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DOE OSTI2022

Parallel transport sweeps on two-dimensional cartesian and hexagonal grids

This paper aims to provide a proof of concept for parallel transport sweeps on two-dimensional hexagonal grids for the discrete ordinates transport equation. While the method is an extension of the popular and well-established Koch-Baker-Alcoulffe (KBA) algorithm, there are significant differences between the cartesian and hexagonal grid and thereafter sweep. The most important is the three-way connectivity of hexagons within the grid which creates greater dependencies between the elements. The KBA method in structured orthogonal grids was first implemented in the DRAGON5 code and the method is first described here. The differences in implementation for the hexagonal grid are also described. Benchmark results are also presented, showing roughly 10 times speedup in computational times with roughly 100 processors, in both cases. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

An efficient iterative method for dynamical Ginzburg-Landau equations

Here we propose a new finite element approach to solving the time-dependent Ginzburg-Landau equations for superconductivity under the temporal gauge and design an efficient preconditioner for the Newton iteration of the resulting discrete system. It solves the vector magnetic potential in $H$(curl) space by the lowest order of the second kind N´ed´elec element. This approach offers a simple way to deal with the boundary conditions, leading to a stable and reliable performance for superconductor geomtry with reentrant corners. The bench-marking in numerical simulations verifies the efficiency of the proposed preconditioner, which can be employed to significantly speed up in large-scale computations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2020

Verification of Anisotropic Mesh Adaptation for Turbulent Simulations over ONERA M6 Wing

Unstructured anisotropic mesh adaptation is known to be an efficient way to control discretization errors in Computational Fluid Dynamics (CFD) simulations. Method verification is required to provide the confidence for routine use in production analysis. The current work aims at verification of anisotropic mesh adaptation for RANS simulations over the ONERA M6 wing. The present verification study is performed using four different flow solvers, three different implementations of the metric field, and three mesh mechanics packages. Two of the flow solvers use stabilized finite-element discretizations (FUN3D-SFE and GGNS), one uses finite-volume discretization (FUN3D-FV), and the last one uses mixed finite-volume and finite element discretizations (Wolf). The mesh adaptation is based on an error estimator that aims to control the quadratic error term in the linear interpolation of Mach number. Two sets of adaptations were performed; the first one controls the interpolation error in L2 norm and the second one controls the interpolation error in L4 norm. Convergence studies were performed on the forces and the pitching moment using all four solvers, and the results are compared with previously verified convergence studies on fixed (nonadapted) meshes. Both forces and pitching moment on adapted meshes are found to be converging to the fine mesh values faster than those on fixed meshes. In addition to forces and moments, convergence of surface pressure and skin friction coefficients at various measurement locations on the wing are also presented. Adapted-mesh surface pressure distributions agree with the fine fixed mesh pressure distributions. Adapted-mesh skin friction distributions contain high frequency noise with mean values approaching the fixed mesh pressure skin friction distributions.

Aravind Balan↗

DOE OSTI2020

PRISMS-PF: A general framework for phase-field modeling with a matrix-free finite element method

Abstract A new phase-field modeling framework with an emphasis on performance, flexibility, and ease of use is presented. Foremost among the strategies employed to fulfill these objectives are the use of a matrix-free finite element method and a modular, application-centric code structure. This approach is implemented in the new open-source PRISMS-PF framework. Its performance is enabled by the combination of a matrix-free variant of the finite element method with adaptive mesh refinement, explicit time integration, and multilevel parallelism. Benchmark testing with a particle growth problem shows PRISMS-PF with adaptive mesh refinement and higher-order elements to be up to 12 times faster than a finite difference code employing a second-order-accurate spatial discretization and first-order-accurate explicit time integration. Furthermore, for a two-dimensional solidification benchmark problem, the performance of PRISMS-PF meets or exceeds that of phase-field frameworks that focus on implicit/semi-implicit time stepping, even though the benchmark problem’s small computational size reduces the scalability advantage of explicit time-integration schemes. PRISMS-PF supports an arbitrary number of coupled governing equations. The code structure simplifies the modification of these governing equations by separating their definition from the implementation of the numerical methods used to solve them. As part of its modular design, the framework includes functionality for nucleation and polycrystalline systems available in any application to further broaden the phenomena that can be used to study. The versatility of this approach is demonstrated with examples from several common types of phase-field simulations, including coarsening subsequent to spinodal decomposition, solidification, precipitation, grain growth, and corrosion.

