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At least 847 records · Page 47

A combined three-dimensional finite element and scattering matrix method for the analysis of plane wave diffraction by bi-periodic, multilayered structures

A three-dimensional finite element method (FEM) for the analysis of plane wave diffraction by a bi-periodic slab is described and implemented. A scattering matrix formalism based on the FEM allows the efficient treatment of light reflection and transmission by multilayer bi-periodic structures, and the computation of Bloch modes of three-dimensional arrays. Numerical simulations, which show the accuracy and flexibility of the FEM, are presented.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The strip method for shape derivatives

Abstract A major challenge in shape optimization is the coupling of finite element method (FEM) codes in a way that facilitates efficient computation of shape derivatives. This is particularly difficult with multiphysics problems involving legacy codes, where the costs of implementing and maintaining shape derivative capabilities are prohibitive. The volume and boundary methods are two approaches to computing shape derivatives. Each has a major drawback: the boundary method is less accurate, while the volume method is more invasive to the FEM code. We introduce the strip method , which computes shape derivatives on a strip adjacent to the boundary. The strip method makes code coupling simple. Like the boundary method, it queries the state and adjoint solutions at quadrature nodes, but requires no knowledge of the FEM code implementations. At the same time, it exhibits the higher accuracy of the volume method. As an added benefit, its computational complexity is comparable to that of the boundary method, that is, it is faster than the volume method. We illustrate the benefits of the strip method with numerical examples.

Hardesty, Sean↗

A family of independent Variable Eddington Factor methods with efficient preconditioned iterative solvers

We present a family of discretizations for the Variable Eddington Factor (VEF) equations that have high-order accuracy on curved meshes and efficient preconditioned iterative solvers. The VEF discretizations are combined with the Discontinuous Galerkin transport discretization from to form effective high-order, linear transport methods. The VEF discretizations are derived by extending the unified analysis of Discontinuous Galerkin methods for elliptic problems presented by Arnold et al. to the VEF equations. This framework is used to define analogs of the interior penalty, second method of Bassi and Rebay, minimal dissipation local Discontinuous Galerkin, and continuous finite element methods. The analysis of subspace correction preconditioners, which use a continuous operator to iteratively precondition the discontinuous discretization, is extended to the case of the non-symmetric VEF system. Numerical results demonstrate that the VEF discretizations have arbitrary-order accuracy on curved meshes, preserve the thick diffusion limit, and are effective on a proxy problem from thermal radiative transfer in both outer transport iterations and inner preconditioned linear solver iterations. We demonstrate that the VEF solution converges to the S N transport solution as the mesh is refined on both problems with smooth and non-smooth behavior in angle. Parallel performance studies show that the interior penalty VEF discretization's linear solve weak scales out to 1024 processors and strong scales well on a single node. Particular attention is paid to the parallel performance of the VEF algorithm when used in combination with a parallel block Jacobi transport sweep.

97 MATHEMATICS AND COMPUTING↗

Metal nano-grids for transparent conduction in solar cells

A general procedure for predicting metal grid performance in solar cells was developed. Unlike transparent conducting oxides (TCOs) or other homogeneous films, metal grids induce more resistance in the neighbor layer. The resulting balance of transmittance, neighbor and grid resistance was explored in light of cheap lithography advances that have enabled metal nano-grid (MNG) fabrication. The patterned MNGs have junction resistances and degradation rates that are more favorable than solution-synthesized metal nanowires. Neighbor series resistance was simulated by the finite element method, although a simpler analytical model was sufficient in most cases. Finite-difference frequency-domain transmittance simulations were performed for MNGs with minimum wire width (w) of 50 nm, but deviations from aperture transmittance were small in magnitude. Depending on the process, MNGs can exhibit increased series resistance as w is decreased. However, numerous experimental reports have already achieved transmittance-MNG sheet resistance trade-offs comparable to TCOs. The transmittance, neighbor and MNG series resistances were used to parameterize a grid fill factor for a solar cell. In conclusion, this new figure of merit was used to demonstrate that although MNGs have only been employed in low efficiency solar cells, substantial gains in performance are predicted for decreased w in all high efficiency absorber technologies.

