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Anna-Karin Tornberg

Publications and source records attributed to Anna-Karin Tornberg.

At least 19 recordsLinked to original sources

Tolerance-driven close evaluation of the Stokes double layer potential on axisymmetric surfaces

We consider boundary integral methods for Stokes mobility and resistance problems involving smooth axisymmetric particles. A primary numerical challenge is the accurate and efficient evaluation of layer potentials at off-surface points close to particle surfaces. We present a tolerance-driven workflow for evaluating the Stokes double layer potential at such evaluation points (targets) to prescribed accuracy while avoiding unnecessary computational cost. For each target--particle interaction, a fast classifier selects the least costly option estimated to meet the tolerance among standard, upsampled, and special quadrature. Geometry-dependent unit-density error indicators are precomputed and tabulated in reduced cylindrical coordinates, then combined on the fly with a local layer-density modifier, making its cost negligible relative to evaluating the potential. Targets requiring special quadrature are treated using a stabilized version of singularity swap surface quadrature: the periodic azimuthal integral is evaluated first using translated singularity swap quadrature to prevent severe cancellation near the surface, followed by adaptive Gauss--Legendre quadrature in the polar direction guided by error indicators. We integrate this workflow into a boundary integral solver with precomputed quadrature by expansion for on-surface self-interactions and demonstrate the workflow's performance for challenging configurations of spheroidal particles. Numerical results show that target classification is highly accurate. The prescribed tolerance is met for nearly all target--particle interactions and the error remains within a modest factor of the tolerance in the few remaining cases. Although the experiments focus on the Stokes double layer potential for spheroids, the off-surface framework applies to general smooth axisymmetric surfaces and can be easily adapted to other Stokes layer potentials.

math.NA↗

Adaptive singularity swap quadrature for near-singular layer potentials on axisymmetric surfaces

When numerically evaluating layer potentials at target points close to the domain boundary, specialized quadrature techniques are required for accuracy because of rapid variations in the integrand. To efficiently achieve a prescribed error tolerance, we introduce an adaptive quadrature method for smooth axisymmetric surfaces in which all algorithmic choices are determined automatically from the requested error tolerance. Standard quadrature is used wherever it is sufficient, while a specialized near-quadrature correction is applied only for those target points where additional accuracy is required. This correction combines singularity swap quadrature in the azimuthal direction with adaptive refinement in the polar direction; on the resulting refined polar grid, either standard quadrature or singularity swap quadrature is used depending on the predicted quadrature error. The method is coupled to a standard quadrature based on the trapezoidal rule in the azimuthal direction and Gauss--Legendre quadrature in the polar direction, and is activated only when that rule is predicted to be insufficient. Quadrature and interpolation error predictors are derived using complex analysis and are used to control both activation and refinement. While each surface is assumed to be axisymmetric, the layer density and the overall geometry need not be, allowing applications to configurations with multiple smooth axisymmetric bodies and patchwise discretizations. Numerical examples for Laplace, Helmholtz, and Stokes layer potentials demonstrate reliable error control across a range of geometries, including multi-body configurations.

math.NA↗

Fast unified evaluation of layer and volume potentials for the 2D modified Helmholtz equation

We present a fast and accurate potential theory-based method for the two-dimensional modified Helmholtz equation, treating the involved singular and nearly singular layer evaluations together with volume potentials within a single computational framework. The method is based on a decomposition of the free-space Green's function into a short-range local part and a smooth long-range part. The long-range contribution is evaluated efficiently using the non-uniform fast Fourier transform (NUFFT), while the local contribution is treated by asymptotic expansions. For the layer potentials, an intermediate telescoping sum over dyadic refinement levels is added, where the resulting difference kernels are smooth and rapidly decaying, allowing the dyadic levels to be evaluated without specialized quadrature rules. The volume potential is evaluated on triangular cut-cell meshes, where the mesh only enters the scheme as quadrature rule for smooth data. This makes the method robust with respect to small and distorted mesh cells, without the need for stabilization or cell-merging techniques. Numerical experiments demonstrate the expected convergence rates, high throughput of the potential evaluations, and robustness with respect to mesh quality.

math.NA↗

Fast summation on rectangular cuboids with arbitrary periodicity in the DMK framework

