Dielectric mixtures -- electrical properties and modeling

In this paper, a review on dielectric mixtures and the importance of the numerical simulations of dielectric mixtures are presented. It stresses on the interfacial polarization observed in mixtures. It is shown that this polarization can yield different dielectric responses depending on the properties of the constituents and their concentrations. Open question on the subject are also introduced.Comment: 40 pages 12 figures, to be appear in IEEE Trans. on Dielectric

Kinetic theory of quantum transport at the nanoscale

We present a quantum-kinetic scheme for the calculation of non-equilibrium transport properties in nanoscale systems. The approach is based on a Liouville-master equation for a reduced density operator and represents a generalization of the well-known Boltzmann kinetic equation. The system, subject to an external electromotive force, is described using periodic boundary conditions. We demonstrate the feasibility of the approach by applying it to a double-barrier resonant tunneling structure

Molecular Mean-Field Theory of Ionic Solutions: a Poisson-Nernst-Planck-Bikerman Model

We have developed a molecular mean-field theory -- fourth-order Poisson-Nernst-Planck-Bikerman theory -- for modeling ionic and water flows in biological ion channels by treating ions and water molecules of any volume and shape with interstitial voids, polarization of water, and ion-ion and ion-water correlations. The theory can also be used to study thermodynamic and electrokinetic properties of electrolyte solutions in batteries, fuel cells, nanopores, porous media including cement, geothermal brines, the oceanic system, etc. The theory can compute electric and steric energies from all atoms in a protein and all ions and water molecules in a channel pore while keeping electrolyte solutions in the extra- and intracellular baths as a continuum dielectric medium with complex properties that mimic experimental data. The theory has been verified with experiments and molecular dynamics data from the gramicidin A channel, L-type calcium channel, potassium channel, and sodium/calcium exchanger with real structures from the Protein Data Bank. It was also verified with the experimental or Monte Carlo data of electric double-layer differential capacitance and ion activities in aqueous electrolyte solutions. We give an in-depth review of the literature about the most novel properties of the theory, namely, Fermi distributions of water and ions as classical particles with excluded volumes and dynamic correlations that depend on salt concentration, composition, temperature, pressure, far-field boundary conditions etc. in a complex and complicated way as reported in a wide range of experiments. The dynamic correlations are self-consistent output functions from a fourth-order differential operator that describes ion-ion and ion-water correlations, the dielectric response (permittivity) of ionic solutions, and the polarization of water molecules with a single correlation length parameter.Comment: 18 figure

Link between the photonic and electronic topological phases in artificial graphene

In recent years the study of topological phases of matter has emerged as a very exciting field of research, both in photonics and in electronics. However, up to now the electronic and photonic properties have been regarded as totally independent. Here, we establish a link between the electronic and the photonic topological phases of the same material system and theoretically demonstrate that they are intimately related. We propose a realization of the Haldane model as a patterned 2D electron gas and determine its optical response using the Kubo formula. It is shown that the electronic and photonic phase diagrams of the patterned electron gas are strictly related. In particular, the system has a trivial photonic topology when the inversion symmetry is the prevalent broken symmetry, whereas it has a nontrivial photonic topology for a dominant broken time-reversal symmetry, similar to the electronic case. To confirm these predictions, we numerically demonstrate the emergence of topologically protected unidirectional electromagnetic edge-states at the interface with a trivial photonic material.Comment: 6 figures, 1 gif animatio

Controlling motile disclinations in a thick nematogenic material with an electric field

Manipulating topological disclination networks that arise in a symmetry-breaking phase transfor- mation in widely varied systems including anisotropic materials can potentially lead to the design of novel materials like conductive microwires, self-assembled resonators, and active anisotropic matter. However, progress in this direction is hindered by a lack of control of the kinetics and microstructure due to inherent complexity arising from competing energy and topology. We have studied thermal and electrokinetic effects on disclinations in a three-dimensional nonabsorbing nematic material with a positive and negative sign of the dielectric anisotropy. The electric flux lines are highly non-uniform in uniaxial media after an electric field below the Fr\'eedericksz threshold is switched on, and the kinetics of the disclination lines is slowed down. In biaxial media, depending on the sign of the dielectric anisotropy, apart from the slowing down of the disclination kinetics, a non-uniform electric field filters out disclinations of different topology by inducing a kinetic asymmetry. These results enhance the current understanding of forced disclination networks and establish the pre- sented method, which we call fluctuating electronematics, as a potentially useful tool for designing materials with novel properties in silico.Comment: 17 Pages, 14 Figure