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A conformal dispersive finite-difference time-domain (FDTD) method is developed for the study of one-dimensional (1-D) plasmonic waveguides formed by an array of periodic infinite-long silver cylinders at optical frequencies. The curved…
The Particle-In-Cell (PIC) method is widely used in relativistic particle beam and laser plasma modeling. However, the PIC method exhibits numerical instabilities that can render unphysical simulation results or even destroy the simulation.…
The article presents results of discrete thermodynamics (DTD) basic application to electrochemical systems. Consistent treatment of the electrochemical system as comprising two interacting subsystems - the chemical and the electrical…
This paper analyzes the accuracy of the standard Yee finite-difference time-domain (FDTD) scheme for simulating normal incidence of harmonic plane waves on planar interfaces between lossless, linear, homogeneous, isotropic media. Unlike…
Simulations of fluid flow in naturally fractured rocks have implications for several subsurface applications, including energy storage and extraction, and waste storage. We are interested in flow in discrete fracture networks, which…
This paper proposes a radial dependent dispersive finite-difference time-domain method for the modelling of electromagnetic cloaking structures. The permittivity and permeability of the cloak are mapped to the Drude dispersion model and…
A new variational method for studying the equilibrium states of an interacting particles system has been proposed. The statistical description of the system is realized by means of a density matrix. This method is used for description of…
In simulations of colloidal matter, frictional contacts between particles are often neglected. For spherical colloids, such an approximation can be problematic, since frictional contacts couple translational and rotational degrees of…
In this work, we investigate dispersion interactions in a selection of atomic, molecular, and molecule-surface systems, comparing high-level correlated methods with empirically-corrected density functional theory (DFT). We assess the…
We develop a mathematical framework to analyze electrochemical impedance spectra in terms of a distribution of diffusion times (DDT) for a parallel array of random finite-length Warburg (diffusion) or Gerischer (reaction-diffusion) circuit…
Motivated by compartmental analysis in engineering and biophysical systems, we present a variational framework for the nonequilibrium thermodynamics of systems involving both distributed and discrete (finite dimensional) subsystems by…
Nonlinear thermoelastic systems play a crucial role in understanding thermal conductivity, stresses, elasticity, and temperature interactions. This research focuses on finding solutions to these systems in their fractional forms, which is a…
We present a highly accurate numerical method based on a boundary integral formulation and the leaky dielectric model to study the dynamics of surfactant-covered drops in the presence of an applied electric field. The method can simulate…
A radial-dependent dispersive finite-difference time-domain (FDTD) method is proposed to simulate electromagnetic cloaking devices. The Drude dispersion model is applied to model the electromagnetic characteristics of the cloaking medium.…
The finite-difference time-domain (FDTD) method is a flexible and powerful technique for rigorously solving Maxwell's equations. However, three-dimensional optical nonlinearity in current commercial and research FDTD softwares requires…
Discontinuous changes in the electronic structure upon infinitesimal changes to the Hamiltonian are demonstrated. Remarkably, these are revealed in one and two electron molecular systems if the realm of the nuclear charge is extended to be…
This paper proposes an efficient FDTD technique for determining electromagnetic fields interacting with a finite-sized 2D and 3D periodic structures. The technique combines periodic boundary conditions---modelling fields away from the edges…
We introduce a rigorous and simple method for analyzing metasurfaces, modeled as zero-thickness electromagnetic sheets, in Finite Difference (FD) techniques. The method consists in describing the spatial discontinuity induced by the…
Heterogeneous interfaces are central to many energy-related applications in the nanoscale. From the first-principles electronic structure perspective, one of the outstanding problems is accurately and efficiently calculating how the…
Using the FDTD method, we investigate the electromagnetic propagation in two-dimensional photonic crystals, formed by parallel air cylinders in a dielectric medium. The corresponding frequency band structure is computed using the standard…