36 MATERIALS SCIENCE↗

NASA NTRS1974

Analysis of three-dimensional unsteady flow around oscillating wings

A method based on the Navier-Stokes equations was developed for determining analytically the three-dimensional unsteady flow patterns around oscillating wings. The Helmholz vorticity transport equations were discretized in three-dimensional finite element form from a variational formulation and integrated numerically. At each time step of the numerical integration the velocity field was calculated from the representation of the three-dimensional wing by a system of optimized distribution of vortices in space. During the numerical integration of the vorticity transport equations the time-dependent boundary conditions on the wing were specified as external constraint conditions. Examples of obtained results describing the three-dimensional unsteady flow around a wing were presented.

Bratanow, T.↗

NASA NTRS2017

Simulating Matrix Crack and Delamination Interaction in a Clamped Tapered Beam

Blind predictions were conducted to validate a discrete crack methodology based on the Floating Node Method to simulate matrix-crack/delamination interaction. The main novel aspects of the approach are: (1) the implementation of the floating node method via an 'extended interface element' to represent delaminations, matrix-cracks and their interaction, (2) application of directional cohesive elements to infer overall delamination direction, and (3) use of delamination direction and stress state at the delamination front to determine migration onset. Overall, good agreement was obtained between simulations and experiments. However, the validation exercise revealed the strong dependence of the simulation of matrix-crack/delamination interaction on the strength data (in this case transverse interlaminar strength, YT) used within the cohesive zone approach applied in this work. This strength value, YT, is itself dependent on the test geometry from which the strength measurement is taken. Thus, choosing an appropriate strength value becomes an ad-hoc step. As a consequence, further work is needed to adequately characterize and assess the accuracy and adequacy of cohesive zone approaches to model small crack growth and crack onset. Additionally, often when simulating damage progression with cohesive zone elements, the strength is lowered while keeping the fracture toughness constant to enable the use of coarser meshes. Results from the present study suggest that this approach is not recommended for any problem involving crack initiation, small crack growth or multiple crack interaction.

De Carvalho, N. V.↗

NASA NTRSDate not supplied

Three Dimensional Surface Redefinition Method for Computational Ice Accretion Solvers

Computational tools have been increasing in maturity and are thus commonly used in the engineering design process. Advancements in NASA’s current state of the art computational ice accretion tool are required to tackle the icing challenges of tomorrow. GlennICE, a next generation ice accretion solver, is under development at NASA to tackle these challenges. One of the elements of this migration is transitioning from a quasi-three dimensional strip theory based ice accretion methodology to a fully three dimensional methodology. This requires construction of a method to redefine or extrude a discretized or tessellated surface geometry based on the predicted volumetric ice growth for each tessellated surface triangle. This paper describes the methodology that is employed in the GlennICE software, and assesses the performance of the method in replicating a well defined analytical test case.

Computational↗

NASA NTRSDate not supplied

Three Dimensional Surface Redefinition Method for Computational Ice Accretion Solvers

Computational↗

NASA NTRS1976

Transonic flow calculations

The development of relaxation methods to calculate transonic flows is discussed. Rather accurate predictions can be made for a number of flows of interest using the transonic potential flow equation, which may be derived from the Euler equations for inviscid compressible flow by introducing the assumption that the flow is irrotational. Once the choice of a mathematical model has been settled, the numerical procedure for actually computing a solution contains two main elements: the construction of a discrete approximation which converges to the solution of the continuous problem in the limit as the mesh width is reduced to zero, and the solution of the resulting set of nonlinear difference equations by a convergent iterative scheme. The choice of an appropriate coordinate system and its influence on the accuracy of the discrete approximation is discussed. Several applications of the general method are described.

