Related papers: Ab-initio calculation method for charged slab syst…
We develop a general framework for the electrostatic analysis of point charges in multilayer planar structures with arbitrary layer thicknesses and material parameters. Starting from a Hankel-transform analysis, we derive alternative…
Surface charging is a phenomenon ubiquitously observable in in-situ transmission electron microscopy of non-conducting specimens as a result of electron beam/sample interactions or optical stimuli and often limits the achievable image…
The 3D Gaussian splatting method has drawn a lot of attention, thanks to its high performance in training and high quality of the rendered image. However, it uses anisotropic Gaussian kernels to represent the scene. Although such…
We calculate electrostatic potential landscapes for an external probe charge in the presence of a set of metallic islands. Our numerical calculation in three dimensions (3D)uses an efficient grid relaxation technique. The well-known…
Dimensional analysis, superposition principle, and continuity of electric potential are used to study electric potential of a uniformly charged square sheet at its plane. It is shown that knowing the electric potential on the diagonal and…
The full-wave simulation of complex electromagnetic surfaces such as reflectarrays and metasurfaces is a challenging problem. In this paper, we present a macromodeling approach to efficiently simulate complex electromagnetic surfaces…
A novel low complexity method to perform self-consistent electronic-structure calculations using the Kohn-Sham formalism of density functional theory is presented. Localization constraints are neither imposed nor required thereby allowing…
A systematic replica field theory calculations are analysed using the examples of two particular one-dimensional "toy" random models with Gaussian disorder. Due to apparent simplicity of the model the replica trick calculations can be…
An exact formulation of the propagation of a monochromatic wave packet impinging upon a transparent, homogeneous, isotropic and parallel slab at oblique incidence is presented. Approximate formulas are derived for low divergence Gaussian…
A technique is presented for the design of printed unit cells in aperiodic metasurface environments. The method begins with a solved matrix equation governing electromagnetic scattering from a homogenized metasurface design. The matrix…
In this work, we present a method for simulating the large-scale deformation and crumpling of thin, elastoplastic sheets. Motivated by the physical behavior of thin sheets during crumpling, two different formulations of the governing…
Determining atomistic structures from characterization data is one of the most common yet intricate problems in materials science. Particularly in amorphous materials, proposing structures that balance realism and agreement with experiments…
As a first step to meet the challenge to calculate the electronic structure and total energy of charged states of atoms and molecules adsorbed on ultrathin-insulating films supported by a metallic substrate using density functional theory…
One of the main computational drawbacks in the application of 3-D iterative inversion techniques is the requirement of solving the field quantities for the updated contrast in every iteration. In this paper, the 3-D electromagnetic inverse…
We present a model for the ion distribution near a charged surface, based on the response of the ions to the presence of a single test particle. Near an infinite planar surface this model produces the exact density profile in the limits of…
Electrical double layers play a key role in a variety of electrochemical systems. The mean free path of secondary electrons in aqueous solutions is on the order of a nanometer, making them suitable for probing of ultrathin electrical double…
The Discontinuous Galerkin (DG) electronic structure method employs an adaptive local basis (ALB) set to solve the Kohn-Sham equations of density functional theory (DFT) in a discontinuous Galerkin framework. The adaptive local basis is…
We present a computationally efficient method to incorporate density-functional theory into the calculation of reflectivity in low-energy electron microscopy. The reflectivity is determined by matching plane waves representing the electron…
Bayesian methods for learning Gaussian graphical models offer a principled framework for quantifying model uncertainty and incorporating prior knowledge. However, their scalability is constrained by the computational cost of jointly…
Disclinations in a 2D sheet create regions of Gaussian curvature whose inversion produces a reconfigurable surface with many distinct metastable shapes, as shown by molecular dynamics of a disclinated graphene monolayer. This material has a…