Related papers: Accurate and Efficient Numerical Simulation of Die…
Dual-continuum (DC) models can be tractable alternatives to explicit approaches for the numerical modelling of multiscale materials with multiphysics behaviours. This work concerns the conceptual and numerical modelling of poroelastically…
Maxwell equations are solved in a layer comprising a finite number of homogeneous isotropic dielectric regions ended by anisotropic perfectly matched layers (PMLs). The boundary-value problem is solved and the dispersion relation inside the…
We give uniqueness theorem and reconstruction algorithm for the nonlinearized problem of finding the dielectric anisotropy f of the medium from non-overdetermined polarization tomography data. We assume that the medium has uniform…
Recent experimental measurements, without any theoretical guidance, showed that isotropic polarization response can be achieved by increasing the number of QD layers in a QD stack. Here we analyse the polarization response of multi-layer…
We present LayerPCM, an extension of the polarizable-continuum model coupled to real-time time-dependent density-functional theory for an efficient and accurate description of the electrostatic interactions between molecules and…
Grand canonical Monte Carlo simulation results are reported for an electric double layer modelled by a planar charged hard wall, anisotropic shape cations, and spherical anions at different electrolyte concentrations and asymmetric…
We theoretically study electrostatic properties of electric double layer using a generalized Poisson-Boltzmann approach taking into account the orientational ordering of water dipoles and the excluded volume effect of water molecules as…
Multipole representation is proposed for the anisotropic Coulomb interactions in solids. Any local interactions can be expressed as the product of two multipole operators, and the interaction parameters are systematically classified based…
Electrochemical impedance spectra for battery electrodes are usually interpreted using models that assume isotropic active particles, having uniform current density and symmetric diffusivities. While this can be reasonable for amorphous or…
Besides the chemical constituents, it is the lattice geometry that controls the most important material properties. In many interesting compounds, the arrangement of elements leads to pronounced anisotropies, which reflect into a varying…
We derive a correct first-order perturbation theory in electromagnetism for cases where an interface between two anisotropic dielectric materials is slightly shifted. Most previous perturbative methods give incorrect results for this case,…
Anisotropic particles oriented in a specific direction can act as artificial atoms and molecules, and their controlled assembly can result in a wide variety of ordered structures. Towards this, we demonstrate the orientation transitions of…
We introduce a numerical method that enables efficient modelling of light scattering by large, disordered ensembles of non-spherical particles incorporated in stratified media, including when the particles are in close vicinity to each…
We briefly review recent theoretical and simulation studies of charged colloidal dispersions in alternating electric fields (AC fields). The response of single colloid to an external field can be characterized by a complex polarizability,…
Influence of number of particles considered in numerical simulations on complex dielectric permittivity of binary dilute dielectric mixtures in two-dimensions are reported. In the simulations, dodecagons (polygons with 12-sides) were used…
The behaviour and stability of soft and biological matter depend significantly on electrostatic interactions, as particles such as proteins and colloids acquire a charge when dispersed in an electrolytic solution. A typical simplification…
In this article: a) a method is developed for calculating volumetric diagrams of elastic scattering of microparticles (in particular, electrons and photons) on single-layer and multi-layer statistically uneven surfaces; b) the diffraction…
The standard Maxwell formulation of the problem of polarized dielectrics suffers from a number of difficulties, both conceptual and practical. These difficulties are particularly significant in the case of liquid interfaces, where 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…
We report an experimental assessment of surface kinetic roughening properties that are anisotropic in space. Working for two specific instances of silicon surfaces irradiated by ion-beam sputtering under diverse conditions (with and without…