14 SOLAR ENERGY↗

A massively parallel and memory-efficient FEM toolbox with a hybrid total FETI solver with accelerator support

In this article, we present the ExaScale PaRallel finite element tearing and interconnecting SOlver (ESPRESO) finite element method (FEM) library, which includes an FEM toolbox with interfaces to professional and open-source simulation tools, and a massively parallel hybrid total finite element tearing and interconnecting (HTFETI) solver which can fully utilize the Oak Ridge Leadership Computing Facility Titan supercomputer and achieve superlinear scaling. This article presents several new techniques for finite element tearing and interconnecting (FETI) solvers designed for efficient utilization of supercomputers with a focus on (i) performance—we present a fivefold reduction of solver runtime for the Laplace equation by redesigning the FETI solver and offloading the key workload to the accelerator. We compare Intel Xeon Phi 7120p and Tesla K80 and P100 accelerators to Intel Xeon E5-2680v3 and Xeon Phi 7210 central processing units; and (ii) memory efficiency—we present two techniques which increase the efficiency of the HTFETI solver 1.8 times and push the limits of the largest possible problem ESPRESO that can solve from 124 to 223 billion unknowns for problems with unstructured meshes. Finally, we show that by dynamically tuning hardware parameters, we can reduce energy consumption by up to 33%.

Computer Science↗

Using Directional Diffusion Coefficients for Nonlinear Diffusion Acceleration of the First Order SN Equations in Near-Void Regions

The common definition of the diffusion coeffcient as the inverse of three times the transport cross section is not compat- ible with voids. Morel introduced a non-local tensor diffusion coeffcient that remains finite in voids[1]. It can be obtained by solving an auxiliary transport problem without scattering or fission. Larsen and Trahan successfully applied this diffusion coeffcient for enhancing the accuracy of diffusion solutions of very high temperature reactor (VHTR) problems that feature large, optically thin channels in the z-direction [2]. It is demonstrated that a significant reduction of error can be achieved in particular in the optically thin region. Along the same line of thought, non-local diffusion tensors are applied modeling the TREAT reactor confirming the findings of Larsen and Trahan [3]. Previous work of the authors have introduced a flexible Nonlinear-Diffusion Acceleration (NDA) method for the first order S N equations discretized with the discontinuous finite element method (DFEM), [4], [5], [6]. This NDA method uses a scalar diffusion coeffcient in the low-order system that is obtained as the flux weighted average of the inverse transport cross section. Hence, it su?ers from very large and potentially unbounded diffusion coeffcients in the low order problem. However, it was noted that the choice of the diffusion coeffcient does not influence consistency of the method at convergence and hence the di?usion coeffcient is essentially a free parameter. The choice of the di?usion coeffcient does, however, affect the convergence behavior of the nonlinear di?usion iterations. Within this work we use Morel’s non-local di?usion coef- ficient in the aforementioned NDA formulation in lieu of the flux weighted inverse of three times the transport cross section. The goal of this paper is to demonstrate that significant en- hancement of the spectral properties of NDA can be achieved in near void regions. For testing the spectral properties of the NDA with non-local diffusion coeffcients, the periodical horizontal interface problem is used [7]. This problem consists of alternating stripes of optically thin and thick materials both of which feature scattering ratios close to unity.

97 MATHEMATICS AND COMPUTING↗

Full Core Reactor Analysis: Running Denovo on Jaguar

Fully-consistent, full-core, 3D, deterministic simulations using the orthogonal mesh code Denovo were run on the massively parallel computing architecture Jaguar XT5. Using energy and spatial parallelization schemes, Denovo was able to efficiently scale to over 160k processors. Cell-homogenized cross-sections were used with Step-Characteristics, Linear-Discontinuous Finite Element, and Tri-Linear-Discontinuous Finite Element spatial methods. It was determined that using the finite element methods gave considerably more accurate eigenvalue solutions for large aspect ratios meshes than those using Step-Characteristics.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Neutron transport methods for multiphysics heterogeneous reactor core simulation in Griffin

Griffin is a reactor physics application based on the Multiphysics Object-Oriented Simulation Environment (MOOSE). This work discloses the methods, algorithms, and implementation for simulating heterogeneous reactor dynamics models. Griffin utilizes a discontinuous finite-element method with discrete ordinates (DFEM-S ) to discretize the field variable of the multigroup neutron transport equation. Multiphysics feedback is handled using two-step tabulated cross-section methodology. Feedback quantities are evaluated using the MOOSE-MultiApp system to couple various engineering phenomena, such as heat conduction and thermal fluids. The multiphysics DFEM-S system is solved using fixed-point iteration with a fully asynchronous parallel sweeper, unstructured coarse-mesh finite difference acceleration, and a multi-timescale improved quasi-static method scheme. The implementation is applied to a multiphysics microreactor model, with two transients: one initiated by a single heat-pipe failure and another by control drum rotation. Importantly, these examples demonstrate the ability of Griffin to tractably solve the neutron transport equation considering seven independent variables and feedback.

