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A Novel Partitioned Approach for Reduced Order Model—Finite Element Model (ROM-FEM) and ROM-ROM Coupling

Earth and Space 2022

de Castro, Amy G.; Kuberry, Paul A.; Kalashnikova, Irina; Bochev, Pavel B.

Partitioned methods allow one to build a simulation capability for coupled problems by reusing existing single-component codes. In so doing, partitioned methods can shorten code development and validation times for multiphysics and multiscale applications. In this work, we consider a scenario in which one or more of the “codes” being coupled are projection-based reduced order models (ROMs), introduced to lower the computational cost associated with a particular component. We simulate this scenario by considering a model interface problem that is discretized independently on two non-overlapping subdomains. Here we then formulate a partitioned scheme for this problem that allows the coupling between a ROM “code” for one of the subdomains with a finite element model (FEM) or ROM “code” for the other subdomain. The ROM “codes” are constructed by performing proper orthogonal decomposition (POD) on a snapshot ensemble to obtain a low-dimensional reduced order basis, followed by a Galerkin projection onto this basis. The ROM and/or FEM “codes” on each subdomain are then coupled using a Lagrange multiplier representing the interface flux. To partition the resulting monolithic problem, we first eliminate the flux through a dual Schur complement. Application of an explicit time integration scheme to the transformed monolithic problem decouples the subdomain equations, allowing their independent solution for the next time step. We show numerical results that demonstrate the proposed method’s efficacy in achieving both ROM-FEM and ROM-ROM coupling.

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Mathematical Foundations for Nonlocal Interface Problems: Multiscale Simulations of Heterogeneous Materials (Final LDRD Report)

D'Elia, Marta D.; Bochev, Pavel B.; Foster, John E.; Glusa, Christian A.; Gulian, Mamikon G.; Gunzburger, Max G.; Trageser, Jeremy T.; Kuhlman, Kristopher L.; Martinez, Mario A.; Najm, H.N.; Silling, Stewart A.; Tupek, Michael T.; Xu, Xiao X.

Nonlocal models provide a much-needed predictive capability for important Sandia mission applications, ranging from fracture mechanics for nuclear components to subsurface flow for nuclear waste disposal, where traditional partial differential equations (PDEs) models fail to capture effects due to long-range forces at the microscale and mesoscale. However, utilization of this capability is seriously compromised by the lack of a rigorous nonlocal interface theory, required for both application and efficient solution of nonlocal models. To unlock the full potential of nonlocal modeling we developed a mathematically rigorous and physically consistent interface theory and demonstrate its scope in mission-relevant exemplar problems.

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Metrics for Intercomparison of Remapping Algorithms (MIRA) protocol applied to Earth system models

Geoscientific Model Development

Mahadevan, Vijay S.; Guerra, Jorge E.; Jiao, Xiangmin; Kuberry, Paul A.; Li, Yipeng; Ullrich, Paul; Marsico, David; Jacob, Robert; Bochev, Pavel B.; Jones, Philip

Strongly coupled nonlinear phenomena such as those described by Earth system models (ESMs) are composed of multiple component models with independent mesh topologies and scalable numerical solvers. A common operation in ESMs is to remap or interpolate component solution fields defined on their computational mesh to another mesh with a different combinatorial structure and decomposition, e.g., from the atmosphere to the ocean, during the temporal integration of the coupled system. Several remapping schemes are currently in use or available for ESMs. However, a unified approach to compare the properties of these different schemes has not been attempted previously. We present a rigorous methodology for the evaluation and intercomparison of remapping methods through an independently implemented suite of metrics that measure the ability of a method to adhere to constraints such as grid independence, monotonicity, global conservation, and local extrema or feature preservation. A comprehensive set of numerical evaluations is conducted based on a progression of scalar fields from idealized and smooth to more general climate data with strong discontinuities and strict bounds. We examine four remapping algorithms with distinct design approaches, namely ESMF Regrid , TempestRemap , generalized moving least squares (GMLS) with post-processing filters, and WLS-ENOR . By repeated iterative application of the high-order remapping methods to the test fields, we verify the accuracy of each scheme in terms of their observed convergence order for smooth data and determine the bounded error propagation using challenging, realistic field data on both uniform and regionally refined mesh cases. In addition to retaining high-order accuracy under idealized conditions, the methods also demonstrate robust remapping performance when dealing with non-smooth data. There is a failure to maintain monotonicity in the traditional L2-minimization approaches used in ESMF and TempestRemap, in contrast to stable recovery through nonlinear filters used in both meshless GMLS and hybrid mesh-based WLS-ENOR schemes. Local feature preservation analysis indicates that high-order methods perform better than low-order dissipative schemes for all test cases. The behavior of these remappers remains consistent when applied on regionally refined meshes, indicating mesh-invariant implementations. The MIRA intercomparison protocol proposed in this paper and the detailed comparison of the four algorithms demonstrate that the new schemes, namely GMLS and WLS-ENOR, are competitive compared to standard conservative minimization methods requiring computation of mesh intersections. The work presented in this paper provides a foundation that can be extended to include complex field definitions, realistic mesh topologies, and spectral element discretizations, thereby allowing for a more complete analysis of production-ready remapping packages.

