Pavel Bochev

James Cheung, Mauro Perego, Pavel Bochev et al.

Meshing of geometric domains having curved boundaries by affine simplices produces a polytopial approximation of those domains. The resulting error in the representation of the domain limits the accuracy of finite element methods based on such meshes. On the other hand, the simplicity of affine meshes makes them a desirable modeling tool in many applications. In this paper, we develop and analyze higher-order accurate finite element methods that remain stable and optimally accurate on polytopial approximations of domains with smooth boundaries. This is achieved by constraining a judiciously chosen extension of the finite element solution on the polytopial domain to weakly match the prescribed boundary condition on the true geometric boundary. We provide numerical examples that highlight key properties of the new method and that illustrate the optimal $H^1$ and $L^2$-norm convergence rates.

Nathaniel Trask, Mauro Perego, Pavel Bochev

We present a new meshless method for scalar diffusion equations which is motivated by their compatible discretizations on primal-dual grids. Unlike the latter though, our approach is truly meshless because it only requires the graph of nearby neighbor connectivity of the discretization points $\bm{x}_i$. This graph defines a local primal-dual grid complex with a \emph{virtual} dual grid, in the sense that specification of the dual metric attributes is implicit in the method's construction. Our method combines a topological gradient operator on the local primal grid with a Generalized Moving Least Squares approximation of the divergence on the local dual grid. We show that the resulting approximation of the div-grad operator maintains polynomial reproduction to arbitrary orders and yields a meshless method, which attains $O(h^{m})$ convergence in both $L^2$ and $H^1$ norms, similar to mixed finite element methods. We demonstrate this convergence on curvilinear domains using manufactured solutions. Application of the new method to problems with discontinuous coefficients reveals solutions that are qualitatively similar to those of compatible mesh-based discretizations.

Nathaniel Trask, Pavel Bochev, Mauro Perego

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.

Amy de Castro, Paul Kuberry, Irina Tezaur et al.

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. 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.

Pavel Bochev, James Cheung, Max Gunzburger et al.

In this paper, we present a new numerical method for determining the numerical solution of interface problems to optimal accuracy with respect to the polynomial order of the Lagrangian finite element space on polytopial meshes. We introduce the notion of a virtual interface, and on this virtual interface we enforce that "extended" interface conditions are satisfied in the sense of a Dirichlet--Neumann coupling. The virtual interface framework serves to bypass geometric variational crimes incurred by the classical finite element method. Further, this approach does not require that the geometric interfaces are spatially matching. Our analysis indicates that this approach is well--posed and optimally convergent in $H^1$. Numerical experiments indicate that optimal $H^1$ and $L^2$ convergence is achieved.

Pavel Bochev, James Cheung, Max Gunzburger et al.

We present a new formulation based on the classical Dirichlet-Neumann formulation for interface coupling problems in linearized elasticity. By using Taylor series expansions, we derive a new set of interface conditions that allow our formulation to pass the linear consistency test. In addition, we propose an iterative method to determine the solution of our formulation. We demonstrate in our numerical results that we may achieve the desired piecewise linear finite element error bounds for both nonoverlapping domain decomposition problems as well as for interface coupling problems where the Lamé parameters of the structures differ.

Joshua Hanson, Pavel Bochev, Biliana Paskaleva

Radiation-induced photocurrent in semiconductor devices can be simulated using complex physics-based models, which are accurate, but computationally expensive. This presents a challenge for implementing device characteristics in high-level circuit simulations where it is computationally infeasible to evaluate detailed models for multiple individual circuit elements. In this work we demonstrate a procedure for learning compact delayed photocurrent models that are efficient enough to implement in large-scale circuit simulations, but remain faithful to the underlying physics. Our approach utilizes Dynamic Mode Decomposition (DMD), a system identification technique for learning reduced order discrete-time dynamical systems from time series data based on singular value decomposition. To obtain physics-aware device models, we simulate the excess carrier density induced by radiation pulses by solving numerically the Ambipolar Diffusion Equation, then use the simulated internal state as training data for the DMD algorithm. Our results show that the significantly reduced order delayed photocurrent models obtained via this method accurately approximate the dynamics of the internal excess carrier density -- which can be used to calculate the induced current at the device boundaries -- while remaining compact enough to incorporate into larger circuit simulations.

Derek Olson, Alexander V. Shapeev, Pavel Bochev et al.

We formulate and analyze an optimization-based Atomistic-to-Continuum (AtC) coupling method for problems with point defects. Near the defect core the method employs a potential-based atomistic model, which enables accurate simulation of the defect. Away from the core, where site energies become nearly independent of the lattice position, the method switches to a more efficient continuum model. The two models are merged by minimizing the mismatch of their states on an overlap region, subject to the atomistic and continuum force balance equations acting independently in their domains. We prove that the optimization problem is well-posed and establish error estimates.