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Formulation and computation of dynamic, interface-compatible Whitney complexes in three dimensions

Journal of Computational Physics

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

A discrete De Rham complex enables compatible, structure-preserving discretizations for a broad range of partial differential equations problems. Such discretizations can correctly reproduce the physics of interface problems, provided the grid conforms to the interface. However, large deformations, complex geometries, and evolving interfaces makes generation of such grids difficult. We develop and demonstrate two formally equivalent approaches that, for a given background mesh, dynamically construct an interface-conforming discrete De Rham complex. Both approaches start by dividing cut elements into interface-conforming subelements but differ in how they build the finite element basis on these subelements. The first approach discards the existing non-conforming basis of the parent element and replaces it by a dynamic set of degrees of freedom of the same kind. The second approach defines the interface-conforming degrees of freedom on the subelements as superpositions of the basis functions of the parent element. These approaches generalize the Conformal Decomposition Finite Element Method (CDFEM) and the extended finite element method with algebraic constraints (XFEM-AC), respectively, across the De Rham complex.

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TYPE Journal Article YEAR 2018
ScopusOSTIDOI

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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TYPE Conference Poster YEAR 2018
ScopusOSTIDOI

Towards a scalable multifidelity simulation approach for electrokinetic problems at the mesoscale

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

Hong, Brian D.; Perego, Mauro P.; Bochev, Pavel B.; Frischknecht, Amalie F.; Phillips, Edward G.

In this work we present a computational capability featuring a hierarchy of models with different fidelities for the solution of electrokinetics problems at the micro-/nano-scale. A multifidelity approach allows the selection of the most appropriate model, in terms of accuracy and computational cost, for the particular application at hand. We demonstrate the proposed multifidelity approach by studying the mobility of a colloid in a micro-channel as a function of the colloid charge and of the size of the ions dissolved in the fluid.

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TYPE Conference Poster YEAR 2018
ScopusOSTIDOI

A hybrid, coupled approach for modeling charged fluids from the nano to the mesoscale

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.

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TYPE Journal Article YEAR 2017
ScopusOSTIDOI
Results 51–75 of 212
Results 51–75 of 212