相关论文: Interfacial Numerical Dispersion and New Conformal…

Electromagnetic scattering in moving structures is a fundamental topic in physics and engineering. Yet, no general numerical solution to related problems has been reported to date. We introduce here a generalized FDTD scheme to remedy this…

Based on the idea of maintaining physical diffuse interface kinetics, enhancing interfacial diffusivity has recently provided a new direction for quantitative phase-field simulation at microstructural length and time scale. Establishing a…

Diffusive representations of fractional derivatives have proven to be useful tools in the construction of fast and memory efficient numerical methods for solving fractional differential equations. A common challenge in many of the known…

A parallel dispersive finite-difference time-domain (FDTD) method for the modeling of three-dimensional (3-D) electromagnetic cloaking structures is presented in this paper. The permittivity and permeability of the cloak are mapped to the…

The finite-difference time-domain (FDTD) algorithm is a popular numerical method for solving electromagnetic problems. FDTD simulations can suffer from instability due to the explicit nature of the method. Stability enforcement can be…

It is widely thought that small time steps lead to small numerical errors in the finite-difference time-domain (FDTD) simulations. In this paper, we investigated how time steps impact on numerical dispersion of two FDTD methods including…

In this paper we study a system of advection-diffusion equations in a bulk domain coupled to an advection-diffusion equation on an embedded surface. Such systems of coupled partial differential equations arise in, for example, the modeling…

Density-functional perturbation theory (DFPT) is nowadays the method of choice for the accurate computation of linear and non-linear response properties of materials from first principles. A notable advantage of DFPT over alternative…

Colloids dispersed in nematic liquid crystals form topological composites in which colloid-associated defects mediate interactions while adhering to fundamental topological constraints. Better realising the promise of such materials…

This study presents a finite difference method (FDM) to model the electromagnetic field propagation in eccentric coaxial waveguides filled with lossy uniaxially anisotropic media. The formulation utilizes conformal transformation to map the…

We introduce a system-independent method to derive effective atomic C$_6$ coefficients and polarizabilities in molecules and materials purely from charge population analysis. This enables the use of dispersion-correction schemes in…

We present a corrective subcell averaging technique that improves on the accuracy of the volume-averaged finite-difference time-domain (FDTD) method in the presence of dispersive material interfaces. The method is based on an alternative…

Multi-configurational wave functions are known to describe electronic structure across a Born-Oppenheimer surface qualitatively correct. However, for quantitative reaction energies, dynamical correlation originating from the many…

The fluctuation dissipation theorem (FDT) is the basis for a microscopic description of the interaction between electromagnetic radiation and matter.By assuming the electromagnetic radiation in thermal equilibrium and the interaction in the…

Tracer diffusion and hydrodynamic dispersion in two-dimensional fractures with self-affine roughness is studied by analytic and numerical methods. Numerical simulations were performed via the lattice-Boltzmann approach, using a new boundary…

The Poisson-Nernst-Planck (PNP) diffusional model for the immittance or impedance spectroscopy response of an electrolytic cell in a finite-length situation is extended to a general framework. In this new formalism, the bulk behavior of the…

An exchange-correction to the Fixed Diagonal Matrices (FDM) method is introduced to improve accuracy when employing a single reference wavefunction. Also, the performance of the Becke-Roussel exchange-hole for approximating the pair density…

The formulation of combinatorial differential forms, proposed by Forman for analysis of topological properties of discrete complexes, is extended by defining the operators required for analysis of physical processes dependent on scalar…

A novel explicit method to model Lorentz linear dispersive media with finite difference method are presented. The method shows an explicit method without any modification to the Leap-Frogging scheme. The polarizations of the Lorentz media…

Dirac-delta distributions are often crucial components of the solid-fluid coupling operators in immersed solution methods for fluid-structure interaction (FSI) problems. This is certainly so for methods like the Immersed Boundary Method…