Dual-space multilevel kernel-splitting (DMK) is a fast summation framework that combines ideas from the fast multipole method, Ewald summation, and multilevel summation. Originally formulated for free-space problems, and later extended to fully periodic problems on a cube, it decomposes the kernel interaction into a smooth global contribution and a hierarchy of localized interactions evaluated on an octree. We extend DMK to problems on rectangular cuboids with periodic boundary conditions in one, two, or three coordinate directions. The periodization leverages the fact that interactions on all tree levels below the root are localized, allowing for their evaluation with minimal modification on a cubical tiling of the domain. The remaining smooth root-level far-field contribution is evaluated in Fourier space, with Fourier series in the periodic directions and Fourier integrals in the free directions. For reduced periodicity, truncated kernels are used to regularize singular and near-singular Fourier kernels, yielding rapidly convergent trapezoidal discretizations and a unified treatment of all periodicities. For large-aspect-ratio cuboids, the root-level sum can be accelerated using the fast Fourier transform. We validate the method for the electrostatic potential and Stokeslet, stresslet and rotlet potentials, for all periodicities and a wide range of aspect ratios. Numerical experiments show that the periodization adds only a small overhead to the original free-space DMK algorithm, also for high-aspect-ratio cuboids. The resulting method provides a framework for applying DMK to problems with mixed periodicity on rectangular cuboids, and extends naturally to other non-oscillatory kernels for which a kernel split is available.

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Preconditioning for near-contacts in large 2D Stokes flows: a locally compressed method of fundamental solutions

We tackle two key difficulties in the simulation of the viscous hydrodynamics of a large dense collection of rigid particles: (i) the poor convergence rate of an iterative solution of the discretized linear system as particle gaps shrink, and (ii) the large number of unknowns needed to accurately discretize the resulting lubrication-driven flows. Our focus is the 2D Stokes resistance and mobility boundary value problems for nearly-touching disks. To address both challenges, we introduce a general two-body preconditioning strategy, and implement it with the method of fundamental solutions. For each close particle pair, the hard-to-resolve interaction is represented in a basis precomputed by solving a local boundary value problem on a fine grid. In an iterative solve, the resulting flow field corrects that obtained from a coarse representation of all particles. The local fine-grid correction can even be compressed so that all particles except the pair itself are affected by an equivalent set of coarse sources. Numerical experiments demonstrate rapid GMRES convergence in challenging multi-particle settings, with iteration counts remaining low even in densely packed suspensions. For example, the mobility problem is solved for a random close packing with area fraction $φ= 0.65$, $P = 10000$ monodisperse disks, and minimum separation $10^{-3}$, in just 47 GMRES iterations, achieving five digits of accuracy with 72 vector unknowns per body.

math.NA↗

Stabilizing the singularity swap quadrature for near-singular line integrals

Singularity swap quadrature (SSQ) is an effective method for the evaluation at nearby targets of potentials due to densities on curves in three dimensions. While highly accurate in most settings, it is known to suffer from catastrophic cancellation when the kernel exhibits both near-vanishing numerators and strong singularities, as arises with scalar double layer potentials or tensorial kernels in Stokes flow or linear elasticity. This precision loss turns out to be tied to the interpolation basis, namely monomial (for open curves) or Fourier (for closed curves). We introduce a simple yet powerful remedy: target-specific translated monomial and Fourier bases that explicitly incorporate the near-vanishing behavior of the kernel numerator. We combine this with a stable evaluation of the constant term which now dominates the integral, significantly reducing cancellation. We show that our approach achieves close to machine precision for prototype integrals, and up to ten orders of magnitude lower error than standard SSQ at extremely close evaluation distances, without significant additional computational cost.

math.NA↗

Fast Ewald Summation using Prolate Spheroidal Wave Functions

Fast Ewald summation efficiently evaluates Coulomb interactions and is widely used in molecular dynamics simulations. It is based on a split into a short-range and a long-range part, where evaluation of the latter is accelerated using the fast Fourier transform (FFT). The accuracy and computational cost depend critically on the mollifier in the kernel split and the window function used in the spreading and interpolation steps that enable the use of the FFT. The first prolate spheroidal wavefunction (PSWF) has optimal concentration in real and Fourier space simultaneously, and is used when defining both a mollifier and a window function. We provide a complete description of the method and derive rigorous error estimates. In addition, we obtain closed-form approximations of the Fourier truncation and aliasing errors, yielding explicit parameter choices for the achieved error to closely match the prescribed tolerance. Numerical experiments confirm the analysis: PSWF-based Ewald summation achieves a given accuracy with significantly fewer Fourier modes and smaller window supports than Gaussian- and B-spline-based approaches, providing a superior alternative to existing Ewald methods for particle simulations.

