arXiv subjects

Anna-Karin Tornberg

Publications and source records attributed to Anna-Karin Tornberg.

At least 37 records · Page 2Linked to original sources

arXiv2021

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, modified biharmonic and modified 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 $\log α$. 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↗

arXiv2021

Parabolic velocity profile causes drift of inertial prolate spheroids -- but gravity is stronger

Motion of elongated particles in shear is studied. In applications where particles are much heavier than the carrying fluid, e.g. aerosols, the influence of particle inertia dominates the particle dynamics. Assuming that the particle only experiences a local linear velocity profile, its rotational and translational motion are independent. However, we show that quadratic terms of the local velocity profile combined with particle inertia cause a lateral drift of prolate spheroidal particles. We find that this drift is maximal when particle inertial forces are of the same order of magnitude as viscous forces, and that both extremely light and extremely heavy particles have negligible drift. In the non-inertial case, the particle rotates according to the local linear velocity profile, with each instantaneous orientation corresponding to a velocity that gives zero force on the particle. This results in a translational motion in the flow direction with periodic velocity fluctuations. With added particle inertia, the particle is slow to react to the surrounding fluid motion and the particle will switch between slower and faster rotation compared to the zero-force solution. The final motion that gives zero integrated force over a rotational period, is a motion with a lateral drift. We show that this drift is purely an effect of the non-sphericity of the particle and its translational inertia, while rotational inertia is negligible. Finally, although this inertial drift will contribute to the lateral motion of heavy elongated particles in channel flow, sedimentation due to gravity will dominate in any practical application on earth.

physics.flu-dyn↗

arXiv2021

Fast Ewald summation for electrostatic potentials with arbitrary periodicity

A unified treatment for fast and spectrally accurate evaluation of electrostatic potentials subject to periodic boundary conditions in any or none of the three spatial dimensions is presented. Ewald decomposition is used to split the problem into a real-space and a Fourier-space part, and the FFT-based Spectral Ewald (SE) method is used to accelerate the computation of the latter. A key component in the unified treatment is an FFT-based solution technique for the free-space Poisson problem in three, two or one dimensions, depending on the number of non-periodic directions. The computational cost is furthermore reduced by employing an adaptive FFT for the doubly and singly periodic cases, allowing for different local upsampling factors. The SE method will always be most efficient for the triply periodic case as the cost of computing FFTs will then be the smallest, whereas the computational cost of the rest of the algorithm is essentially independent of periodicity. We show that the cost of removing periodic boundary conditions from one or two directions out of three will only moderately increase the total runtime. Our comparisons also show that the computational cost of the SE method in the free-space case is around four times that of the triply periodic case. The Gaussian window function previously used in the SE method, is here compared to a piecewise polynomial approximation of the Kaiser-Bessel window function. With a carefully tuned shape parameter that is selected based on an error estimate for this new window function, runtimes for the SE method can be further reduced. Furthermore, we consider different methods for computing the force, and compare the runtime of the SE method with that of the Fast Multipole Method.

math.NA↗

arXiv2020

Accurate evaluation of integrals in slender-body formulations for fibers in viscous flow

A non-local slender body approximation for slender flexible fibers in Stokes flow can be derived, yielding an integral equation along the center lines of the fibers that involves a slenderness parameter. The formulation contains a so-called finite part singular integral, and can in the case of several fibers or evaluation of the flow field require the evaluation of nearly singular integrals. We introduce a numerical technique to accurately and efficiently evaluate the finite part integral. This technique can be applied combined with any panel based quadrature rule and will add no additional cost except for a small precomputation of modified quadrature weights. We also show how a related technique that was recently introduced can be applied for the evaluation of the nearly singular integrals.

math.NA↗

arXiv2020

Highly accurate special quadrature methods for Stokesian particle suspensions in confined geometries

Boundary integral methods are highly suited for problems with complicated geometries, but require special quadrature methods to accurately compute the singular and nearly singular layer potentials that appear in them. This paper presents a boundary integral method that can be used to study the motion of rigid particles in three-dimensional periodic Stokes flow with confining walls. A centrepiece of our method is the highly accurate special quadrature method, which is based on a combination of upsampled quadrature and quadrature by expansion (QBX), accelerated using a precomputation scheme. The method is demonstrated for rodlike and spheroidal particles, with the confining geometry given by a pipe or a pair of flat walls. A parameter selection strategy for the special quadrature method is presented and tested. Periodic interactions are computed using the Spectral Ewald (SE) fast summation method, which allows our method to run in O(n log n) time for n grid points, assuming the number of geometrical objects grows while the grid point concentration is kept fixed.

