相关论文: Rigorous Error Bounds for Ewald Summation of Elect…
Simplifying the geometry of a CAD model using defeaturing techniques enables more efficient discretisation and subsequent simulation for engineering analysis problems. Understanding the effect this simplification has on the solution helps…
In the first two papers in this series, we developed new shifted potential (SP), gradient shifted force (GSF), and Taylor shifted force (TSF) real-space methods for multipole interactions in condensed phase simulations. Here, we discuss the…
We present an accurate and efficient algorithm to calculate the electrostatic interaction of charged point particles with partially periodic boundary conditions that are confined along the nonperiodic direction by two metallic parallel…
The quasi-2D electrostatic systems, characterized by periodicity in two dimensions with a free third dimension, have garnered significant interest in many fields. We apply the sum-of-Gaussians (SOG) approximation to the Laplace kernel,…
General results on convex bodies are reviewed and used to derive an exact closed-form parametric formula for the boundary of the geometric (Minkowski) sum of $k$ ellipsoids in $n$-dimensional Euclidean space. Previously this was done…
General results on convex bodies are reviewed and used to derive an exact closed-form parametric formula for the boundary of the geometric (Minkowski) sum of $k$ ellipsoids in $n$-dimensional Euclidean space. Previously this was done…
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…
We gain tight rigorous bounds on the renormalisation fixed point function for period doubling in families of unimodal maps with degree 2 critical point. By writing the relevant eigenproblems in a modified nonlinear form, we use these…
For elliptic interface problems in two- and three-dimensions, this paper establishes a priori error estimates for Crouzeix-Raviart nonconforming, Raviart-Thomas mixed, and discontinuous Galerkin finite element approximations. These…
We consider a set of electrostatic problems relevant for determining the real-space structure and the ground-state energy of a two-dimensional electron liquid subject to smooth external potentials. Three fundamental geometries are…
In the present paper, employing properties of the complete elliptic integrals of the first and second kind, we deduce closed-form formulae for the lattice sums and other new formulae. Applications to the effective properties of regular and…
We present a fully Eulerian hybrid immersed-boundary/phase-field model to simulate wetting and contact line motion over any arbitrary geometry. The solid wall is described with a volume-penalisation ghost-cell immersed boundary whereas the…
We investigate the reconstruction of a turbulent flow field in the atmospheric boundary layer from a time series of lidar measurements, using Large-Eddy Simulations (LES) and a 4D-Var data assimilation algorithm. This leads to an…
The evaluation of long-range Coulomb interactions is a significant cost in molecular dynamics (MD), even when using Particle Mesh Ewald (PME) or Particle-Particle-Particle-Mesh (PPPM) methods, which rely on Ewald splitting and the fast…
We propose a boundary-corrected weak Galerkin mixed finite element method for solving elliptic interface problems in 2D domains with curved interfaces. The method is formulated on body-fitted polygonal meshes, where interface edges are…
The stationary, axisymmetric reduction of the vacuum Einstein equations, the so-called Ernst equation, is an integrable nonlinear PDE in two dimensions. There now exists a general method for analyzing boundary value problems for integrable…
The tolerancing process links the virtual and the real worlds. From the former, tolerances define a variational geometrical language (geometric parameters). From the latter, there are values limiting those parameters. The beginning of a…
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…
Transmission Electron Microscopy enables high-resolution imaging of materials, but the resulting images are difficult to interpret directly. One way to address this is exit wave reconstruction, i.e., the recovery of the complex-valued…
We propose a simple direct-sum method for the efficient evaluation of lattice sums in periodic solids. It consists of two main principles: i) the creation of a supercell that has the topology of a Clifford torus, which is a flat, finite and…