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Fast summation of Stokes potentials using a new kernel-splitting in the DMK framework

Classical Ewald methods for Coulomb and Stokes interactions rely on ``kernel-splitting," using decompositions based on Gaussians to divide the resulting potential into a near field and a far field component. Here, we show that a more efficient splitting for the scalar biharmonic Green's function can be derived using zeroth-order prolate spheroidal wave functions (PSWFs), which in turn yields new efficient splittings for the Stokeslet, stresslet, and elastic kernels, since these Green's tensors can all be derived from the biharmonic kernel. This benefits all fast summation methods based on kernel splitting, including FFT-based Ewald summation methods, that are suitable for uniform point distributions, and DMK-based methods that allow for nonuniform point distributions. The DMK (dual-space multilevel kernel-splitting) algorithm we develop here is fast, adaptive, and linear-scaling, both in free space and in a periodic cube. We demonstrate its performance with numerical examples in two and three dimensions.

math.NA↗

A Method of Fundamental Solutions for Large-Scale 3D Elastance and Mobility Problems

The method of fundamental solutions (MFS) is known to be effective for solving 3D Laplace and Stokes Dirichlet boundary value problems in the exterior of a large collection of simple smooth objects. Here we present new scalable MFS formulations for the corresponding elastance and mobility problems. The elastance problem computes the potentials of conductors with given net charges, while the mobility problem -- crucial to rheology and complex fluid applications -- computes rigid body velocities given net forces and torques on the particles. The key idea is orthogonal projection of the net charge (or forces and torques) in a rectangular variant of a "completion flow". The proposal is compatible with one-body preconditioning, resulting in well-conditioned square linear systems amenable to fast multipole accelerated iterative solution, thus a cost linear in the particle number. For large suspensions with moderate lubrication forces, MFS sources on inner proxy-surfaces give accuracy on par with a well-resolved boundary integral formulation. Our several numerical tests include a suspension of 10000 nearby ellipsoids, using 26 million total preconditioned degrees of freedom, where GMRES converges to five digits of accuracy in under two hours on one workstation.

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Deep Micro Solvers for Rough-Wall Stokes Flow in a Heterogeneous Multiscale Method

We propose a learned precomputation for the heterogeneous multiscale method (HMM) for rough-wall Stokes flow. A Fourier neural operator is used to approximate local averages over microscopic subsets of the flow, which allows to compute an effective slip length of the fluid away from the roughness. The network is designed to map from the local wall geometry to the Riesz representors for the corresponding local flow averages. With such a parameterisation, the network only depends on the local wall geometry and as such can be trained independent of boundary conditions. We perform a detailed theoretical analysis of the statistical error propagation, and prove that under suitable regularity and scaling assumptions, a bounded training loss leads to a bounded error in the resulting macroscopic flow. We then demonstrate on a family of test problems that the learned precomputation performs stably with respect to the scale of the roughness. The accuracy in the HMM solution for the macroscopic flow is comparable to when the local (micro) problems are solved using a classical approach, while the computational cost of solving the micro problems is significantly reduced.

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Accurate close interactions of Stokes spheres using lubrication-adapted image systems

Stokes flows with near-touching rigid particles induce near-singular lubrication forces under relative motion, making their accurate numerical treatment challenging. With the aim of controlling the accuracy with a computationally cheap method, we present a new technique that combines the method of fundamental solutions (MFS) with the method of images. For rigid spheres, we propose to represent the flow using Stokeslet proxy sources on interior spheres, augmented by lines of image sources adapted to each near-contact to resolve lubrication. Source strengths are found by a least-squares solve at contact-adapted boundary collocation nodes. We include extensive numerical tests, and validate against reference solutions from a well-resolved boundary integral formulation. With less than 60 additional image sources per particle per contact, we show controlled uniform accuracy to three relative digits in surface velocities, and up to five digits in particle forces and torques, for all separations down to a thousandth of the radius. In the special case of flows around fixed particles, the proxy sphere alone gives controlled accuracy. A one-body preconditioning strategy allows acceleration with the fast multipole method, hence close to linear scaling in the number of particles. This is demonstrated by solving problems of up to 2000 spheres on a workstation using only 700 proxy sources per particle.