math.NA↗

arXiv2020

An accurate integral equation method for Stokes flow with piecewise smooth boundaries

Two-dimensional Stokes flow through a periodic channel is considered. The channel walls need only be Lipschitz continuous, in other words they are allowed to have corners. Boundary integral methods are an attractive tool for numerically solving the Stokes equations, as the partial differential equation can be reformulated into an integral equation that must be solved only over the boundary of the domain. When the boundary is at least C 1 smooth, the boundary integral kernel is a compact operator, and traditional Nyström methods can be used to obtain highly accurate solutions. In the case of Lipschitz continuous boundaries, however, obtaining accurate solutions using the standard Nyström method can require high resolution. We adapt a technique known as recursively compressed inverse preconditioning to accurately solve the Stokes equations without requiring any more resolution than is needed to resolve the boundary. Combined with a periodic fast summation method we construct a method that is O(N log N ) where N is the number of quadrature points on the boundary. We demonstrate the robustness of this method by extending an existing boundary integral method for viscous drops to handle the movement of drops near corners.

math.NA↗

arXiv2020

An integral equation method for closely interacting surfactant-covered droplets in wall-confined Stokes flow

A highly accurate method for simulating surfactant-covered droplets in two-dimensional Stokes flow with solid boundaries is presented. The method handles both periodic channel flows of arbitrary shape and stationary solid constrictions. A boundary integral method together with a special quadrature scheme is applied to solve the Stokes equations to high accuracy, also for closely interacting droplets. The problem is considered in a periodic setting and Ewald decompositions for the Stokeslet and stresslet are derived. Computations are accelerated using the spectral Ewald method. The time evolution is handled with a fourth order, adaptive, implicit-explicit time-stepping scheme. The numerical method is tested through several convergence studies and other challenging examples and is shown to handle drops in close proximity both to other drops and solid objects to high accuracy.

math.NA↗

arXiv2019

Spectrally accurate Ewald summation for the Yukawa potential in two dimensions

An Ewald decomposition of the two-dimensional Yukawa potential and its derivative is presented for both the periodic and the free-space case. These modified Bessel functions of the second kind of zeroth and first degrees are used e.g. when solving the modified Helmholtz equation using a boundary integral method. The spectral Ewald method is used to compute arising sums at O(N log N) cost for N source and target points. To facilitate parameter selection, truncation-error estimates are developed for both the real-space sum and the Fourier-space sum, and are shown to estimate the errors well.

cs.CE↗

arXiv2019

An integral equation based numerical method for the forced heat equation on complex domains

Integral equation based numerical methods are directly applicable to homogeneous elliptic PDEs, and offer the ability to solve these with high accuracy and speed on complex domains. In this paper, extensions to problems with inhomogeneous source terms and time dependent PDEs, such as the heat equation, have been introduced. One such approach for the heat equation is to first discretise in time, and in each time-step solve a so-called modified Helmholtz equation with a parameter depending on the time step size. The modified Helmholtz equation is then split into two parts: a homogeneous part solved with a boundary integral method and a particular part, where the solution is obtained by evaluating a volume potential over the inhomogeneous source term over a simple domain. In this work, we introduce two components which are critical for the success of this approach: a method to efficiently compute a high-regularity extension of a function outside the domain where it is defined, and a special quadrature method to accurately evaluate singular and nearly singular integrals in the integral formulation of the modified Helmholtz equation for all time step sizes.

math.NA↗

arXiv2019

A 3D boundary integral method for the electrohydrodynamics of surfactant-covered drops