Jameson, A.↗

NASA NTRS1991

A new finite element formulation for computational fluid dynamics. IX - Fourier analysis of space-time Galerkin/least-squares algorithms

A Fourier stability and accuracy analysis of the space-time Galerkin/least-squares method as applied to a time-dependent advective-diffusive model problem is presented. Two time discretizations are studied: a constant-in-time approximation and a linear-in-time approximation. Corresponding space-time predictor multi-corrector algorithms are also derived and studied. The behavior of the space-time algorithms is compared to algorithms based on semidiscrete formulations.

Shakib, Farzin↗

DOE OSTI2019

Uncollided-Flux Treatment for Discrete-Ordinate Radiation Transport Solutions in the Rattlesnake Code System

We present the uncollided-flux treatment implemented in the Rattlesnake code system of the Idaho National Laboratory (INL). The ray-tracing method employed is capable of handling various types of finite-element meshes. Uncollided-flux techniques are necessary to capture streaming in low-density regions, such as the ones found in the TREAT test reactor at INL. Numerical results are presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRSDate not supplied

Wall-Modeled Large Eddy Simulation Method for Unstructured-Grid Navier-Stokes Solvers

This paper reports on the implementation and assessment of a Wall-Modeled Large-Eddy Simulation (WMLES) methodology in an unstructured-grid, node-centered flow solver, FUN3D that is developed and supported at the NASA Langley Research Center. Finite-volume (FV) and finite-element (FE) discretization schemes considered in the study provide formal second-order spatial accuracy. Large-Eddy Simulations (LES) resolve large-scale turbulent-flow features and filter out small-scale effects using the Vreman subgrid-scale model. At solid-wall boundaries, a shear-stress model is employed to provide a proper boundary-flux closure. The nonlinear equations are integrated in time using either an optimized backward difference formula or an implicit multistage Runge-Kutta temporal scheme. The implicit equations at each time step are solved by strong nonlinear iteration schemes. WMLES demonstrations are shown for two high-lift configurations, namely, the McDonnell Douglas 30P30N multielement airfoil and a NASA High-Lift Common Research Model. Results show that the WMLES approaches implemented in the FV and FE discretization methods produce consistent solutions and are capable of capturing key aerodynamic characteristics and flow structures for high-lift configurations at a wide range of angles of attack including maximum-lift conditions. In the 30P30N example, correct trends in the variations of integrated aerodynamic forces and moments, surface pressure distributions, and boundary-layer profiles are captured as the Reynolds number is increased.

CFD; turbulence modeling; High-Lift flow simulatio↗

NASA NTRS1988

A proposed method for enhanced eigen-pair extraction using finite element methods: Theory and application

The paper covers two distinct parts: theory and application. The goal of this work was the reduction of model size with an increase in eigenvalue/vector accuracy. This method is ideal for the condensation of large truss- or beam-type structures. The theoretical approach involves the conversion of a continuum transfer matrix beam element into an 'Exact' dynamic stiffness element. This formulation is implemented in a finite element environment. This results in the need to solve a transcendental eigenvalue problem. Once the eigenvalue is determined the eigenvectors can be reconstructed with any desired spatial precision. No discretization limitations are imposed on the reconstruction. The results of such a combined finite element and transfer matrix formulation is a much smaller FEM eigenvalue problem. This formulation has the ability to extract higher eigenvalues as easily and as accurately as lower eigenvalues. Moreover, one can extract many more eigenvalues/vectors from the model than the number of degrees of freedom in the FEM formulation. Typically, the number of eigenvalues accurately extractable via the 'Exact' element method are at least 8 times the number of degrees of freedom. In contrast, the FEM usually extracts one accurate (within 5 percent) eigenvalue for each 3-4 degrees of freedom. The 'Exact' element results in a 20-30 improvement in the number of accurately extractable eigenvalues and eigenvectors.

