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At least 55 records · Page 3

Peridynamic Multiscale Finite Element Methods

The problem of computing quantum-accurate design-scale solutions to mechanics problems is rich with applications and serves as the background to modern multiscale science research. The prob- lem can be broken into component problems comprised of communicating across adjacent scales, which when strung together create a pipeline for information to travel from quantum scales to design scales. Traditionally, this involves connections between a) quantum electronic structure calculations and molecular dynamics and between b) molecular dynamics and local partial differ- ential equation models at the design scale. The second step, b), is particularly challenging since the appropriate scales of molecular dynamic and local partial differential equation models do not overlap. The peridynamic model for continuum mechanics provides an advantage in this endeavor, as the basic equations of peridynamics are valid at a wide range of scales limiting from the classical partial differential equation models valid at the design scale to the scale of molecular dynamics. In this work we focus on the development of multiscale finite element methods for the peridynamic model, in an effort to create a mathematically consistent channel for microscale information to travel from the upper limits of the molecular dynamics scale to the design scale. In particular, we first develop a Nonlocal Multiscale Finite Element Method which solves the peridynamic model at multiple scales to include microscale information at the coarse-scale. We then consider a method that solves a fine-scale peridynamic model to build element-support basis functions for a coarse- scale local partial differential equation model, called the Mixed Locality Multiscale Finite Element Method. Given decades of research and development into finite element codes for the local partial differential equation models of continuum mechanics there is a strong desire to couple local and nonlocal models to leverage the speed and state of the art of local models with the flexibility and accuracy of the nonlocal peridynamic model. In the mixed locality method this coupling occurs across scales, so that the nonlocal model can be used to communicate material heterogeneity at scales inappropriate to local partial differential equation models. Additionally, the computational burden of the weak form of the peridynamic model is reduced dramatically by only requiring that the model be solved on local patches of the simulation domain which may be computed in parallel, taking advantage of the heterogeneous nature of next generation computing platforms. Addition- ally, we present a novel Galerkin framework, the 'Ambulant Galerkin Method', which represents a first step towards a unified mathematical analysis of local and nonlocal multiscale finite element methods, and whose future extension will allow the analysis of multiscale finite element methods that mix models across scales under certain assumptions of the consistency of those models.

42 ENGINEERING↗

Auxiliary Space Preconditioning of Finite Element Equations Using a Nonconforming Interior Penalty Reformulation and Static Condensation

We modify the well-known interior penalty finite element discretization method so that it allows for element-by-element assembly. This is possible due to the introduction of additional unknowns associated with the interfaces between neighboring elements. The resulting bilinear form, and a Schur complement (reduced) version of it, are utilized in a number of auxiliary space preconditioners for the original conforming finite element discretization problem. Furthermore, these preconditioners are analyzed on the fine scale, and their performance is illustrated on model second order scalar elliptic problems discretized with high order elements.

97 MATHEMATICS AND COMPUTING↗

Inverse Subspace Iteration for Spectral Stochastic Finite Element Methods

We study random eigenvalue problems in the context of spectral stochastic finite elements. In particular, given a parameter-dependent, symmetric positive-definite matrix operator, we explore the performance of algorithms for computing its eigenvalues and eigenvectors represented using polynomial chaos expansions. We formulate a version of stochastic inverse subspace iteration, which is based on the stochastic Galerkin finite element method, and we compare its accuracy with that of Monte Carlo and stochastic collocation methods. The coefficients of the eigenvalue expansions are computed from a stochastic Rayleigh quotient. Our approach allows the computation of interior eigenvalues by deflation methods, and we can also compute the coefficients of multiple eigenvectors using a stochastic variant of the modified Gram-Schmidt process. The effectiveness of the methods is illustrated by numerical experiments on benchmark problems arising from vibration analysis.

97 MATHEMATICS AND COMPUTING↗

A robust interface finite element formulation for modeling brittle material failure problems

Abstract Failure of many brittle materials and structures can be modeled using interface‐oriented finite elements combined with intrinsic cohesive zone models. The discontinuous Galerkin (DG) finite element method provides an innovative framework for modeling brittle crack propagation with zero‐thickness interface elements, which can accommodate extrinsic cohesive laws to avoid the artificial compliance required in intrinsic cohesive models. However, robust formulations and implementations of DG methods are critical in alleviating the well‐known convergence issues for both crack nucleation and propagation with reduced instability. This paper presents a robust interface element formulation by modifying the incomplete interior penalty Galerkin (IIPG) method, which successfully avoids the initial element interface penetration across elements that occurs prior to crack nucleation, and thereby greatly reduces the instability issue as cracks open. We further verified and validated our implementation by using a bar tension test and a beam fracturing benchmark. The robustness of our proposed interface element method was demonstrated by a micromechanics fiber/matrix debonding problem with 64 fibers embedded in a bulk matrix.

