相关论文: Efficient and accurate simulation of dynamic diele…
In an electrostatic simulation, an equipotential condition with an undefined/floating potential value has to be enforced on the surface of an isolated conductor. If this conductor is charged, a nonzero charge condition is also required.…
Boundary element methods (BEM) reduce a partial differential equation in a domain to an integral equation on the domain's boundary. They are particularly attractive for solving problems on unbounded domains, but handling the dense matrices…
In this paper, we propose a multiscale empirical interpolation method for solving nonlinear multiscale partial differential equations. The proposed method combines empirical interpolation techniques and local multiscale methods, such as the…
The dielectric response function and its inverse are crucial physical quantities in materials science. We propose an accurate and efficient strategy to invert the dielectric function matrix. The GW approximation, a powerful approach to…
We introduce a new multimesh finite element method for direct numerical simulation of incompressible particulate flows. The proposed approach falls into the category of overlapping domain decomposition / Chimera / overset grid meshes. In…
The Intrinsic Surface Finite Element Method (ISFEM) was recently proposed to solve Partial Differential Equations (PDEs) on surfaces. ISFEM proceeds by writing the PDE with respect to a local coordinate system anchored to the surface and…
We present a new computation method for simulating reflection high-energy electron diffraction and the total-reflection high-energy positron diffraction experiments. The two experiments are used commonly for the structural analysis of…
Spatial interferometry, based on the measurement of total absorbed power, can be used to determine the state of coherence of the electromagnetic field to which any energy-absorbing structure is sensitive. The measured coherence tensor can…
We investigate key electrostatic features of charged dendrimers at hand of the biomedically important dendritic polyglycerol sulfate (dPGS) macromolecule using multi-scale computer simulations and Zetasizer experiments. In our simulation…
In this work we study the general system of geodesic equations for the case of a massive particle moving on an arbitrary curved manifold. The investigation is carried out from the symmetry perspective. By exploiting the parametrization…
Gausslets are one of the few basis constructions for electronic structure that combine locality, orthonormality, variable resolution, and an accurate diagonal approximation for the electron-electron interaction, but the original…
In recent years, molecular dynamics (MD) simulations have emerged as a pivotal tool for understanding the structure, dynamics, and phase behavior in charged soft matter systems. To explore phenomena across greater length and time scales in…
We develop a comprehensive continuum model capable of treating both electrostatic and structural interactions in liquid dielectrics. Starting from a two-order parameter description in terms of charge density and polarization, we derive a…
We introduce a particle-based simulation method for granular material in interactive frame rates. We divide the simulation into two decoupled steps. In the first step, a relatively small number of particles is accurately simulated with a…
A surface integral representation of Maxwell's equations allows the efficient electromagnetic (EM) modeling of three-dimensional structures with a two-dimensional discretization, via the boundary element method (BEM). However, existing BEM…
We propose an $hp$-adaptive discontinuous Galerkin finite element method (DGFEM) to approximate the solution of a static crack boundary value problem. The mathematical model describes the behavior of a geometrically linear strain-limiting…
The boundary sheath of a low temperature plasma comprises typically only a small fraction of its volume but is responsible for many aspects of the macroscopic behavior. A thorough understanding of the sheath dynamics is therefore of…
It is known that the solution of a conservative steady-state two-sided fractional diffusion problem can exhibit singularities near the boundaries. As consequence of this, and due to the conservative nature of the problem, we adopt a finite…
We outline the construction of compatible B-splines on 3D surfaces that satisfy the continuity requirements for electromagnetic scattering analysis with the boundary element method (method of moments). Our approach makes use of Non-Uniform…
The analysis of electromagnetic scattering has long been performed on a discrete representation of the geometry. This representation is typically continuous but {\em not} differentiable. The need to define physical quantities on this…