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An optimization-based strategy for peridynamic-FEM coupling and for the prescription of nonlocal boundary conditions

D'Elia, Marta D.; Bochev, Pavel B.; Perego, Mauro P.; Trageser, Jeremy T.; Littlewood, David J.

We develop and analyze an optimization-based method for the coupling of a static peridynamic (PD) model and a static classical elasticity model. The approach formulates the coupling as a control problem in which the states are the solutions of the PD and classical equations, the objective is to minimize their mismatch on an overlap of the PD and classical domains, and the controls are virtual volume constraints and boundary conditions applied at the local-nonlocal interface. Our numerical tests performed on three-dimensional geometries illustrate the consistency and accuracy of our method, its numerical convergence, and its applicability to realistic engineering geometries. We demonstrate the coupling strategy as a means to reduce computational expense by confining the nonlocal model to a subdomain of interest, and as a means to transmit local (e.g., traction) boundary conditions applied at a surface to a nonlocal model in the bulk of the domain.

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Formulation, analysis and computation of an optimization-based local-to-nonlocal coupling method

Results in Applied Mathematics

D'Elia, Marta D.; Bochev, Pavel B.

We present an optimization-based coupling method for local and nonlocal continuum models. Our approach couches the coupling of the models into a control problem where the states are the solutions of the nonlocal and local equations, the objective is to minimize their mismatch on the overlap of the local and nonlocal problem domains, and the virtual controls are the nonlocal volume constraint and the local boundary condition. We present the method in the context of Local-to-Nonlocal diffusion coupling. Numerical examples illustrate the theoretical properties of the approach.

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Interface Flux Recovery coupling method for the ocean–atmosphere system

Results in Applied Mathematics

Sockwell, K.C.; Peterson, Kara J.; Kuberry, Paul A.; Bochev, Pavel B.; Trask, Nat

Component coupling is a crucial part of climate models, such as DOE's E3SM (Caldwell et al., 2019). A common coupling strategy in climate models is for their components to exchange flux data from the previous time-step. This approach effectively performs a single step of an iterative solution method for the monolithic coupled system, which may lead to instabilities and loss of accuracy. In this paper we formulate an Interface-Flux-Recovery (IFR) coupling method which improves upon the conventional coupling techniques in climate models. IFR starts from a monolithic formulation of the coupled discrete problem and then uses a Schur complement to obtain an accurate approximation of the flux across the interface between the model components. This decouples the individual components and allows one to solve them independently by using schemes that are optimized for each component. To demonstrate the feasibility of the method, we apply IFR to a simplified ocean–atmosphere model for heat-exchange coupled through the so-called bulk condition, common in ocean–atmosphere systems. We then solve this model on matching and non-matching grids to estimate numerically the convergence rates of the IFR coupling scheme.

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Optimization-based, property-preserving finite element methods for scalar advection equations and their connection to Algebraic Flux Correction

Computer Methods in Applied Mechanics and Engineering

Bochev, Pavel B.; Ridzal, Denis R.; D'Elia, Marta D.; Perego, Mauro P.; Peterson, Kara J.

This paper continues our efforts to exploit optimization and control ideas as a common foundation for the development of property-preserving numerical methods. Here we focus on a class of scalar advection equations whose solutions have fixed mass in a given Eulerian region and constant bounds in any Lagrangian volume. Our approach separates discretization of the equations from the preservation of their solution properties by treating the latter as optimization constraints. This relieves the discretization process from having to comply with additional restrictions and makes stability and accuracy the sole considerations in its design. A property-preserving solution is then sought as a state that minimizes the distance to an optimally accurate but not property-preserving target solution computed by the scheme, subject to constraints enforcing discrete proxies of the desired properties. We consider two such formulations in which the optimization variables are given by the nodal solution values and suitably defined nodal fluxes, respectively. A key result of the paper reveals that a standard Algebraic Flux Correction (AFC) scheme is a modified version of the second formulation obtained by shrinking its feasible set to a hypercube. We conclude with numerical studies illustrating the optimization-based formulations and comparing them with AFC.

