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We derive and implement an alternative formulation of the Stochastic Lanczos algorithm to be employed in connection with the Many-Body Dispersion model (MBD). Indeed, this formulation, which is only possible due to the Stochastic Lanczos'…

Chemical Physics · Physics 2023-10-23 Pier P. Poier , Louis Lagardère , Jean-Philip Piquemal

A high-order quadrature scheme is constructed for the evaluation of Laplace single and double layer potentials and their normal derivatives on smooth surfaces in three dimensions. The construction begins with a harmonic approximation of the…

Numerical Analysis · Mathematics 2024-11-20 Shidong Jiang , Hai Zhu

We present a robust and scalable solver for direct-forcing immersed boundary simulations, based on a preconditioned SIMPLE algorithm. The method applies block elimination to the pressure-force coupled system, and utilizes the discrete…

Computational Physics · Physics 2026-02-17 Rachel Yovel , Eran Treister , Yuri Feldman

For scattering problems of time-harmonic waves, the boundary integral equation (BIE) methods are highly competitive, since they are formulated on lower-dimension boundaries or interfaces, and can automatically satisfy outgoing radiation…

Numerical Analysis · Mathematics 2018-04-24 Wangtao Lu , Ya Yan Lu , Jianliang Qian

A scheme for rapidly and accurately computing solutions to boundary integral equations (BIEs) on rotationally symmetric surfaces in three dimensions is presented. The scheme uses the Fourier transform to reduce the original BIE defined on a…

Numerical Analysis · Mathematics 2010-02-11 Patrick M. Young , Per-Gunnar Martinsson

Interfacial Stokes flow can be efficiently computed using the Boundary Integral Equation method. In 3D, the fluid velocity at a target point is given by a 2D surface integral over all interfaces, thus reducing the dimension of the problem.…

Numerical Analysis · Mathematics 2025-04-03 Monika Nitsche , Bowei Wu , Ling Xu

A method is proposed for evaluation of single and double layer potentials of the Laplace and Helmholtz equations on piecewise smooth manifold boundary elements with constant densities. The method is based on a novel two-term decomposition…

Numerical Analysis · Mathematics 2023-09-15 Shoken Kaneko , Ramani Duraiswami

We consider an efficient preconditioner for boundary integral equation (BIE) formulations of the two-dimensional Stokes equations in porous media. While BIEs are well-suited for resolving the complex porous geometry, they lead to a dense…

Numerical Analysis · Mathematics 2016-09-16 Pieter Coulier , Bryan Quaife , Eric Darve

Single-phase Stokes flow problems with prescribed boundary conditions can be formulated in terms of a boundary regularized integral equation that is completely free of singularities that exist in the traditional formulation. The usual…

Computational Physics · Physics 2019-02-11 Q. Sun , E. Klaseboer , B. C. Khoo , D. Y. C. Chan

This paper presents a new boundary integral equation (BIE) method for simulating particulate and multiphase flows through periodic channels of arbitrary smooth shape in two dimensions. The authors consider a particular system---multiple…

Numerical Analysis · Mathematics 2015-10-20 Gary Marple , Alex Barnett , Adrianna Gillman , Shravan Veerapaneni

This paper proposes a new boundary integral equation (BIE) methodology based on the perfectly matched layer (PML) truncation technique for solving the electromagnetic scattering problems in a multi-layered medium. Instead of using the…

Numerical Analysis · Mathematics 2024-01-30 Gang Bao , Wangtao Lu , Tao Yin , Lu Zhang

Background. The calculation of diffusion-controlled ligand binding rates is important for understanding enzyme mechanisms as well as designing enzyme inhibitors. We demonstrate the accuracy and effectiveness of a Lagrangian particle-based…

Biomolecules · Quantitative Biology 2016-05-17 Wenxiao Pan , Michael Daily , Nathan A. Baker

A spectral formulation of the boundary integral equation method for antiplane problems is presented. The boundary integral equation method relates the slip and the shear stress at an interface between two half-planes. It involves evaluating…

Computational Engineering, Finance, and Science · Computer Science 2021-11-30 Kunnath Ranjith

Curvilinear coordinate systems distinct from the rectangular Cartesian coordinate system are particularly valuable in the field calculations as they facilitate the expression of boundary conditions of differential equations in a reasonably…

Mathematical Physics · Physics 2024-05-16 Pavel Strunz

In this paper, we consider the boundary integral equation (BIE) method for solving the exterior Neumann boundary value problems of elastic and thermoelastic waves in three dimensions based on the Fredholm integral equations of the first…

Numerical Analysis · Mathematics 2019-06-26 Gang Bao , Liwei Xu , Tao Yin

The immersed boundary-finite element method (IBFE) is an approach to describing the dynamics of an elastic structure immersed in an incompressible viscous fluid. In this formulation, there are discontinuities in the pressure and viscous…

Numerical Analysis · Mathematics 2020-03-18 Charles Puelz , Boyce E. Griffith

This paper presents a re-formulation of the boundary integral method (BIM) for the Debye-Huckel model of molecular and colloidal electrostatics that removes the mathematical singularities that have been accepted as an intrinsic part of the…

Computational Physics · Physics 2019-10-14 Q. Sun , E. Klaseboer , D. Y. C. Chan

We consider the classical coupled, combined-field integral equation formulations for time-harmonic acoustic scattering by a sound soft bounded obstacle. In recent work, we have proved lower and upper bounds on the $L^2$ condition numbers…

Numerical Analysis · Mathematics 2010-07-20 Timo Betcke , Simon N. Chandler-Wilde , Ivan G. Graham , Stephen Langdon , Marko Lindner

We study the evaluation of layer potentials close to the domain boundary. Accurate evaluation of layer potentials near boundaries is needed in many applications, including fluid-structure interactions and near-field scattering in…

Numerical Analysis · Mathematics 2017-12-06 Camille Carvalho , Shilpa Khatri , Arnold D Kim

A finite difference scheme is used to develop a numerical method to solve the flow of an unbounded viscoelastic fluid with zero to moderate inertia around a prolate spheroidal particle. The equations are written in prolate spheroidal…

Fluid Dynamics · Physics 2023-10-11 Arjun Sharma , Donald L. Koch