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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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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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First-passage time statistics on surfaces of general shape: Surface PDE solvers using Generalized Moving Least Squares (GMLS)

Journal of Computational Physics

Gross, B.J.; Kuberry, Paul A.; Atzberger, P.J.

We develop numerical methods for computing statistics of stochastic processes on surfaces of general shape with drift-diffusion dynamics dXt=a(Xt)dt+b(Xt)dWt. We formulate descriptions of Brownian motion and general drift-diffusion processes on surfaces. We consider statistics of the form u(x)=Ex[∫0τg(Xt)dt]+Ex[f(Xτ)] for a domain Ω and the exit stopping time τ=inft⁡{t>0|Xt∉Ω}, where f,g are general smooth functions. For computing these statistics, we develop high-order Generalized Moving Least Squares (GMLS) solvers for associated surface PDE boundary-value problems based on Backward-Kolmogorov equations. We focus particularly on the mean First Passage Times (FPTs) given by the case f=0,g=1 where u(x)=Ex[τ]. We perform studies for a variety of shapes showing our methods converge with high-order accuracy both in capturing the geometry and the surface PDE solutions. We then perform studies showing how statistics are influenced by the surface geometry, drift dynamics, and spatially dependent diffusivities.

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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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Meshfree methods on manifolds for hydrodynamic flows on curved surfaces: A Generalized Moving Least-Squares (GMLS) approach

Journal of Computational Physics

Gross, B.J.; Trask, N.; Kuberry, Paul A.; Atzberger, P.J.

We utilize generalized moving least squares (GMLS) to develop meshfree techniques for discretizing hydrodynamic flow problems on manifolds. We use exterior calculus to formulate incompressible hydrodynamic equations in the Stokesian regime and handle the divergence-free constraints via a generalized vector potential. This provides less coordinate-centric descriptions and enables the development of efficient numerical methods and splitting schemes for the fourth-order governing equations in terms of a system of second-order elliptic operators. Using a Hodge decomposition, we develop methods for manifolds having spherical topology. We show the methods exhibit high-order convergence rates for solving hydrodynamic flows on curved surfaces. The methods also provide general high-order approximations for the metric, curvature, and other geometric quantities of the manifold and associated exterior calculus operators. The approaches also can be utilized to develop high-order solvers for other scalar-valued and vector-valued problems on manifolds.

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Compatible meshfree discretization of surface PDEs

Computational Particle Mechanics

Trask, Nathaniel A.; Kuberry, Paul A.

Meshfree discretization of surface partial differential equations is appealing, due to their ability to naturally adapt to deforming motion of the underlying manifold. In this work, we consider an existing scheme proposed by Liang et al. reinterpreted in the context of generalized moving least squares (GMLS), showing that existing numerical analysis from the GMLS literature applies to their scheme. With this interpretation, their approach may then be unified with recent work developing compatible meshfree discretizations for the div-grad problem in Rd. Informally, this is analogous to an extension of collocated finite differences to staggered finite difference methods, but in the manifold setting and with unstructured nodal data. In this way, we obtain a compatible meshfree discretization of elliptic problems on manifolds which is naturally stable for problems with material interfaces, without the need to introduce numerical dissipation or local enrichment near the interface. We provide convergence studies illustrating the high-order convergence and stability of the approach for manufactured solutions and for an adaptation of the classical five-strip benchmark to a cylindrical manifold.

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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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Development, Demonstration and Validation of Data-Driven Compact Diode Models for Circuit Simulation and Analysis

Aadithya, Karthik V.; Kuberry, Paul A.; Paskaleva, Biliana S.; Bochev, Pavel B.; Leeson, Kenneth M.; Mar, Alan M.; Mei, Ting M.; Keiter, Eric R.

Compact semiconductor device models are essential for efficiently designing and analyzing large circuits. However, traditional compact model development requires a large amount of manual effort and can span many years. Moreover, inclusion of new physics (e.g., radiation effects) into an existing model is not trivial and may require redevelopment from scratch. Machine Learning (ML) techniques have the potential to automate and significantly speed up the development of compact models. In addition, ML provides a range of modeling options that can be used to develop hierarchies of compact models tailored to specific circuit design stages. In this paper, we explore three such options: (1) table-based interpolation, (2) Generalized Moving Least-Squares, and (3) feedforward Deep Neural Networks, to develop compact models for a p-n junction diode. We evaluate the performance of these "data-driven" compact models by (1) comparing their voltage-current characteristics against laboratory data, and (2) building a bridge rectifier circuit using these devices, predicting the circuit's behavior using SPICE-like circuit simulations, and then comparing these predictions against laboratory measurements of the same circuit.

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Modeling concept and numerical simulation of ultrasonic wave propagation in a moving fluid-structure domain based on a monolithic approach

Applied Mathematical Modelling

Ebna Hai, Bhuiyan S.; Bause, Markus; Kuberry, Paul A.

In the present study, we propose a novel multiphysics model that merges two time-dependent problems – the Fluid-Structure Interaction (FSI) and the ultrasonic wave propagation in a fluid-structure domain with a one directional coupling from the FSI problem to the ultrasonic wave propagation problem. This model is referred to as the “eXtended fluid-structure interaction (eXFSI)” problem. This model comprises isothermal, incompressible Navier–Stokes equations with nonlinear elastodynamics using the Saint-Venant Kirchhoff solid model. The ultrasonic wave propagation problem comprises monolithically coupled acoustic and elastic wave equations. To ensure that the fluid and structure domains are conforming, we use the ALE technique. The solution principle for the coupled problem is to first solve the FSI problem and then to solve the wave propagation problem. Accordingly, the boundary conditions for the wave propagation problem are automatically adopted from the FSI problem at each time step. The overall problem is highly nonlinear, which is tackled via a Newton-like method. The model is verified using several alternative domain configurations. To ensure the credibility of the modeling approach, the numerical solution is contrasted against experimental data.