Jara-Almonte, J.↗

NASA NTRS1991

Integrated force method - Compatibility conditions of structural mechanics for finite element analysis

The equilibrium equations and the compatibility conditions are fundamental to the analyses of structures. However, anyone who undertakes even a cursory generic study of the compatibility conditions can discover, with little effort, that historically this facet of structural mechanics had not been adequately researched by the profession. Now the compatibility conditions (CC's) have been researched and are understood to a great extent. For finite element discretizations, the CC's are banded and can be divided into three distinct categories: (1) the interface CC's, (2) the cluster or field CC's, and (3) the external CC's. The generation of CC's requires the separating of a local region, then writing the deformation displacement relation (ddr) for the region, and finally, the eliminating of the displacements from the ddr. The procedure to generate all three types of CC's is presented and illustrated through examples of finite element models. The uniqueness of the CC's thus generated is shown. The utilization of CC's has resulted in the novel integrated force method (IFM). The solution that is obtained by the IFM converges with a significantly fewer number of elements, compared to the stiffness and the hybrid methods.

Patnaik, Surya N.↗

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↗

DOE OSTI2018

Improved Models for Metallic Nanoparticle Cores from Atomic Pair Distribution Function (PDF) Analysis

X-ray atomic pair distribution functions (PDFs) were collected from a range of canonical metallic nanomaterials, both elemental and alloyed, prepared using different synthesis methods and exhibiting drastically different morphological properties. Widely applied shape-tuned attenuated crystal (AC) fcc models proved inadequate, yielding structured, coherent, and correlated fit residuals. However, equally simple discrete cluster models could account for the largest amplitude features in these difference signals. A hypothesis testing based approach to nanoparticle structure modeling systematically ruled out effects from crystallite size, composition, shape, and surface faceting as primary factors contributing to the AC misfit. On the other hand, decahedrally twinned cluster cores were found to be the origin of the AC structure misfits for a majority of the nanomaterials reported here. It is further motivated that the PDF can readily differentiate between the arrangement of domains in these multiply twinned motifs. Most of the nanomaterials surveyed also fall within the sub-5 nm size regime where traditional electron microscopy cannot easily detect and quantify domain structures, with sampling representative of the average nanocrystal synthesized. Here, the results demonstrate that PDF analysis is a powerful method for understanding internal atomic interfaces in small noble metallic nanomaterials. Such core cluster models, easily built algorithmically, should serve as starting structures for more advanced models able to capture atomic positional disorder, ligand induced or otherwise, near nanocrystal surfaces.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1986

Conforming versus non-conforming boundary elements in three-dimensional elastostatics

A critical comparison of two basic formulations in three-dimensional elastostatics, using conforming and nonconforming boundary elements, is presented. The basic structure of the boundary element method is developed. The peculiarities that both types of boundary elements present in relation to the numerical implementation are discussed. Through selected examples, key issues such as the computational advantages and disadvantages of both formulations, mesh discretization and accuracy questions, and optimal location of the collocation nodes in the case of nonconforming elements are addressed. It is shown that conforming elements are able to produce more accurate results than nonconforming ones, with substantial economy in the final size of the system equations.

Manolis, G. D.↗

NASA NTRS1989

Propagation and scattering of elastic waves in fiber-reinforced plates

The objectives of this program are as follows: modelling of guided waves in fiber-reinforced plates in terms of different modes; and analysis of scattering by transverse cracks using modal representation. A hybrid numerical method combining the finite element representation of a region around the crack with the modal representation in the exterior region will be used in this program. Modes will be obtained using the through-the-thickness discretization of the displacement field.

Bratton, Robert L.↗