Liu, Ruijie↗

An implementation of the phase-field model based on coupled thermomechanical finite element solvers for large-strain twinning, explicit dynamic fracture and the classical Stefan problem

The implementation of a phase-field model in finite elements usually requires significant expertise and involves the development of a user element with additional degrees of freedom. An alternative implementation of the phase-field model within a thermo-mechanical finite element simulation package was presented in (Cho et al 2012 Int. J. Solids Struct. 49 1973–1992), where the phase-field variable is treated as the temperature degree of freedom. However, this approach has only been used for small strain phase-field modelling of martensitic transformations and quasistatic phase-field modelling of fracture. Here, we present a phase-field finite element implementation via the temperature degree of freedom for several additional cases from the literature: (i) the large-strain phase-field description of deformation twinning presented in (Clayton and Knap 2011 Physica D 240 841–858), (ii) phase-field description of brittle fracture with inertial effects based on the theory from (Molnár and Gravouil 2017, Finite Elem. Anal. Des. 130 27–38) and (Miehe et al 2010 Int. J. Numer. Methods Eng. 83 1273–1311) and (iii) the classical Stefan problem of solidification presented in (Mackenzie and Robertson 2002 J. Comput. Phys. 181 526–544). The last problem involves the temperature and phase-field variables as unknowns.

36 MATERIALS SCIENCE↗

Low-Order Preconditioning for the High-Order Finite Element de Rham Complex

Here, we present a unified framework for constructing spectrally equivalent low-order-refined discretizations for the high-order finite element de Rham complex. This theory covers diffusion problems in H 1 , H(curl), and H(div) and is based on combining a low-order discretization posed on a refined mesh with a high-order basis for Nédélec and Raviart–Thomas elements that makes use of the concept of polynomial histopolation (polynomial fitting using prescribed mean values over certain regions). This spectral equivalence, coupled with algebraic multigrid methods constructed using the low-order discretization, results in highly scalable matrix-free preconditioners for high-order finite element problems in the full de Rham complex. Additionally, a new lowest-order (piecewise constant) preconditioner is developed for high-order interior penalty discontinuous Galerkin (DG) discretizations, for which spectral equivalence results and convergence proofs for algebraic multigrid methods are provided. In all cases, the spectral equivalence results are independent of polynomial degree and mesh size; for DG methods, they are also independent of the penalty parameter. These new solvers are flexible and easy to use; any “black-box” preconditioner for low-order problems can be used to create an effective and efficient preconditioner for the corresponding high-order problem. A number of numerical experiments are presented, based on an implementation in the finite element library MFEM. A range of challenging three-dimensional problems are used to corroborate the theoretical properties and demonstrate the flexibility and scalability of the method.

97 MATHEMATICS AND COMPUTING↗

An MPI + $X$ implementation of contact global search using Kokkos

This paper describes an approach that seeks to parallelize the spatial search associated with computational contact mechanics. In contact mechanics, the purpose of the spatial search is to find “nearest neighbors,” which is the prelude to an imprinting search that resolves the interactions between the external surfaces of contacting bodies. In particular, we are interested in the contact global search portion of the spatial search associated with this operation on domain-decomposition-based meshes. Specifically, we describe an implementation that combines standard domain-decomposition-based MPI-parallel spatial search with thread-level parallelism (MPI-X) available on advanced computer architectures (those with GPU coprocessors). Our goal is to demonstrate the efficacy of the MPI-X paradigm in the overall contact search. Standard MPI-parallel implementations typically use a domain decomposition of the external surfaces of bodies within the domain in an attempt to efficiently distribute computational work. This decomposition may or may not be the same as the volume decomposition associated with the host physics. The parallel contact global search phase is then employed to find and distribute surface entities (nodes and faces) that are needed to compute contact constraints between entities owned by different MPI ranks without further inter-rank communication. Key steps of the contact global search include computing bounding boxes, building surface entity (node and face) search trees and finding and distributing entities required to complete on-rank (local) spatial searches. To enable source-code portability and performance across a variety of different computer architectures, we implemented the algorithm using the Kokkos hardware abstraction library. While we targeted development towards machines with a GPU accelerator per MPI rank, we also report performance results for OpenMP with a conventional multi-core compute node per rank. Results here demonstrate a 47 % decrease in the time spent within the global search algorithm, comparing the reference ACME algorithm with the GPU implementation, on an 18M face problem using four MPI ranks. As a result, while further work remains to maximize performance on the GPU, this result illustrates the potential of the proposed implementation.

