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By an idealized quantum mechanical model, we formally describe the dispersion of nonretarded electromagnetic waves that express charge density oscillations near a fixed plane in three spatial dimensions (3D) at zero temperature. Our goal is…
By introducing thermal entangled state representation which can map master equations of density operator in quantum statistics as state vector evolution equations and using dissipative interaction picture we solve the master equation of J-C…
Several implicit (continuum) solvent models are considered: the Polarized Continuum Model (PCM), the Surface Generalized Born model (SGB), and the COnductor-like Screening model (COSMO) as well as their implementation in the form of the…
The nature and the very existence of the resonant plaquette valence bond state that separates the classical columnar phase and the Rokhsar and Kivelson point in the quantum dimer model remains unsettled. Here we take a different line of…
The scope of the present study is Eulerian modeling and simulation of polydisperse liquid sprays undergoing droplet coalescence and evaporation. The fundamental mathematical description is the Williams spray equation governing the joint…
The Darwin approximation is investigated for its possible use in simulation of electromagnetic effects in large size, high frequency capacitively coupled discharges. The approximation is utilized within the framework of two different fluid…
We report the first theoretical model for the alkali fluids which yields a liquid-vapor phase coexistence with the experimentally observed features and electrical conductivity estimates which are also in accord with observations. We have…
In this paper we investigate the one-dimensional parabolic-parabolic Patlak-Keller-Segel model of chemotaxis. For the case when the diffusion coefficient of chemical substance is equal to two, in terms of travelling wave variables the…
We present discontinuous Galerkin (DG) methods for solving a first-order semi-linear hyperbolic system, which was originally proposed as a continuum model for a one-dimensional dimer lattice of topological resonators. We examine the…
This paper presents a new solver developed in OpenFOAM for the modeling of lubricant in the narrow gap between two surfaces inducing hydrodynamic pressures up to few gigapascal. Cavitation is modeled using the homogeneous equilibrium model.…
We present a new high-order accurate Lagrangian discontinuous Galerkin (DG) hydrodynamic method to simulate material dynamics (for e.g., gasses, fluids, and solids) with up to fourth-order accuracy on cubic meshes. The variables, such as…
This paper presents a model of coagulation in electrolyte solutions. In this paper, the coagulation process is modeled according to DLVO-theory, which is an atomistic theory. On the other hand, we describe the dynamics in the electrolyte…
We apply first principles computational techniques to analyze the two-electron, multi-step, electrochemical reduction of CO2 to CO in water using cobalt porphyrin as a catalyst. Density Functional Theory calculations with hybrid functionals…
A model one-dimensional self consistent steady state collisionless self-gravitating system in which all the particles have the same energy is presented. This has the remarkable property that the position and velocity of the particles…
For many years, the Luttinger liquid theory has served as a useful paradigm for the description of one-dimensional (1D) quantum fluids in the limit of low energies. This theory is based on a linearization of the dispersion relation of the…
We study the connection between Lagrangian and Hamiltonian descriptions of closed/open dynamics, for a collection of particles with quadratic interaction (closed system) and a sub-collection of particles with linear damping (open system).…
The eletromagnetic field in a linear absorptive dielectric medium, is quantized in the framework of the damped polarization model. A Hamiltonian containing a reservoir with continuous degrees of freedom, is proposed. The reservoir minimally…
We derive a quantum kinetic model describing the dynamics of graphene electrons in phase space based on the Wigner--Weyl formalism. To take into account the quantum nature of the carriers, we make use of the quantum Liouville equation for…
We present a general two-dimensional model of conical intersection between metastable states that are vibronically coupled not only directly but also indirectly through a virtual electron in the autodetachment continuum. This model is used…
We study the regularity and uniqueness of weak solutions of a degenerate parabolic equation, arising as the limit of a stochastic lattice model of self-propelled particles. The angle-average of the solution appears as a coefficient in the…