Publications

Bochev, Pavel B.; Ridzal, Denis R.

Abstract not provided.

Siefert, Christopher S.; Kramer, Richard M.; Voth, Thomas E.; Bochev, Pavel B.

Abstract not provided.

Ridzal, Denis R.; Bochev, Pavel B.

Abstract not provided.

Proposed for publication in Applied Numerical Mathematics.

Bochev, Pavel B.; Dohrmann, Clark R.

Abstract not provided.

Bochev, Pavel B.; Moe, Scott M.; Peterson, Kara J.; Ridzal, Denis R.

Abstract not provided.

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.

COUPLED PROBLEMS 2015 - Proceedings of the 6th International Conference on Coupled Problems in Science and Engineering

Bochev, Pavel B.; Moe, Scott A.; Peterson, Kara J.; Ridzal, Denis R.

We present a new optimization-based, conservative, and quasi-monotone method for passive tracer transport. The scheme combines high-order spectral element discretization in space with semi-Lagrangian time stepping. Solution of a singly linearly constrained quadratic program with simple bounds enforces conservation and physically motivated solution bounds. The scheme can handle efficiently a large number of passive tracers because the semi-Lagrangian time stepping only needs to evolve the grid points where the primitive variables are stored and allows for larger time steps than a conventional explicit spectral element method. Numerical examples show that the use of optimization to enforce physical properties does not affect significantly the spectral accuracy for smooth solutions. Performance studies reveal the benefits of high-order approximations, including for discontinuous solutions.

D'Elia, Marta D.; Perego, Mauro P.; Bochev, Pavel B.; Littlewood, David J.

Abstract not provided.

Perego, Mauro P.; D'Elia, Marta D.; Bochev, Pavel B.; Littlewood, David J.

Abstract not provided.

D'Elia, Marta D.; Littlewood, David J.; Perego, Mauro P.; Bochev, Pavel B.

Abstract not provided.

Computers and Mathematics with Applications (Oxford)

D'Elia, Marta D.; Perego, Mauro P.; Bochev, Pavel B.; Littlewood, David J.

We develop and analyze an optimization-based method for the coupling of nonlocal and local diffusion problems with mixed volume constraints and boundary conditions. The approach formulates the coupling as 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 nonlocal and local domains, and the controls are virtual volume constraints and boundary conditions. When some assumptions on the kernel functions hold, we prove that the resulting optimization problem is well-posed and discuss its implementation using Sandia’s agile software components toolkit. As a result, the latter provides the groundwork for the development of engineering analysis tools, while numerical results for nonlocal diffusion in three-dimensions illustrate key properties of the optimization-based coupling method.

Computers and Mathematics with Applications

D'Elia, Marta D.; Perego, Mauro P.; Bochev, Pavel B.; Littlewood, David J.

We develop and analyze an optimization-based method for the coupling of nonlocal and local diffusion problems with mixed volume constraints and boundary conditions. The approach formulates the coupling as 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 nonlocal and local domains, and the controls are virtual volume constraints and boundary conditions. When some assumptions on the kernel functions hold, we prove that the resulting optimization problem is well-posed and discuss its implementation using Sandia's agile software components toolkit. The latter provides the groundwork for the development of engineering analysis tools, while numerical results for nonlocal diffusion in three-dimensions illustrate key properties of the optimization-based coupling method.

SIAM Journal on Scientific Computing

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

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 xi. This graph defines a local primal-dual grid complex with a 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(hm) convergence in both L2- and H1-norms, similar to mixed finite element methods. We demonstrate this convergence on curvilinear domains using manufactured solutions in two and three dimensions. Application of the new method to problems with discontinuous coefficients reveals solutions that are qualitatively similar to those of compatible mesh-based discretizations.

Bochev, Pavel B.

Abstract not provided.

Journal of Computational Physics

Cheung, James C.; Frischknecht, Amalie F.; Perego, Mauro P.; Bochev, Pavel B.

We develop and demonstrate a new, hybrid simulation approach for charged fluids, which combines the accuracy of the nonlocal, classical density functional theory (cDFT) with the efficiency of the Poisson–Nernst–Planck (PNP) equations. The approach is motivated by the fact that the more accurate description of the physics in the cDFT model is required only near the charged surfaces, while away from these regions the PNP equations provide an acceptable representation of the ionic system. We formulate the hybrid approach in two stages. The first stage defines a coupled hybrid model in which the PNP and cDFT equations act independently on two overlapping domains, subject to suitable interface coupling conditions. At the second stage we apply the principles of the alternating Schwarz method to the hybrid model by using the interface conditions to define the appropriate boundary conditions and volume constraints exchanged between the PNP and the cDFT subdomains. Numerical examples with two representative examples of ionic systems demonstrate the numerical properties of the method and its potential to reduce the computational cost of a full cDFT calculation, while retaining the accuracy of the latter near the charged surfaces.

Lecture Notes in Computational Science and Engineering

Gerritsma, Marc; Bochev, Pavel B.

