December 2024
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28 Reads
The Journal of Open Source Software
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December 2024
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28 Reads
The Journal of Open Source Software
December 2024
SIAM Journal on Multiscale Modeling and Simulation
August 2024
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25 Reads
We derive and analyze a broad class of finite element methods for numerically simulating the stationary, low Reynolds number flow of concentrated mixtures of several distinct chemical species in a common thermodynamic phase. The underlying partial differential equations that we discretize are the Stokes\unicode{x2013}Onsager\unicode{x2013}Stefan\unicode{x2013}Maxwell (SOSM) equations, which model bulk momentum transport and multicomponent diffusion within ideal and non-ideal mixtures. Unlike previous approaches, the methods are straightforward to implement in two and three spatial dimensions, and allow for high-order finite element spaces to be employed. The key idea in deriving the discretization is to suitably reformulate the SOSM equations in terms of the species mass fluxes and chemical potentials, and discretize these unknown fields using stable H(\textrm{div}) \unicode{x2013} L^2 finite element pairs. We prove that the methods are convergent and yield a symmetric linear system for a Picard linearization of the SOSM equations, which staggers the updates for concentrations and chemical potentials. We also discuss how the proposed approach can be extended to the Newton linearization of the SOSM equations, which requires the simultaneous solution of mole fractions, chemical potentials, and other variables. Our theoretical results are supported by numerical experiments and we present an example of a physical application involving the microfluidic non-ideal mixing of hydrocarbons.
July 2024
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11 Reads
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2 Citations
SIAM Journal on Scientific Computing
May 2024
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2 Reads
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2 Citations
SIAM Journal on Scientific Computing
April 2024
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40 Reads
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3 Citations
IMA Journal of Numerical Analysis
We develop finite element methods for coupling the steady-state Onsager–Stefan–Maxwell (OSM) equations to compressible Stokes flow. These equations describe multicomponent flow at low Reynolds number, where a mixture of different chemical species within a common thermodynamic phase is transported by convection and molecular diffusion. Developing a variational formulation for discretizing these equations is challenging: the formulation must balance physical relevance of the variables and boundary data, regularity assumptions, tractability of the analysis, enforcement of thermodynamic constraints, ease of discretization and extensibility to the transient, anisothermal and nonideal settings. To resolve these competing goals, we employ two augmentations: the first enforces the definition of mass-average velocity in the OSM equations, while its dual modifies the Stokes momentum equation to enforce symmetry. Remarkably, with these augmentations we achieve a Picard linearization of symmetric saddle point type, despite the equations not possessing a Lagrangian structure. Exploiting structure mandated by linear irreversible thermodynamics, we prove the inf-sup condition for this linearization, and identify finite element function spaces that automatically inherit well-posedness. We verify our error estimates with a numerical example, and illustrate the application of the method to nonideal fluids with a simulation of the microfluidic mixing of hydrocarbons.
March 2024
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16 Reads
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1 Citation
SIAM Journal on Scientific Computing
November 2023
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21 Reads
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4 Citations
SIAM Journal on Scientific Computing
November 2023
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53 Reads
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1 Citation
Deflation is an efficient numerical technique for identifying new branches of steady state solutions to nonlinear partial differential equations. Here, we demonstrate how to extend deflation to discover new periodic orbits in nonlinear dynamical lattices. We employ our extension to identify discrete breathers, which are generic exponentially localized, time-periodic solutions of such lattices. We compare different approaches to using deflation for periodic orbits, including ones based on Fourier decomposition of the solution, as well as ones based on the solution’s energy density profile. We demonstrate the ability of the method to obtain a wide variety of multibreather solutions without prior knowledge about their spatial profile.
August 2023
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135 Reads
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4 Citations
Physical Review Research
Liquid crystals can self-organize into a layered smectic phase. While the smectic layers are typically straight, forming a lamellar pattern in bulk, external confinement may drastically distort the layers due to the boundary conditions imposed on the orientational director field. Resolving this distortion leads to complex structures with topological defects. Here, we explore the configurations adopted by two-dimensional colloidal smectics made from nearly hard rod-like particles in complex confinements, characterized by a button-like structure with two internal boundaries (inclusions): a two-holed disk and a double annulus. The topology of the confinement generates new structures which we classify in reference to previous work as generalized laminar and generalized Shubnikov states. To explore these configurations, we combine particle-resolved experiments on colloidal rods with three complementary theoretical approaches: Monte Carlo simulation, first-principles density functional theory, and phenomenological Q-tensor modeling. This yields a consistent and comprehensive description of the structural details. In particular, we characterize a nontrivial tilt angle between the direction of the layers and symmetry axes of the confinement.