We present a highly accurate numerical method based on a boundary integral formulation and the leaky dielectric model to study the dynamics of surfactant-covered drops in the presence of an applied electric field. The method can simulate interacting 3D drops (no axisymmetric simplification) in close proximity, can consider different viscosities, is adaptive in time and able to handle substantial drop deformation. For each drop global representations of the variables based on spherical harmonics expansions are used and the spectral accuracy is achieved by designing specific numerical tools: a specialized quadrature method for the singular and nearly singular integrals that appear in the formulation, a general preconditioner for the implicit treatment of the surfactant diffusion and a reparametrization procedure able to ensure a high-quality representation of the drops also under deformation. Our numerical method is validated against theoretical, numerical and experimental results available in the literature, as well as a new second-order theory developed for a surfactant-laden drop placed in a quadrupole electric field.

math.NA↗

arXiv2018

Simulation and validation of surfactant-laden drops in two-dimensional Stokes flow

Performing highly accurate simulations of droplet systems is a challenging problem. This is primarily due to the interface dynamics which is complicated further by the addition of surfactants. This paper presents a boundary integral method for computing the evolution of surfactant-covered droplets in 2D Stokes flow. The method has spectral accuracy in space and the adaptive time-stepping scheme allows for control of the temporal errors. Previously available semi-analytical solutions (based on conformal-mapping techniques) are extended to include surfactants, and a set of algorithms is introduced to detail their evaluation. These semi-analytical solutions are used to validate and assess the accuracy of the boundary integral method, and it is demonstrated that the presented method maintains its high accuracy even when droplets are in close proximity.

math.NA↗

arXiv2018

A local target specific quadrature by expansion method for evaluation of layer potentials in 3D

Accurate evaluation of layer potentials is crucial when boundary integral equation methods are used to solve partial differential equations. Quadrature by expansion (QBX) is a recently introduced method that can offer high accuracy for singular and nearly singular integrals, using truncated expansions to locally represent the potential. The QBX method is typically based on a spherical harmonics expansion which when truncated at order $p$ has $O(p^2)$ terms. This expansion can equivalently be written with $p$ terms, however paying the price that the expansion coefficients will depend on the evaluation/target point. Based on this observation, we develop a target specific QBX method, and apply it to Laplace's equation on multiply connected domains. The method is local in that the QBX expansions only involve information from a neighborhood of the target point. An analysis of the truncation error in the QBX expansions is presented, practical parameter choices are discussed and the method is validated and tested on various problems.

math.NA↗

arXiv2018

Fast Ewald summation for Green's functions of Stokes flow in a half-space

Recently, Gimbutas et al derived an elegant representation for the Green's functions of Stokes flow in a half-space. We present a fast summation method for sums involving these half-space Green's functions (stokeslets, stresslets and rotlets) that consolidates and builds on the work by Klinteberg et al for the corresponding free-space Green's functions. The fast method is based on two main ingredients: The Ewald decomposition and subsequent use of FFTs. The Ewald decomposition recasts the sum into a sum of two exponentially decaying series: one in real-space (short-range interactions) and one in Fourier-space (long-range interactions) with the convergence of each series controlled by a common parameter. The evaluation of short-range interactions is accelerated by restricting computations to neighbours within a specified distance, while the use of FFTs accelerates the computations in Fourier-space thus accelerating the overall sum. We demonstrate that while the method incurs extra costs for the half-space in comparison to the free-space evaluation, greater computational savings is also achieved when compared to their respective direct sums.

math.NA↗

arXiv2018

Adaptive quadrature by expansion for layer potential evaluation in two dimensions

When solving partial differential equations using boundary integral equation methods, accurate evaluation of singular and nearly singular integrals in layer potentials is crucial. A recent scheme for this is quadrature by expansion (QBX), which solves the problem by locally approximating the potential using a local expansion centered at some distance from the source boundary. In this paper we introduce an extension of the QBX scheme in 2D denoted AQBX - adaptive quadrature by expansion - which combines QBX with an algorithm for automated selection of parameters, based on a target error tolerance. A key component in this algorithm is the ability to accurately estimate the numerical errors in the coefficients of the expansion. Combining previous results for flat panels with a procedure for taking the panel shape into account, we derive such error estimates for arbitrarily shaped boundaries in 2D that are discretized using panel-based Gauss-Legendre quadrature. Applying our scheme to numerical solutions of Dirichlet problems for the Laplace and Helmholtz equations, and also for solving these equations, we find that the scheme is able to satisfy a given target tolerance to within an order of magnitude, making it useful for practical applications. This represents a significant simplification over the original QBX algorithm, in which choosing a good set of parameters can be hard.