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A conservative, consistent, and scalable meshfree mimetic method

Journal of Computational Physics

Trask, Nathaniel A.; Bochev, Pavel B.; Perego, Mauro P.

Mimetic methods discretize divergence by restricting the Gauss theorem to mesh cells. Because point clouds lack such geometric entities, construction of a compatible meshfree divergence remains a challenge. In this work, we define an abstract Meshfree Mimetic Divergence (MMD) operator on point clouds by contraction of field and virtual face moments. This MMD satisfies a discrete divergence theorem, provides a discrete local conservation principle, and is first-order accurate. We consider two MMD instantiations. The first one assumes a background mesh and uses generalized moving least squares (GMLS) to obtain the necessary field and face moments. This MMD instance is appropriate for settings where a mesh is available but its quality is insufficient for a robust and accurate mesh-based discretization. The second MMD operator retains the GMLS field moments but defines virtual face moments using computationally efficient weighted graph-Laplacian equations. This MMD instance does not require a background grid and is appropriate for applications where mesh generation creates a computational bottleneck. It allows one to trade an expensive mesh generation problem for a scalable algebraic one, without sacrificing compatibility with the divergence operator. We demonstrate the approach by using the MMD operator to obtain a virtual finite-volume discretization of conservation laws on point clouds. Numerical results in the paper confirm the mimetic properties of the method and show that it behaves similarly to standard finite volume methods.

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A virtual control, mesh-free coupling method for non-coincident interfaces

Proceedings of the 6th European Conference on Computational Mechanics: Solids, Structures and Coupled Problems, ECCM 2018 and 7th European Conference on Computational Fluid Dynamics, ECFD 2018

Kuberry, Paul A.; Bochev, Pavel B.; Peterson, Kara J.

We present an optimization approach with two controls for coupling elliptic partial differential equations posed on subdomains sharing an interface that is discretized independently on each subdomain, introducing gaps and overlaps. We use two virtual Neumann controls, one defined on each discrete interface, thereby eliminating the need for a virtual common refinement interface mesh. Global flux conservation is achieved by including the square of the difference of the total flux on each interface in the objective. We use Generalized Moving Least Squares (GMLS) reconstruction to evaluate and compare the subdomain solution and gradients at quadrature points used in the cost functional. The resulting method recovers globally linear solutions and shows optimal L2-norm and H1-norm convergence.

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Mesh-Hardened Finite Element Analysis Through a Generalized Moving Least-Squares Approximation of Variational Problems

Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)

Bochev, Pavel B.; Trask, N.; Kuberry, Paul A.; Perego, Mauro P.

In most finite element methods the mesh is used to both represent the domain and to define the finite element basis. As a result the quality of such methods is tied to the quality of the mesh and may suffer when the latter deteriorates. This paper formulates an alternative approach, which separates the discretization of the domain, i.e., the meshing, from the discretization of the PDE. The latter is accomplished by extending the Generalized Moving Least-Squares (GMLS) regression technique to approximation of bilinear forms and using the mesh only for the integration of the GMLS polynomial basis. Our approach yields a non-conforming discretization of the weak equations that can be handled by standard discontinuous Galerkin or interior penalty terms.

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Synchronous and concurrent multidomain computing method for cloud computing platforms

SIAM Journal on Scientific Computing

Anguiano, Marcelino; Kuberry, Paul A.; Bochev, Pavel B.; Masud, Arif

We present a numerical method for synchronous and concurrent solution of transient elastodynamics problem where the computational domain is divided into subdomains that may reside on separate computational platforms. This work employs the variational multiscale discontinuous Galerkin (VMDG) method to develop interdomain transmission conditions for transient problems. The fine-scale modeling concept leads to variationally consistent coupling terms at the common interfaces. The method admits a large class of time discretization schemes, and decoupling of the solution for each subdomain is achieved by selecting any explicit algorithm. Numerical tests with a manufactured solution problem show optimal convergence rates. The energy history in a free vibration problem is in agreement with that of the solution from a monolithic computational domain.

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Results 1–25 of 212
Results 1–25 of 212