it shall take into account uncertainties possibly arising from shortcomings in conductor manufacture or during measurements of their properties. The results of the calculations are used as quasi-boundary (driving) conditions for a subsequent transient microscopic numerical stability analysis. Traditionally, stability analysis usually applies analytic stability functions that incorporate conventional, phonon-related timescales, t and disturbances. The question is whether decay of electron pairs and subsequent relaxation of the excited state to a new dynamic equilibrium carrier concentration, the “electron aspect” of the stability problem, under the same disturbances, proceeds on another timescale, t{sup ′}. Is this timescale identical to the traditional (phonon) timescale, t? If not, how large are the differences? The recently reported microscopic stability model, now applied to a thin film conductor, is consulted to find an answer to these questions. A time limit, t{sub Quench}, can be extracted from the simulations, as the time of immediate onset of a quench. This is a new approach in stability considerations since, conventionally, a temperature limit, T < T{sub Crit}, is set as stability criterion. If electrical operation or cooling conditions cannot immediately respond to this challenge, the thin film superconductor, if this time limit is exceeded, will hardly be able to return to zero loss current transport.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

An Improved Discrete Least-Squares/Reduced-Basis Method for Parameterized Elliptic PDEs

It is shown that the computational efficiency of the discrete least-squares (DLS) approximation of solutions of stochastic elliptic PDEs is improved by incorporating a reduced-basis method into the DLS framework. In particular, we consider stochastic elliptic PDEs with an affine dependence on the random variable. The goal is to recover the entire solution map from the parameter space to the finite element space. To this end, first, a reduced-basis solution using a weak greedy algorithm is constructed, then a DLS approximation is determined by evaluating the reduced-basis approximation instead of the full finite element approximation. The main advantage of the new approach is that one only need apply the DLS operator to the coefficients of the reduced-basis expansion, resulting in huge savings in both the storage of the DLS coefficients and the online cost of evaluating the DLS approximation. In addition, the recently developed quasi-optimal polynomial space is also adopted in the new approach, resulting in superior convergence rates for a wider class of problems than previous analyzed. Numerical experiments are provided that illustrate the theoretical results.

97 MATHEMATICS AND COMPUTING↗

PetIGA: A framework for high-performance isogeometric analysis

We present PetIGA, a code framework to approximate the solution of partial differential equations using isogeometric analysis. PetIGA can be used to assemble matrices and vectors which come from a Galerkin weak form, discretized with Non-Uniform Rational B-spline basis functions. We base our framework on PETSc, a high-performance library for the scalable solution of partial differential equations, which simplifies the development of large-scale scientific codes, provides a rich environment for prototyping, and separates parallelism from algorithm choice. We describe the implementation of PetIGA, and exemplify its use by solving a model nonlinear problem. To illustrate the robustness and flexibility of PetIGA, we solve some challenging nonlinear partial differential equations that include problems in both solid and fluid mechanics. Lastly, we show strong scaling results on up to 4096 cores, which confirm the suitability of PetIGA for large scale simulations.

97 MATHEMATICS AND COMPUTING↗

A numerical-homogenization based phase-field fracture modeling of linear elastic heterogeneous porous media

Most porous media, such as geomaterials and biomaterials are highly heterogeneous in nature, and they contain large variations of microscopic pore structures, such as pore sizes, pore distribution, and pore shapes. The oscillation of microscopic structures is a substantial challenge in theoretical characterization and is usually ignored in continuous modeling. However, mechanical behavior of porous media such as deformation and failure, are essentially impacted by the microscopic heterogeneity which needs to be considered in modeling a porous media. Here, this research proposes a numerical modeling framework with a capability to investigate the effect of microscopic heterogeneity on the macroscopic fracture behavior in porous media by using a numerical homogenization technique, combined with the phase-field fracture modeling method. This numerical modeling strategy computes a homogenized elasticity tensor based on microscopic heterogeneous pore structures heterogenous porous domain by solving boundary value problems at microscopic domain. The strain energy and subsequent propagation of macroscopic fractures will be updated using homogenized stiffness information. Using this numerical scheme, the microscopic pore structure’s impact on the fracture behavior through the homogenized elastic tensor will be taken into account. This multiscale technique is benchmarked against classical problems. Finally, the results highlight the importance of the underlying pore structure and reveal that both fracture strength and propagation path can be influenced by the microscopic heterogeneity.