We present a locally conservative spectral least-squares formulation for the scalar diffusion-reaction equation in curvilinear coordinates. Careful selection of a least squares functional and compatible finite dimensional subspaces for the solution space yields the conservation properties. Numerical examples confirm the theoretical properties of the method.

International Journal for Numerical Methods in Fluids

Bochev, Pavel B.; Lai, James; Olson, Luke

Conventional least-squares finite element methods (LSFEMs) for incompressible flows conserve mass only approximately. For some problems, mass loss levels are large and result in unphysical solutions. In this paper we formulate a new, locally conservative LSFEM for the Stokes equations wherein a discrete velocity field is computed that is point-wise divergence free on each element. The central idea is to allow discontinuous velocity approximations and then to define the velocity field on each element using a local stream-function. The effect of the new LSFEM approach on improved local and global mass conservation is compared with a conventional LSFEM for the Stokes equations employing standard C 0 Lagrangian elements. © 2011 John Wiley & Sons, Ltd.

Bochev, Pavel B.; Christon, Mark A.; Collis, Samuel S.; Lehoucq, Richard B.; Shadid, John N.; Slepoy, Alexander S.

Existing approaches in multiscale science and engineering have evolved from a range of ideas and solutions that are reflective of their original problem domains. As a result, research in multiscale science has followed widely diverse and disjoint paths, which presents a barrier to cross pollination of ideas and application of methods outside their application domains. The status of the research environment calls for an abstract mathematical framework that can provide a common language to formulate and analyze multiscale problems across a range of scientific and engineering disciplines. In such a framework, critical common issues arising in multiscale problems can be identified, explored and characterized in an abstract setting. This type of overarching approach would allow categorization and clarification of existing models and approximations in a landscape of seemingly disjoint, mutually exclusive and ad hoc methods. More importantly, such an approach can provide context for both the development of new techniques and their critical examination. As with any new mathematical framework, it is necessary to demonstrate its viability on problems of practical importance. At Sandia, lab-centric, prototype application problems in fluid mechanics, reacting flows, magnetohydrodynamics (MHD), shock hydrodynamics and materials science span an important subset of DOE Office of Science applications and form an ideal proving ground for new approaches in multiscale science.

Bochev, Pavel B.; Collis, Samuel S.; Jones, Reese E.; Lehoucq, Richard B.; Parks, Michael L.; Scovazzi, Guglielmo S.; Silling, Stewart A.; Templeton, Jeremy A.

This report is a collection of documents written as part of the Laboratory Directed Research and Development (LDRD) project A Mathematical Framework for Multiscale Science and Engineering: The Variational Multiscale Method and Interscale Transfer Operators. We present developments in two categories of multiscale mathematics and analysis. The first, continuum-to-continuum (CtC) multiscale, includes problems that allow application of the same continuum model at all scales with the primary barrier to simulation being computing resources. The second, atomistic-to-continuum (AtC) multiscale, represents applications where detailed physics at the atomistic or molecular level must be simulated to resolve the small scales, but the effect on and coupling to the continuum level is frequently unclear.

Cheung, James C.; Frischknecht, Amalie F.; Perego, Mauro P.; Bochev, Pavel B.

Abstract not provided.

Computer Methods in Applied Mechanics and Engineering

Hughes, Thomas J.R.; Scovazzi, Guglielmo S.; Bochev, Pavel B.; Buffa, Annalisa

Proliferation of degrees-of-freedom has plagued discontinuous Galerkin methodology from its inception over 30 years ago. This paper develops a new computational formulation that combines the advantages of discontinuous Galerkin methods with the data structure of their continuous Galerkin counterparts. The new method uses local, element-wise problems to project a continuous finite element space into a given discontinuous space, and then applies a discontinuous Galerkin formulation. The projection leads to parameterization of the discontinuous degrees-of-freedom by their continuous counterparts and has a variational multiscale interpretation. This significantly reduces the computational burden and, at the same time, little or no degradation of the solution occurs. In fact, the new method produces improved solutions compared with the traditional discontinuous Galerkin method in some situations. © 2005 Elsevier B.V. All rights reserved.

Scovazzi, Guglielmo S.; Bochev, Pavel B.

Abstract not provided.

Scovazzi, Guglielmo S.; Bochev, Pavel B.

Proliferation of degrees-of-freedom has plagued discontinuous Galerkin methodology from its inception over 30 years ago. This paper develops a new computational formulation that combines the advantages of discontinuous Galerkin methods with the data structure of their continuous Galerkin counterparts. The new method uses local, element-wise problems to project a continuous finite element space into a given discontinuous space, and then applies a discontinuous Galerkin formulation. The projection leads to parameterization of the discontinuous degrees-of-freedom by their continuous counterparts and has a variational multiscale interpretation. This significantly reduces the computational burden and, at the same time, little or no degradation of the solution occurs. In fact, the new method produces improved solutions compared with the traditional discontinuous Galerkin method in some situations.

