Related papers: A Finite-Size Supercell Correction Scheme for Char…
The universal finite-size correction to the free energy of a two-dimensional Coulomb system is checked in the special case of a one-component plasma on a sphere. The correction is related to the known second moment of the short-range part…
We investigate the density large deviation function for a multidimensional conservation law in the vanishing viscosity limit, when the probability concentrates on weak solutions of a hyperbolic conservation law conservation law. When the…
In contrast with the 3D result, the Beth-Uhlenbeck (BU) formula in 1D contains an extra -1/2 term. The origin of this -1/2 term is explained using a spectral density approach. To be explicit, a delta-function potential is used to show that…
In this paper, we study the stability of the non symmetric version of the Nitsche's method without penalty for domain decomposition. The Poisson problem is considered as a model problem. The computational domain is divided into two…
Modeling nanoscale devices quantum mechanically is a computationally challenging problem where new methods to solve the underlying equations are in a dire need. In this paper, we present an approach to calculate the charge density in…
A finite element discretization using a method of lines approached is proposed for approximately solving the Poisson-Nernst-Planck (PNP) equations. This discretization scheme enforces positivity of the computed solutions, corresponding to…
We describe a charge-conserving scatter-gather algorithm for particle-in-cell simulations on unstructured grids. Charge conservation is obtained from first principles, i.e., without the need for any post-processing or correction steps. This…
The properties of surfaces with charge-regulated patches are studied using non-linear Poisson-Boltzmann theory. Using a mode expansion to solve the non-linear problem efficiently, we reveal the charging behaviour of Debye-length sized…
Electron charge density is a fundamental physical quantity, determining various properties of matter. In this study, we have proposed a deep-learning model for accurate charge density prediction. Our model naturally preserves physical…
We design an arbitrary-order free energy satisfying discontinuous Galerkin (DG) method for solving time-dependent Poisson-Nernst-Planck systems. Both the semi-discrete and fully discrete DG methods are shown to satisfy the corresponding…
Using in-situ transmission electron microscopy, we have directly observed nano-scale defects formed in ultra-high purity tungsten by low-dose high energy self-ion irradiation at 30K. At cryogenic temperature lattice defects have reduced…
Implicit and explicit density functionals for the exchange energy in finite two-dimensional systems are developed following the approach of Becke and Roussel [Phys. Rev. A 39, 3761 (1989)]. Excellent agreement for the exchange-hole…
The deformed supersymmetric sine-Gordon model, obtained through known deformation of the corresponding potential, is found to be quasi-integrable, like its non-supersymmetric counterpart, which was observed earlier. The system expectedly…
A particle-in-cell algorithm is derived with a canonical Poisson structure in the formalism of finite element exterior calculus. The resulting method belongs to the class of gauge-compatible splitting algorithms, which exactly preserve…
In this paper, we develop an adaptive finite element method for the nonlinear steady-state Poisson-Nernst-Planck equations, where the spatial adaptivity for geometrical singularities and boundary layer effects are mainly considered. As a…
We study a simple extension of the standard model to simultaneously explain neutrino masses, dark matter and the matter-antimatter asymmetry of the Universe. In our model, the baryon asymmetry is achieved by the leptogenesis mechanism,…
This PhD thesis has the following structure: Chapter 1 - General introduction; Chapter 2 - Preliminaries; Chapter 3 - The Replicated Transfer Matrix; Chapter 4 - Finite Size Corrections On Random Graphs; Chapter 5 - The Random Field Ising…
We consider an exactly solvable inhomogeneous Dicke model which describes an interaction between a disordered ensemble of two-level systems with single mode boson field. The existing method for evaluation of Richardson-Gaudin equations in…
We consider the finite element method on locally damaged meshes allowing for some distorted cells which are isolated from one another. In the case of the Poisson equation and piecewise linear Lagrange finite elements, we show that the usual…
We demonstrate the role of selectivity variation in the structure of the non-equilibrium extended space-charge using 1D analytic and 2D numerical Poisson-Nernst-Planck models for the electro- diffusive transport of a symmetric electrolyte.…