97 MATHEMATICS AND COMPUTING↗

Full core reactor analysis: Running Denovo on Jaguar

Fully-consistent, full-core, 3D, deterministic neutron transport simulations using the orthogonal mesh code Denovo were run on the massively parallel computing architecture Jaguar XT5. Using energy and spatial parallelization schemes, Denovo was able to efficiently scale to more than 160 k processors. Cell-homogenized cross sections were used with step-characteristics, linear-discontinuous finite element, and trilinear-discontinuous finite element spatial methods. It was determined that using the finite element methods gave considerably more accurate eigenvalue solutions for large-aspect ratio meshes than using step-characteristics. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Simulation of Heterogeneous Atom Probe Tip Shape Evolution during Field Evaporation Using a Level Set Method and Different Evaporation Models

Accurate reconstruction of spatial positions of field evaporated ions from detector patterns depends on a correct understanding of the tip shape evolution and evaporation laws of component atoms. Reconstruction artifacts introduced in the heterogeneous tip can be contributed by the assumption on homogeneous evaporation behavior. A level set method based specimen shape evolution model is developed in this study to simulate the evaporation of synthetic layered-structured atom probe tip. The simulation results of the shape evolution by the present level set model agree well with the literature data using other numerical approaches, i.e. finite difference method. The asymmetric evolving shape predicted by the level set model demonstrates that the complex evaporation behavior of heterogeneous tips and interface curvature can potentially lead to the tip reconstruction distortion. Compared with other shape evaporation methods the new method provides considerably higher resolution and computational efficiency with the aid of the intrinsic subgrid scale accuracy.

atom probe tomography, field evaporation, tip shap↗

Comparison of Spatial Discretization Methods for Solving the S N Equations Using a Three-Dimensional Method of Manufactured Solutions Benchmark Suite with Escalating Order of Nonsmoothness

For this study, a comparison of the accuracy and computational efficiency of spatial discretization methods of the three-dimensional S N equations is conducted, including discontinuous Galerkin finite element methods, the arbitrarily high-order transport method of nodal type (AHOTN), the linear-linear method, the linear-nodal (LN) method, and the higher-order diamond difference method. For this purpose, we have developed a suite of method of manufactured solutions benchmarks that provides an exact solution of the S N equations even in the presence of scattering. Most importantly, our benchmark suite permits the user to set an arbitrary level of smoothness of the exact solution across the singular characteristics. Our study focuses on the computational efficiency of the considered spatial discretization methods. Numerical results indicate that the best-performing method depends on the norm used to measure the discretization error. We employ discrete Lp norms and integral error norms in this work. For configurations with continuous exact angular flux, high-order AHOTNs perform best under L p error norms, while the LN method performs best when measured by integral error norms. Lastly, when the angular flux is discontinuous, a new singular-characteristic tracking method for three-dimensional geometries performs best among the considered methods.

97 MATHEMATICS AND COMPUTING↗

A hybridizable discontinuous Galerkin method for modeling fluid–structure interaction

This study presents a novel application of the hybridizable discontinuous Galerkin (HDG) finite element method to the multi-physics simulation of coupled fluid–structure interaction (FSI) problems. Recent applications of the HDG method have primarily been for single-physics problems including both solids and fluids, which are necessary building blocks for FSI modeling. Utilizing these established models, HDG formulations for linear elastostatics, a nonlinear elastodynamic model, and arbitrary Lagrangian–Eulerian Navier–Stokes are derived. The elasticity formulations are written in a Lagrangian reference frame, with the nonlinear formulation restricted to hyperelastic materials. With these individual solid and fluid formulations, the remaining challenge in FSI modeling is coupling together their disparate mathematics on the fluid–solid interface. This coupling is presented, along with the resultant HDG FSI formulation. Verification of the component models, through the method of manufactured solutions, is performed and each model is shown to converge at the expected rate. The individual components, along with the complete FSI model, are then compared to the benchmark problems proposed by Turek and Hron [1]. The solutions from the HDG formulation presented in this work trend towards the benchmark as the spatial polynomial order and the temporal order of integration are increased.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The Target-Matrix Optimization Paradigm for High-Order Meshes

Here, we describe a framework for controlling and improving the quality of high-order finite element meshes based on extensions of the Target-Matrix Optimization Paradigm (TMOP) of [P. Knupp, Eng. Comput., 28 (2012), pp. 419--429]. This approach allows high-order applications to have a very precise control over local mesh quality, while still improving the mesh globally. We address the adaption of various TMOP components to the settings of general isoparametric element mappings, including the mesh quality metric in 2D and 3D, the selection of sample points and the solution of the resulting mesh optimization problem. We also investigate additional practical concerns, such as tangential relaxation and restricting the deviation from the original mesh. The benefits of the new high-order TMOP algorithms are illustrated on a number of test problems and examples from a high-order arbitrary Lagrangian--Eulerian (ALE) application [BLAST: High-order curvilinear finite elements for shock hydrodynamics, http://www.llnl.gov/CASC/blast]. Our implementation is freely available in an open-source library form [MFEM: Modular parallel finite element methods library, http://mfem.org].