97 MATHEMATICS AND COMPUTING↗

Calculation of reinforced-concrete frame strength under a simultaneous static cross section load and a column lateral impact

When designing buildings with reinforced concrete that are planned to resist dynamic loads it is necessary to calculate this structural behavior under operational static and emergency impact and blast loads. Calculations of the structures under shock-wave loads can be performed by solving dynamic equations that do not consider static loads. Due to this fact the calculation of reinforced concrete frame under a simultaneous static and dynamic load in full 3d settings becomes a very non trivial and resource consuming problem. This problem can be split into two tasks. The first one is a shock-wave problem that can be solved using software package RANET-3, which allows solving the problem using finite elements method adapted for dynamic task. This method calculates strain-stress state of the material and its dynamic destruction, which is considered as growth and consolidation of micro defects under loading. On the second step the results of the first step are taken as input parameters for quasi static calculation of simultaneous static and dynamic load using finite elements method in AMP Civil Engineering-11.

36 MATERIALS SCIENCE↗

A virtual element generalization on polygonal meshes of the Scott-Vogelius finite element method for the 2-D Stokes problem

The Virtual Element Method (VEM) is a Galerkin approximation method that extends the Finite Element Method (FEM) to polytopal meshes. In this paper, we present a conforming formulation that generalizes the Scott-Vogelius finite element method for the numerical approximation of the Stokes problem to polygonal meshes in the framework of the virtual element method. In particular, we consider a straightforward application of the virtual element approximation space for scalar elliptic problems to the vector case and approximate the pressure variable through discontinuous polynomials. We assess the effectiveness of the numerical approximation by investigating the convergence on a manufactured solution problem and a set of representative polygonal meshes. Finally, we numerically show that this formulation is convergent with optimal convergence rates except for the lowest-order case on triangular meshes, where the method coincides with the $\mathbb{P}_1$ – $\mathbb{P}_0$ Scott-Vogelius scheme, and on square meshes, which are situations that are well-known to be unstable.

97 MATHEMATICS AND COMPUTING↗

A virtual element generalization on polygonal meshes of the Scott-Vogelius finite element method for the 2-D Stokes problem

The virtual element method (VEM) is a Galerkin approximation method that extends the finite element method to polytopal meshes. In this paper, we present a conforming formulation that generalizes the Scott-Vogelius finite element method (FEM) for the numerical approximation of the Stokes problem to polygonal meshes in the framework of the virtual element method. In particular, we consider a straightforward application of the virtual element approximation space for scalar elliptic problems to the vector case and approximate the pressure variable through discontinuous polynomials. We assess the effectiveness of the numerical approximation by investigating the convergence on a manufactured solution problem and a set of representative polygonal meshes. We numerically show that this formulation is convergent with optimal convergence rates except for the lowest-order case on triangular and square meshes where the method coincides with the P 1 - P 0 Scott-Vogelius scheme, which is well-known to be unstable.

97 MATHEMATICS AND COMPUTING↗

GOMA 6.0 - A Full-Newton Finite Element Program for Free and Moving Boundary Problems with Coupled Fluid/ Solid Momentum, Energy, Mass, and Chemical Species Transport: User’s Guide

Goma 6.0 is a finite element program which excels in analyses of multiphysical processes, particularly those involving the major branches of mechanics (viz. fluid/solid mechanics, energy transport and chemical species transport). Goma is based on a full-Newton-coupled algorithm which allows for simultaneous solution of the governing principles, making the code ideally suited for problems involving closely coupled bulk mechanics and interfacial phenomena. Example applications include, but are not limited to, coating and polymer processing flows, super-alloy processing, welding/soldering, electrochemical processes, and solid-network or solution film drying. This document serves as a user's guide and reference.