36 MATERIALS SCIENCE↗

Modeling of surface mechanical behaviors of soft elastic solids: theory and examples

Surfaces of soft solids can have significant surface stress, extensional modulus and bending stiffness. Previous theoretical studies have usually examined cases in which both the surface stress and bending stiffness are constant, assuming small deformation. In this work we consider a general formulation in which the surface can support large deformation and carry both surface stresses and surface bending moments. We show that the large deformation theory can be reduced to the classical linear theory (Shuttleworth equation). We obtain exact solutions for problems of an inflated cylindrical shell and bending of a plate with a finite thickness. Our analysis illustrates the different manners in which surface stiffening and surface bending stabilize these structures. We discuss how the complex surface constitutive behaviors affect the stress field of the bulk. Our calculation provides insights into effects of strain-dependent surface stress and surface bending in the large deformation regime, and can be used as a model to implement surface finite elements to study large deformation of complex structures.

36 MATERIALS SCIENCE↗

Thermochemical Nonequilibrium Modeling in a Continuous-Galerkin, Finite-Element Framework

The presented work discusses the implementation, verification, and validation of Park's two-temperature model in a scalable, computational fluid dynamics (CFD) code developed at the US Department of Energy's Oak Ridge National Laboratory (ORNL). The implementation of Park's two-temperature model was verified through 0D test cases involving an adiabatic reactor and a nitrogen thermal bath. The implementation was then validated through comparisons with other validated CFD codes and experimental data on a hypersonic cylinder and double cones. These are standard benchmark test cases for thermochemical non-equilibrium (TCNE) modeling, and all data are shared publicly. The verification and validation results showed that ORNL's in-house CFD code could model complex, high-speed flow problems with and without TCNE modeling. This work is essential for future research involving 3D shock wave/boundary layer interactions (SBLIs).

Nutter, Nicole↗

Design, analysis and numerical experiments for the virtual element p and hp approximations of elliptic eigenvalue problems

We discuss the p- and the hp-versions of the virtual element method for the approximation of the eigenvalues of elliptic operators with a potential term on polygonal meshes. An application of this model is provided by the Schr¨odinger equation with a pseudo-potential term. We present in details the analysis of the p-version of the method, proving the exponential convergence in the case of analytic eigenfunctions. The theoretical results are supplied with a wide set of experiments. We also show numerically that, in the case of eigenfunctions with finite Sobolev regularity, an exponential approximation of the eigenvalues in terms of the cubic root of the number of degrees of freedom can be obtained by employing hp-refinements. Importantly, the geometric flexibility of polygonal meshes is exploited in the construction of the hp-spaces.

97 MATHEMATICS AND COMPUTING↗

Minimum feature size control in level set topology optimization via density fields

A level set topology optimization approach that uses an auxiliary density field to nucleate holes during the optimization process and achieves minimum feature size control in optimized designs is explored. The level set field determines the solid-void interface and the density field describes the distribution of a fictitious porous material using the solid isotropic material with penalization. These fields are governed by two sets of independent optimization variables which are initially coupled using a penalty for hole nucleation. The strength of the density field penalization and projection is gradually increased during the optimization process to promote a 0-1 density distribution. In addition, a second penalty regulates the evolution of the density field in the void phase. The treatment of the density field combined with the second penalty mitigate the appearance of small design features. The minimum feature size of optimized designs is controlled by the radius of the linear filter applied to the density optimization variables. The structural response is predicted by the extended finite element method, the sensitivities by the adjoint method, and the optimization variables are updated by a gradient-based optimization algorithm. Numerical examples investigate the robustness of this approach with respect to algorithmic parameters and mesh refinement. The results show the applicability of the combined density level set topology optimization approach for both optimal hole nucleation and for minimum feature size control in 2D and 3D. This comes, however, at the cost of a more complex problem formulation and additional computational cost due to an increased number of optimization variables.

42 ENGINEERING↗

The Adjoint Petrov–Galerkin method for non-linear model reduction

Here, we formulate a new projection-based reduced-order modeling technique for non-linear dynamical systems. The proposed technique, which we refer to as the Adjoint Petrov–Galerkin (APG) method, is derived by decomposing the generalized coordinates of a dynamical system into a resolved coarse-scale set and an unresolved fine-scale set. A Markovian finite memory assumption within the Mori–Zwanzig formalism is then used to develop a reduced-order representation of the coarse scales. This procedure leads to a closed reduced-order model that displays commonalities with the adjoint stabilization method used in finite elements. The formulation is shown to be equivalent to a Petrov–Galerkin method with a non-linear, time-varying test basis, thus sharing some similarities with the Least-Squares Petrov–Galerkin method. Theoretical analysis examining a priori error bounds and computational cost is presented. Numerical experiments on the compressible Navier–Stokes equations demonstrate that the proposed method can lead to improvements in numerical accuracy, robustness, and computational efficiency over the Galerkin method on problems of practical interest. Improvements in numerical accuracy and computational efficiency over the Least-Squares Petrov–Galerkin method are observed in most cases.