Bochev, Pavel B.; Perego, Mauro P.; Gao, Xujiao G.; Peterson, Kara J.

Abstract not provided.

Bochev, Pavel B.; Kuberry, Paul A.

Abstract not provided.

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.

Hanson, Joshua M.; Paskaleva, Biliana S.; Bochev, Pavel B.; Keiter, Eric R.; Hembree, Charles E.; Kuberry, Paul A.

Abstract not provided.

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

Abstract not provided.

Computers and Mathematics with Applications (Oxford)

Bochev, Pavel B.

We present a spectral mimetic least-squares method for a model diffusion–reaction problem, which preserves key conservation properties of the continuum problem. Casting the model problem into a first-order system for two scalar and two vector variables shifts material properties from the differential equations to a pair of constitutive relations. We also use this system to motivate a new least-squares functional involving all four fields and show that its minimizer satisfies the differential equations exactly. Discretization of the four-field least-squares functional by spectral spaces compatible with the differential operators leads to a least-squares method in which the differential equations are also satisfied exactly. Additionally, the latter are reduced to purely topological relationships for the degrees of freedom that can be satisfied without reference to basis functions. Furthermore, numerical experiments confirm the spectral accuracy of the method and its local conservation.

Computers and Mathematics with Applications

Gerritsma, Marc; Bochev, Pavel B.

Formulation of locally conservative least-squares finite element methods (LSFEMs) for the Stokes equations with the no-slip boundary condition has been a long standing problem. Existing LSFEMs that yield exactly divergence free velocities require non-standard boundary conditions (Bochev and Gunzburger, 2009 [3]), while methods that admit the no-slip condition satisfy the incompressibility equation only approximately (Bochev and Gunzburger, 2009 [4, Chapter 7]). Here we address this problem by proving a new non-standard stability bound for the velocity-vorticity-pressure Stokes system augmented with a no-slip boundary condition. This bound gives rise to a norm-equivalent least-squares functional in which the velocity can be approximated by div-conforming finite element spaces, thereby enabling a locally-conservative approximations of this variable. We also provide a practical realization of the new LSFEM using high-order spectral mimetic finite element spaces (Kreeft et al., 2011) and report several numerical tests, which confirm its mimetic properties.

Ridzal, Denis R.; Bochev, Pavel B.

The class of discontinuous Petrov-Galerkin finite element methods (DPG) proposed by L. Demkowicz and J. Gopalakrishnan guarantees the optimality of the solution in an energy norm and produces a symmetric positive definite stiffness matrix, among other desirable properties. In this paper, we describe a toolbox, implemented atop Sandia's Trilinos library, for rapid development of solvers for DPG methods. We use this toolbox to develop solvers for the Poisson and Stokes problems.

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.

Bochev, Pavel B.; Kuberry, Paul A.

Abstract not provided.

Bochev, Pavel B.

Abstract not provided.

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.

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.

Bochev, Pavel B.

Abstract not provided.

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

Abstract not provided.

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

Abstract not provided.

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

Abstract not provided.

Robinson, Allen C.; Petney, Sharon P.; Drake, Richard R.; Weirs, Vincent G.; Adams, Brian M.; Vigil, Dena V.; Carpenter, John H.; Garasi, Christopher J.; Wong, Michael K.; Robbins, Joshua R.; Siefert, Christopher S.; Strack, Otto E.; Wills, Ann E.; Trucano, Timothy G.; Bochev, Pavel B.; Summers, Randall M.; Stewart, James R.; Ober, Curtis C.; Rider, William J.; Haill, Thomas A.; Lemke, Raymond W.; Cochrane, Kyle C.; Desjarlais, Michael P.; Love, Edward L.; Voth, Thomas E.; Mosso, Stewart J.; Niederhaus, John H.

Abstract not provided.

Siefert, Christopher S.; Bochev, Pavel B.; Tuminaro, Raymond S.; Hu, Jonathan J.

Abstract not provided.

Siefert, Christopher S.; Bochev, Pavel B.; Hu, Jonathan J.; Tuminaro, Raymond S.

Abstract not provided.

Siefert, Christopher S.; Bochev, Pavel B.; Voth, Thomas E.; Kramer, Richard M.

Abstract not provided.

Tuminaro, Raymond S.; Bochev, Pavel B.; Hu, Jonathan J.

Abstract not provided.

Proposed for publication in SIAM Journal on Scientific Computing.

Bochev, Pavel B.; Tuminaro, Raymond S.; Hu, Jonathan J.

Abstract not provided.

Siefert, Christopher S.; Bochev, Pavel B.; Peterson, Kara J.

Abstract not provided.

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

Abstract not provided.

Computer Methods in Applied Mechanics and Engineering

Kramer, Richard M.; Bochev, Pavel B.; Siefert, Christopher S.; Voth, Thomas E.

Abstract not provided.

Bochev, Pavel B.; Ames, Arlo L.

Abstract not provided.