Schunk, Peter Randall↗

The Mimetic Finite Element Method and the Virtual Element Method for elliptic problems with arbitrary regularity

We develop and analyze a new family of virtual element methods on unstructured polygonal meshes for the diffusion problem in primal form, that use arbitrarily regular discrete spaces V h $\subset$ C α } ϵ $\mathbb{N}$. The degrees of freedom are (a) solution and derivative values of various degree at suitable nodes and (b) solution moments inside polygons. The convergence of the method is proven theoretically and an optimal error estimate is derived. The connection with the Mimetic Finite Difference method is also discussed. Numerical experiments confirm the convergence rate that is expected from the theory.

97 MATHEMATICS AND COMPUTING↗

Solution of 3D inverse scattering problems by combined inverse equivalent current and finite element methods

An approach combining boundary integral and finite element methods is introduced for the solution of three-dimensional inverse electromagnetic medium scattering problems. Based on the equivalence principle, unknown equivalent electric and magnetic surface current densities on a closed surface are utilized to decompose the inverse medium problem into two parts: a linear radiation problem and a nonlinear cavity problem. The first problem is formulated by a boundary integral equation, the computational burden of which is reduced by employing the multilevel fast multipole method (MLFMM). Reconstructed Cauchy data on the surface allows the utilization of the Lorentz reciprocity and the Poynting's theorems. Exploiting these theorems, the noise level and an initial guess are estimated for the cavity problem. Moreover, it is possible to determine whether the material is lossy or not. In the second problem, the estimated surface currents form inhomogeneous boundary conditions of the cavity problem. The cavity problem is formulated by the finite element technique and solved iteratively by the Gauss–Newton method to reconstruct the properties of the object. Regularization for both the first and the second problems is achieved by a Krylov subspace method. The proposed method is tested against both synthetic and experimental data and promising reconstruction results are obtained.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Interface Problem Formulation Improvements with Application to Nuclear Fuel Performance Analysis

The U.S. Department of Energy’s Nuclear Energy Advanced Modeling and Simulation Program aims to develop predictive capabilities by applying computational methods to the analysis and design of advanced reactor and fuel cycle systems. This program has been providing engineering scale support for the development of BISON, a high-fidelity and high-resolution fuel performance tool. This report documents new developments and robustness improvements in mechanical and thermal (gap heat transfer) contact formulations. The improvements range from the migration of industrial level (“assessment”) nuclear fuel model setups to the usage of mortar formulations, the addition of frictional contact to one-dimensional layered representations of fuel and cladding components, and the addition of the Petrov-Galerkin approach to dual mortar, which improves performance on curved, relatively coarse meshes. In addition, the Lagrange-multiplier enforcement of mechanical mortar contact constraints has been extended to two additional types of enforcement: penalty and augmented Lagrange-Uzawa. We show that the latter approach yields the same interface results as dual mortar in the Multiphysics Object-Oriented Simulation Environment, with the advantage of not worsening the condition number of the system matrix—thereby enabling the use of some general implementations of iterative preconditioners, at the expense of additional system evaluations (i.e., augmentations).

42 ENGINEERING↗

Electromagnetic Extended Finite Elements for High-Fidelity Multimaterial Problems LDRD Final Report

Surface effects are critical to the accurate simulation of electromagnetics (EM) as current tends to concentrate near material surfaces. Sandia EM applications, which include exploding bridge wires for detonator design, electromagnetic launch of flyer plates for material testing and gun design, lightning blast-through for weapon safety, electromagnetic armor, and magnetic flux compression generators, all require accurate resolution of surface effects. These applications operate in a large deformation regime, where body-fitted meshes are impractical and multimaterial elements are the only feasible option. State-of-the-art methods use various mixture models to approximate the multi-physics of these elements. The empirical nature of these models can significantly compromise the accuracy of the simulation in this very important surface region. We propose to substantially improve the predictive capability of electromagnetic simulations by removing the need for empirical mixture models at material surfaces. We do this by developing an eXtended Finite Element Method (XFEM) and an associated Conformal Decomposition Finite Element Method (CDFEM) which satisfy the physically required compatibility conditions at material interfaces. We demonstrate the effectiveness of these methods for diffusion and diffusion-like problems on node, edge and face elements in 2D and 3D. We also present preliminary work on h -hierarchical elements and remap algorithms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