42 ENGINEERING↗

Multidimensional Fuel Performance Code: BISON

BISON is a finite element based nuclear fuel performance code applicable to a variety of fuel forms including light water reactor fuel rods, TRISO fuel particles, and metallic rod and plate fuel (Refs. [a, b, c]). It solves the fully-coupled equations of thermo-mechanics and species diffusion and includes important fuel physics such as fission gas release and material property degradation with burnup. BISON is based on the MOOSE framework (Ref. [d]) and can therefore efficiently solve problems on 1-, 2- or 3-D meshes using standard workstations or large high performance computers. BISON is also coupled to a MOOSE-based mesoscale phase field material property simulation capability (Refs. [e, f]). As described here, BISON includes the code library named FOX, which was developed concurrent with BISON. FOX contains material and behavioral models that are specific to oxide fuels.

Hales, Jason↗

ExaAM: Metal additive manufacturing simulation at the fidelity of the microstructure

Additive manufacturing (AM), or 3D printing, of metals is transforming the fabrication of components, in part by dramatically expanding the design space, allowing optimization of shape and topology. However, although the physical processes involved in AM are similar to those of welding, a field with decades of experimental, modeling, simulation, and characterization experience, qualification of AM parts remains a challenge. The availability of exascale computational systems, particularly when combined with data-driven approaches such as machine learning, enables topology and shape optimization as well as accelerated qualification by providing process-aware, locally accurate microstructure and mechanical property models. We describe the physics components comprising the Exascale Additive Manufacturing simulation environment and report progress using highly resolved melt pool simulations to inform part-scale finite element thermomechanics simulations, drive microstructure evolution, and determine constitutive mechanical property relationships based on those microstructures using polycrystal plasticity. We report on implementation of these components for exascale computing architectures, as well as the multi-stage simulation workflow that provides a unique high-fidelity model of process–structure–property relationships for AM parts. In addition, we discuss verification and validation through collaboration with efforts such as AM-Bench, a set of benchmark test problems under development by a team led by the National Institute of Standards and Technology.

3D printing↗

SAM User's Guide

The System Analysis Module (SAM) is a modern system analysis tool being developed at Argonne National Laboratory for advanced non-LWR safety analysis. It aims to provide fast-running, whole-plant transient analyses capability with improved-fidelity for Sodium-cooled Fast Reactors (SFR), Lead-cooled Fast Reactors (LFR), and Molten Salt Reactors (MSR) or Fluoride-cooled High-temperature Reactors (FHR). SAM takes advantage of advances in physical modeling, numerical methods, and software engineering to enhance its user experience and usability. It utilizes an object-oriented application framework (MOOSE), and its underlying meshing and finite-element library (libMesh) and linear and non-linear solvers (PETSc), to leverage the modern advanced software environments and numerical methods. This document provides a user’s guide, which will help users understand the input description and core capabilities of the SAM code. A brief overview of the code is presented, as well as how to obtain and run it. The input syntax for various parts of the code is provided. Additionally, a number of example problems, starting with simple unit component problems to problems with increasing complexity, are provided. Because the code is still under active development, this SAM User’s Guide will evolve with periodic updates.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

SAM User’s Guide

The System Analysis Module (SAM) is a modern system analysis tool being developed at Argonne National Laboratory for advanced non-LWR safety analysis. It aims to provide fast-running, whole-plant transient analyses capability with improved-fidelity for Sodium-cooled Fast Reactors (SFR), Lead-cooled Fast Reactors (LFR), and Molten Salt Reactors (MSR) or Fluoride-cooled High-temperature Reactors (FHR). SAM takes advantage of advances in physical modeling, numerical methods, and software engineering to enhance its user experience and usability. It utilizes an object-oriented application framework (MOOSE), and its underlying meshing and finite-element library (libMesh) and linear and non-linear solvers (PETSc), to leverage the modern advanced software environments and numerical methods. This document provides a user’s guide, which will help users understand the input description and core capabilities of the SAM code. A brief overview of the code is presented, as well as how to obtain and run it. The input syntax for various parts of the code is provided. Additionally, a number of example problems, starting with simple unit component problems to problems with increasing complexity, are provided. Because the code is still under active development, this SAM User’s Guide will evolve with periodic updates.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