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Compatible Particle Discretizations. Final LDRD Report

Bochev, Pavel B.; Bosler, Peter A.; Kuberry, Paul A.; Perego, Mauro P.; Peterson, Kara J.; Trask, Nathaniel A.

This report summarizes the work performed under a three year LDRD project aiming to develop mathematical and software foundations for compatible meshfree and particle discretizations. We review major technical accomplishments and project metrics such as publications, conference and colloquia presentations and organization of special sessions and minisimposia. The report concludes with a brief summary of ongoing projects and collaborations that utilize the products of this work.

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Explicit synchronous partitioned algorithms for interface problems based on Lagrange multipliers

Computers and Mathematics with Applications

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

Traditional explicit partitioned schemes exchange boundary conditions between subdomains and can be related to iterative solution methods for the coupled problem. As a result, these schemes may require multiple subdomain solves, acceleration techniques, or optimized transmission conditions to achieve sufficient accuracy and/or stability. We present a new synchronous partitioned method derived from a well-posed mixed finite element formulation of the coupled problem. We transform the resulting Differential Algebraic Equation (DAE) to a Hessenberg index-1 form in which the algebraic equation defines the Lagrange multiplier as an implicit function of the states. Using this fact we eliminate the multiplier and reduce the DAE to a system of explicit ODEs for the states. Explicit time integration both discretizes this system in time and decouples its equations. As a result, the temporal accuracy and stability of our formulation are governed solely by the accuracy and stability of the explicit scheme employed and are not subject to additional stability considerations as in traditional partitioned schemes. We establish sufficient conditions for the formulation to be well-posed and prove that classical mortar finite elements on the interface are a stable choice for the Lagrange multiplier. We show that in this case the condition number of the Schur complement involved in the elimination of the multiplier is bounded by a constant. The paper concludes with numerical examples illustrating the approach for two different interface problems.

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A virtual control coupling approach for problems with non-coincident discrete interfaces

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

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

Independent meshing of subdomains separated by an interface can lead to spatially non-coincident discrete interfaces. We present an optimization-based coupling method for such problems, which does not require a common mesh refinement of the interface, has optimal H1 convergence rates, and passes a patch test. The method minimizes the mismatch of the state and normal stress extensions on discrete interfaces subject to the subdomain equations, while interface “fluxes” provide virtual Neumann controls.

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Finite element approximation of the extended fluid-structure interaction (eXFSI) problem

American Society of Mechanical Engineers, Fluids Engineering Division (Publication) FEDSM

Hai, Bhuiyan S.; Bause, Markus; Kuberry, Paul A.

This contribution is the second part of three papers on Adaptive Multigrid Methods for the eXtended Fluid-Structure Interaction (eXFSI) Problem, where we introduce a monolithic variational formulation and solution techniques. To the best of our knowledge, such a model is new in the literature. This model is used to design an on-line structural health monitoring (SHM) system in order to determine the coupled acoustic and elastic wave propagation in moving domains and optimum locations for SHM sensors. In a monolithic nonlinear fluid-structure interaction (FSI), the fluid and structure models are formulated in different coordinate systems. This makes the FSI setup of a common variational description difficult and challenging. This article presents the state-of-the-art in the finite element approximation of FSI problem based on monolithic variational formulation in the well-established arbitrary Lagrangian Eulerian (ALE) framework. This research focuses on the newly developed mathematical model of a new FSI problem, which is referred to as extended Fluid-Structure Interaction (eXFSI) problem in the ALE framework. The eXFSI is a strongly coupled problem of typical FSI with a coupled wave propagation problem on the fluid-solid interface (WpFSI). The WpFSI is a strongly coupled problem of acoustic and elastic wave equations, where wave propagation problems automatically adopts the boundary conditions from the FSI problem at each time step. The ALE approach provides a simple but powerful procedure to couple solid deformations with fluid flows by a monolithic solution algorithm. In such a setting, the fluid problems are transformed to a fixed reference configuration by the ALE mapping. The goal of this work is the development of concepts for the efficient numerical solution of eXFSI problem, the analysis of various fluid-solid mesh motion techniques and comparison of different second-order time-stepping schemes. This work consists of the investigation of different time stepping scheme formulations for a nonlinear FSI problem coupling the acoustic/elastic wave propagation on the fluid-structure interface. Temporal discretization is based on finite differences and is formulated as a one step-θ scheme, from which we can consider the following particular cases: the implicit Euler, Crank-Nicolson, shifted Crank-Nicolson and the Fractional-Step-θ schemes. The nonlinear problem is solved with a Newton-like method where the discretization is done with a Galerkin finite element scheme. The implementation is accomplished via the software library package DOPELIB based on the deal. II finite element library for the computation of different eXFSI configurations.

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A variational flux recovery approach for elastodynamics problems with interfaces

PANACM 2015 - 1st Pan-American Congress on Computational Mechanics, in conjunction with the 11th Argentine Congress on Computational Mechanics, MECOM 2015

Bochev, Pavel B.; Kuberry, Paul A.

We present a new explicit algorithm for linear elastodynamic problems with material interfaces. The method discretizes the governing equations independently on each material subdomain and then connects them by exchanging forces and masses across the material interface. Variational flux recovery techniques provide the force and mass approximations. The new algorithm has attractive computational properties. It allows different discretizations on each material subdomain and enables partitioned solution of the discretized equations. The method passes a linear patch test and recovers the solution of a monolithic discretization of the governing equations when interface grids match.

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71 Results
71 Results