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Estimation of quadrature errors for layer potentials evaluated near surfaces with spherical topology

Numerical simulations with rigid particles, drops or vesicles constitute some examples that involve 3D objects with spherical topology. When the numerical method is based on boundary integral equations, the error in using a regular quadrature rule to approximate the layer potentials that appear in the formulation will increase rapidly as the evaluation point approaches the surface and the integrand becomes sharply peaked. To determine when the accuracy becomes insufficient, and a more costly special quadrature method should be used, error estimates are needed. In this paper we present quadrature error estimates for layer potentials evaluated near surfaces of genus 0, parametrized using a polar and an azimuthal angle, discretized by a combination of the Gauss-Legendre and the trapezoidal quadrature rules. The error estimates involve no unknown coefficients, but complex valued roots of a specified distance function. The evaluation of the error estimates in general requires a one dimensional local root-finding procedure, but for specific geometries we obtain analytical results. Based on these explicit solutions, we derive simplified error estimates for layer potentials evaluated near spheres; these simple formulas depend only on the distance from the surface, the radius of the sphere and the number of discretization points. The usefulness of these error estimates is illustrated with numerical examples.

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A Barrier Method for Contact Avoiding Particles in Stokes Flow

Rigid particles in a Stokesian fluid can physically not overlap, as a thin layer of fluid always separates a particle pair, exerting increasingly strong repulsive forces on the bodies for decreasing separations. Numerically, resolving these lubrication forces comes at an intractably large cost even for moderate system sizes. Hence, it can typically not be guaranteed that particle collisions and overlaps do not occur in a dynamic simulation, independently of the choice of method to solve the Stokes equations. In this work, non-overlap constraints, in terms of the Euclidean distance between boundary points on the particles, are represented via a barrier energy. We solve for the minimum magnitudes of repelling contact forces between any particle pair in contact to correct for overlaps by enforcing a zero barrier energy at the next time level, given a contact-free configuration at a previous instance in time. The method is tested using a multiblob method to solve the mobility problem in Stokes flow applied to suspensions of spheres, rods and boomerang shaped particles. Collision free configurations are obtained at all instances in time. The effect of the contact forces on the collective order of a set of rods in a background flow that naturally promote particle interactions is also illustrated.

physics.flu-dyn↗

Fast Ewald summation for Stokes flow with arbitrary periodicity

A fast and spectrally accurate Ewald summation method for the evaluation of stokeslet, stresslet and rotlet potentials of three-dimensional Stokes flow is presented. This work extends the previously developed Spectral Ewald method for Stokes flow to periodic boundary conditions in any number (three, two, one, or none) of the spatial directions, in a unified framework. The periodic potential is split into a short-range and a long-range part, where the latter is treated in Fourier space using the fast Fourier transform. A crucial component of the method is the modified kernels used to treat singular integration. We derive new modified kernels, and new improved truncation error estimates for the stokeslet and stresslet. An automated procedure for selecting parameters based on a given error tolerance is designed and tested. Analytical formulas for validation in the doubly and singly periodic cases are presented. We show that the computational time of the method scales like O(N log N) for N sources and targets, and investigate how the time depends on the error tolerance and window function, i.e. the function used to smoothly spread irregular point data to a uniform grid. The method is fastest in the fully periodic case, while the run time in the free-space case is around three times as large. Furthermore, the highest efficiency is reached when applying the method to a uniform source distribution in a primary cell with low aspect ratio. The work presented in this paper enables efficient and accurate simulations of three-dimensional Stokes flow with arbitrary periodicity using e.g. boundary integral and potential methods.