... where N i is the closure of the union of the elements adjacent to x i ; compare the multilevel version of R ⊕ in [8]. Let ψ h be the unique P 1 function with nodal values (R ⊕ ψ)(x i ). ...
July 2024
SIAM Journal on Scientific Computing
... Nonetheless, this explicit matrix assembly becomes a computational and storage disadvantage at high discretization orders, where one would prefer a matrixfree approach. To alleviate this, [10,11] have introduced basis-change strategies that substantially improve complexity for relaxation on the patch systems associated with high-order discretization of spaces within the de Rham complex. However, these approaches have not yet been extended to the triangular patches considered here, and applying these methods to coupled problems remains unexplored, highlighting an interesting area for future research. ...
May 2024
SIAM Journal on Scientific Computing
... 8.4]. More significantly, symmetric stress tensors are often crucial coupling variables between different subproblems in multiphysics, such as the Kirchhoff stress for electrical propagation in hyperelastic models of biomechanics [16], the Cauchy stress for thermomechanical coupling in viscoelasticity [34], or the viscous stress in multicomponent convection-diffusion [10]. ...
April 2024
IMA Journal of Numerical Analysis
... In the context of the topology optimization of Stokes flow [9], the issue of approximating multiple minimizers with the finite element method was recently resolved [25][26][27][28]. It was shown that, for every isolated minimizer of the problem, there exists a sequence of finite element solutions to the first-order optimality conditions that strongly converges to the infinite-dimensional minimizer as the mesh size tends to zero. ...
November 2023
SIAM Journal on Scientific Computing
... Similarly, researchers have recently started exploring smectic defects from a microscopic viewpoint. Using simulations and experiments, colloidal smectics have been confined within various geometries, such as rectangles (38,60,61), hexagons (44), circles (62)(63)(64), and annuli (64)(65)(66), establishing a correlation between the confining geometry and the types of defects formed. The defects were found to adhere to global, topological constraints (44,46,64,66). ...
August 2023
Physical Review Research
... Recently, methods that aim at preserving multiple structures in the mixed finite element setting become increasingly popular. See, for example, the work of Hu et al. for incompressible MHD that preserves cross-and magnetic-helicity, energy and Gauss law of magnetism [5], the work of Gawlik and Gay-Balmaz for incompressible MHD of a variable fluid density that preserves energy, cross-helicity (when the fluid density is constant) and magnetic-helicity, mass, total squared density, pointwise incompressibility, and Gauss's law for magnetism [15], the work of Laakmann et al. [16] and references therein. These methods preserve several physical quantities of interest, but usually are less computationally efficient because of their large (nonlinear) discrete systems to be solved. ...
August 2023
Journal of Computational Physics
... (K; V) := u ∈ L 2 (K; V) : (u, r) Ω = 0 ∀ r ∈ RM .[1] The Hu-Zhang elements are Piola-inequivalent, so that implementation of their bases in Firedrake required special transformations after mapping from the reference cell[9]. Code, scripts, and exact software versions will be provided for reproducibility upon acceptance. ...
July 2023
SMAI Journal of Computational Mathematics
... In the aerospace industry, many types of dynamical system solutions have been considered and applied in design optimization. This includes equilibrium point [3,4], bifurcation [5,6,7,8,9], limit cycle oscillation [10,11,12,13,14,15], and chaotic systems [16,17], but these address a broad range of problems encountered in aircraft design. Much of the previous research focused on the optimization of a dynamical system operating at an equilibrium point. ...
June 2023
SIAM Journal on Scientific Computing
... In contrast, there has been significant work on the development of block-structured preconditioners [8,9,10] and monolithic multigrid algorithms for numerical solution of low-order discretizations of the Stokes, Navier-Stokes, and related equations. Monolithic multigrid methods have been considered with several families of relaxation scheme, including Vanka [11,12,13,14], Braess-Sarazin [15,16], Uzawa [17,18,19,20] and distributive [21,22,23,24] relaxation schemes. Many of these works have focused on extremely low-order discretizations, such as the marker-and-cell discretization or lowest-order Taylor-Hood discretizations. ...
April 2023
Journal of Computational Physics
... Regarding the well-posedness of the equations, there are different types of literature results: nonlinear friction boundary conditions [2], an implicitly given viscosity [3] with a differentiable shear-thinning term, or a differentiable shear-thinning term with Dirichlet boundary conditions, [4]. One recent publication with more general boundary conditions than we consider in two dimensions uses Newton's method in a finite-dimensional setting, see [5]. However, we need a combination of a differentiable, explicitly given shear-thinning viscosity, and nonlinear friction boundary conditions. ...
January 2023
SIAM Journal on Numerical Analysis