97 MATHEMATICS AND COMPUTING↗

Learning Robust Marking Policies for Adaptive Mesh Refinement

Here in this work, we revisit the marking decisions made in the standard adaptive finite element method (AFEM). Experience shows that a naïve marking policy leads to inefficient use of computational resources for adaptive mesh refinement (AMR). Consequently, using AMR in practice often involves ad-hoc or time-consuming offline parameter tuning to set appropriate parameters for the marking subroutine. To address these practical concerns, we recast AMR as a Markov decision process in which refinement parameters can be selected on-the-fly at run time, without the need for pre-tuning by expert users. In this new paradigm, the refinement parameters are also chosen adaptively via a marking policy that can be optimized using methods from reinforcement learning. We use the Poisson equation to demonstrate our techniques on h- and hp-refinement benchmark problems, and our experiments suggest that superior marking policies remain undiscovered for many classical AFEM applications. Furthermore, an unexpected observation from this work is that marking policies trained on one family of PDEs are sometimes robust enough to perform well on problems far outside the training family. For illustration, we show that a simple hp-refinement policy trained on 2D domains with only a single re-entrant corner can be deployed on far more complicated 2D domains, and even 3D domains, without significant performance loss. For reproduction and broader adoption, we accompany this work with an open-source implementation of our methods.

97 MATHEMATICS AND COMPUTING↗

An adaptive discontinuous Petrov-Galerkin method for the Grad-Shafranov equation

In this work, we propose and develop an arbitrary-order adaptive discontinuous Petrov--Galerkin (DPG) method for the nonlinear Grad--Shafranov equation. An ultraweak formulation of the DPG scheme for the equation is given based on a minimal residual method. The DPG scheme has the advantage of providing more accurate gradients compared to conventional finite element methods, which is desired for numerical solutions to the Grad--Shafranov equation. The numerical scheme is augmented with an adaptive mesh refinement approach, and a criterion based on the residual norm in the minimal residual method is developed to achieve dynamic refinement. Nonlinear solvers for the resulting system are explored and a Picard iteration with Anderson acceleration is found to be efficient to solve the system. Finally, the proposed algorithm is implemented in parallel on MFEM using a domain-decomposition approach, and our implementation is general, supporting arbitrary order of accuracy and general meshes. Furthermore, numerical results are presented to demonstrate the efficiency and accuracy of the proposed algorithm.

97 MATHEMATICS AND COMPUTING↗

Extending TOUGH + HYDRATE with a parallel particle transport simulator: numerical investigation of sand production during gas production from hydrate deposits

A new parallel code for simulating particle transport in porous media is integrated with the TOUGH + HYDRATE simulator to investigate sand production associated with gas production from unconsolidated gas hydrate-bearing sediments (HBS). Here, the parallel coupled simulator is named THMPT and uses the integral finite difference method to describe the Darcian and non-Darcian flow of fluids and heat transport, the finite element method to describe the associated geomechanical changes, and the discrete element method to track the trajectory of individual sand particles within the HBS. The THMPT simulator is written in Fortran, incorporates multiple optimized algorithms, and can comprehensively address the coupled flow, thermal, chemical, geomechanical, and particle transport processes that characterize the system behaviors during gas production from HBS. The simulator can capture all processes involved in sand particle transport in porous media, including sand detachment, collision, clogging (i.e., bridging), and migration. A benchmark case study of sand production in the course of depressurization-induced gas production from a representative HBS reveals various distinct microscopic particle migration mechanisms and the adverse impact of sand particle detachment, transport, and clogging. The numerical investigation also examines the effect of bottomhole pressure on mitigating sand production. The simulation results indicate that sand clogging near the wellbore significantly reduces permeability, decreasing gas production by at least 50%. Lastly, the efficiency of gravel packing in mitigating sand production is numerically evaluated, revealing that the structure of the porous media appears to profoundly influence the macroscopic motion behavior of sand particles and sand clogging characteristics.

discrete element method↗

A Comprehensive Review on Finite Element Analysis of Laser Shock Peening

Laser shock peening (LSP) is a formidable cold working surface treatment that provides high-energy precision to enhance the mechanical properties of materials. This paper delves into the intricacies of the LSP process, offering insights into its methodology and the simulation thereof through the finite element method. This review critically examines various points, such as laser energy, overlapping of shots, effect of LSP on residual stress, effect of LSP on grain refinement, and algorithms for simulation extrapolated from finite element analyses conducted by researchers, shedding light on the nuanced considerations integral to this technique. As the significance of LSP continues to grow, the collective findings underscore its potential as a transformative technology for fortifying materials against mechanical stress and improving their overall performance and longevity. The discourse encapsulates the evolving landscape of the LSP, emphasizing the pivotal role played by finite element analysis in advancing our understanding and application of this innovative surface treatment.

36 MATERIALS SCIENCE↗