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A Locally Corrected Multiblob Method with Hydrodynamically Matched Grids for the Stokes Mobility Problem

Inexpensive numerical methods are key to enable simulations of systems of a large number of particles of different shapes in Stokes flow. Several approximate methods have been introduced for this purpose. We study the accuracy of the multiblob method for solving the Stokes mobility problem in free space, where the 3D geometry of a particle surface is discretised with spherical blobs and the pair-wise interaction between blobs is described by the RPY-tensor. The paper aims to investigate and improve on the magnitude of the error in the solution velocities of the Stokes mobility problem using a combination of two different techniques: an optimally chosen grid of blobs and a pair-correction inspired by Stokesian dynamics. Optimisation strategies to determine a grid with a certain number of blobs are presented with the aim of matching the hydrodynamic response of a single accurately described ideal particle, alone in the fluid. Small errors in this self-interaction are essential as they determine the basic error level in a system of well-separated particles. With a good match, reasonable accuracy can be obtained even with coarse blob-resolutions of the particle surfaces. The error in the self-interaction is however sensitive to the exact choice of grid parameters and simply hand-picking a suitable blob geometry can lead to errors several orders of magnitude larger in size. The pair-correction is local and cheap to apply, and reduces on the error for more closely interacting particles. Two different types of geometries are considered: spheres and axisymmetric rods with smooth caps. The error in solutions to mobility problems is quantified for particles of varying inter-particle distances for systems containing a few particles, comparing to an accurate solution based on a second kind BIE-formulation where the quadrature error is controlled by employing quadrature by expansion (QBX).

physics.flu-dyn↗

An integral equation method for the advection-diffusion equation on time-dependent domains in the plane

Boundary integral methods are attractive for solving homogeneous linear constant coefficient elliptic partial differential equations on complex geometries, since they can offer accurate solutions with a computational cost that is linear or close to linear in the number of discretization points on the boundary of the domain. However, these numerical methods are not straightforward to apply to time-dependent equations, which often arise in science and engineering. We address this problem with an integral equation-based solver for the advection-diffusion equation on moving and deforming geometries in two space dimensions. In this method, an adaptive high-order accurate time-stepping scheme based on semi-implicit spectral deferred correction is applied. One time-step then involves solving a sequence of non-homogeneous modified Helmholtz equations, a method known as elliptic marching. Our solution methodology utilizes several recently developed methods, including special purpose quadrature, a function extension technique and a spectral Ewald method for the modified Helmholtz kernel. Special care is also taken to handle the time-dependent geometries. The numerical method is tested through several numerical examples to demonstrate robustness, flexibility and accuracy

math.NA↗

An adaptive kernel-split quadrature method for parameter-dependent layer potentials

Panel-based, kernel-split quadrature is currently one of the most efficient methods available for accurate evaluation of singular and nearly singular layer potentials in two dimensions. However, it can fail completely for the layer potentials belonging to the modified Helmholtz, biharmonic and Stokes equations. These equations depend on a parameter, denoted $α$, and kernel-split quadrature loses its accuracy rapidly when this parameter grows beyond a certain threshold. This paper describes an algorithm that remedies this problem, using per-target adaptive sampling of the source geometry. The refinement is carried out through recursive bisection, with a carefully selected rule set. This maintains accuracy for a wide range of the parameter $α$, at an increased cost that scales as $\logα$. Using this algorithm allows kernel-split quadrature to be both accurate and efficient for a much wider range of problems than previously possible.

math.NA↗

Quadrature error estimates for layer potentials evaluated near curved surfaces in three dimensions

The quadrature error associated with a regular quadrature rule for evaluation of a layer potential increases rapidly when the evaluation point approaches the surface and the integral becomes nearly singular. Error estimates are needed to determine when the accuracy is insufficient and a more costly special quadrature method should be utilized. The final result of this paper are such quadrature error estimates for the composite Gauss-Legendre rule and the global trapezoidal rule, when applied to evaluate layer potentials defined over smooth curved surfaces in R^3. The estimates have no unknown coefficients and can be efficiently evaluated given the discretization of the surface, invoking a local one-dimensional root-finding procedure. They are derived starting with integrals over curves, using complex analysis involving contour integrals, residue calculus and branch cuts. By complexifying the parameter plane, the theory can be used to derive estimates also for curves in in R^3. These results are then used in the derivation of the estimates for integrals over surfaces. In this procedure, we also obtain error estimates for layer potentials evaluated over curves in R^2. Such estimates combined with a local root-finding procedure for their evaluation were earlier derived for the composite Gauss-Legendre rule for layer potentials written on complex form [4]. This is here extended to provide quadrature error estimates for both complex and real formulations of layer potentials, both for the Gauss-Legendre and the trapezoidal rule. Numerical examples are given to illustrate the performance of the quadrature error estimates. The estimates for integration over curves are in many cases remarkably precise, and the estimates for curved surfaces in R^3 are also sufficiently precise, with sufficiently low computational cost, to be practically useful.

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