math.NA↗

arXiv2017

Partition of Unity Extension of Functions on Complex Domains

We introduce an efficient algorithm, called partition of unity extension or PUX, to construct an extension of desired regularity of a function given on a complex multiply connected domain in $2D$. Function extension plays a fundamental role in extending the applicability of boundary integral methods to inhomogeneous partial differential equations with embedded domain techniques. Overlapping partitions are placed along the boundaries, and a local extension of the function is computed on each patch using smooth radial basis functions; a trivially parallel process. A partition of unity method blends the local extrapolations into a global one, where weight functions impose compact support. The regularity of the extended function can be controlled by the construction of the partition of unity function. We evaluate the performance of the PUX method in the context of solving the Poisson equation on multiply connected domains using a boundary integral method and a spectral solver. With a suitable choice of parameters the error converges as a tenth order method down to $10^{-14}$.

math.NA↗

arXiv2017

A comparison of the Spectral Ewald and Smooth Particle Mesh Ewald methods in GROMACS

The smooth particle mesh Ewald (SPME) method is an FFT based method for the fast evaluation of electrostatic interactions under periodic boundary conditions. A highly optimized implementation of this method is available in GROMACS, a widely used software for molecular dynamics simulations. In this article, we compare a more recent method from the same family of methods, the spectral Ewald (SE) method, to the SPME method in terms of performance and efficiency. We consider serial and parallel implementations of both methods for single and multiple core computations on a desktop machine as well as the Beskow supercomputer at KTH Royal Institute of Technology. The implementation of the SE method has been well optimized, however not yet comparable to the level of the SPME implementation that has been improved upon for many years. We show that the SE method is very efficient whenever used to achieve high accuracy and that it already at this level of optimization can be competitive for low accuracy demands.

math.NA↗

arXiv2017

A highly accurate boundary integral equation method for surfactant-laden drops in 3D

The presence of surfactants alters the dynamics of viscous drops immersed in an ambient viscous fluid. This is specifically true at small scales, such as in applications of droplet based microfluidics, where the interface dynamics become of increased importance. At such small scales, viscous forces dominate and inertial effects are often negligible. Considering Stokes flow, a numerical method based on a boundary integral formulation is presented for simulating 3D drops covered by an insoluble surfactant. The method is able to simulate drops with different viscosities and close interactions, automatically controlling the time step size and maintaining high accuracy also when substantial drop deformation appears. To achieve this, the drop surfaces as well as the surfactant concentration on each surface are represented by spherical harmonics expansions. A novel reparameterization method is introduced to ensure a high-quality representation of the drops also under deformation, specialized quadrature methods for singular and nearly singular integrals that appear in the formulation are evoked and the adaptive time stepping scheme for the coupled drop and surfactant evolution is designed with a preconditioned implicit treatment of the surfactant diffusion.

math.NA↗

arXiv2017

The Spectral Ewald method for singly periodic domains

We present a fast and spectrally accurate method for efficient computation of the three dimensional Coulomb potential with periodicity in one direction. The algorithm is FFT-based and uses the so-called Ewald decomposition, which is naturally most efficient for the triply periodic case. In this paper, we show how to extend the triply periodic Spectral Ewald method to the singly periodic case, such that the cost of computing the singly periodic potential is only marginally larger than the cost of computing the potential for the corresponding triply periodic system. In the Fourier space contribution of the Ewald decomposition, a Fourier series is obtained in the periodic direction with a Fourier integral over the non periodic directions for each discrete wave number. We show that upsampling to resolve the integral is only needed for modes with small wave numbers. For the zero wave number, this Fourier integral has a singularity. For this mode, we effectively need to solve a free-space Poisson equation in two dimensions. A very recent idea by Vico et al. makes it possible to use FFTs to solve this problem, allowing us to unify the treatment of all modes. An adaptive 3D FFT can be established to apply different upsampling rates locally. The computational cost for other parts of the algorithm is essentially unchanged as compared to the triply periodic case, in total yielding only a small increase in both computational cost and memory usage for this singly periodic case.

math.NA↗