相关论文: Efficient and accurate simulation of dynamic diele…
Two main approaches in particle-based simulations for modeling a charged surface are using explicit, discrete charges and continuum, uniform charges. It is well-known that these two approaches could lead to substantially distinct ionic…
This paper describes a mixed direct-iterative method for boundary integral formulations of dielectric solvation models. We give an example for which a direct solution at thermal accuracy is nontrivial and for which Gauss-Seidel iteration…
This work focuses on model preparation for electrostatic simulations of CAD designs to realize a rapid virtual prototyping concept. We present a boundary element method (BEM) allowing discontinuous fields between surfaces. The corresponding…
We develop a computational method for modeling electrostatic interactions of arbitrarily-shaped, polarizable objects on colloidal length scales, including colloids/nanoparticles, polymers, and surfactants, dispersed in explicit ion…
This article is the second in a series of two papers concerning the mathematical study of a boundary integral equation of the second kind that describes the interaction of $N$ dielectric spherical particles undergoing mutual polarisation.…
We consider Einstein gravity on a patch of AdS$_3$ spacetime between two radii $r_1, r_2$. We compute surface charges and their algebra at an arbitrary radius $r$ such that it reduces to a given set of surface charges at $r_1, r_2$. The…
We present a high-order spacetime numerical method for discretizing and solving linear initial-boundary value problems using wavelet-based techniques with user-prescribed error estimates. The spacetime wavelet discretization yields a system…
We propose to measure the surface charge accumulating at the interface between a plasma and a dielectric by infrared spectroscopy using the dielectric as a multi-internal reflection element. The surplus charge leads to an attenuation of the…
We present a new particle-based (discrete element) numerical method for the simulation of granular dynamics, with application to motions of particles on small solar system body and planetary surfaces. The method employs the parallel N-body…
This paper is concerned with the boundary integral equation method for solving the exterior Neumann boundary value problem of dynamic poroelasticity in two dimensions. The main contribution of this work consists of two aspescts: the…
This paper presents novel methodologies for the numerical simulation of scattering of elastic waves by both closed and open surfaces in three-dimensional space. The proposed approach utilizes new integral formulations as well as an…
We develop a boundary element method to calculate Van der Waals interactions for systems composed of domains of spatially constant dielectric response. We achieve this by rewriting the interaction energy expression exclusively in terms of…
Continuum solvation methods can provide an accurate and inexpensive embedding of quantum simulations in liquid or complex dielectric environments. Notwithstanding a long history and manifold applications to isolated systems in open boundary…
A novel energy minimization formulation of electrostatics that allows computation of the electrostatic energy and forces to any desired accuracy in a system with arbitrary dielectric properties is presented. An integral equation for the…
Spherical symmetry is ubiquitous in nature. It's therefore unfortunate that spherical system simulations are so hard, and require complete spheres with millions of interacting particles. Here we introduce an approach to model spherical…
We present a collision model for phase-resolved Direct Numerical Simulations of sediment transport that couple the fluid and particles by the Immersed Boundary Method. Typically, a contact model for these types of simulations comprises a…
The structure and function of biological molecules are strongly influenced by the water and dissolved ions that surround them. This aqueous solution (solvent) exerts significant electrostatic forces in response to the biomolecule's…
We present a fast and accurate method to calculate the electrostatic energy and forces of interacting particles with the boundary conditions appropriate to surfaces, i.e periodic in the two directions parallel to the surface and free in the…
Accurate and fast calculations of localized surface plasmon resonances (LSPR) in metallic nanoparticles is essential for applications in sensing, nano-optics, and energy harvesting. Although full-wave numerical techniques such as the…
Simulations of many rigid bodies colliding with each other sometimes yield particularly interesting results if the colliding objects differ significantly in size and are non-spherical. The most expensive part within such a simulation code…