Related papers: Foundations of ab initio simulations of electric c…
The evaluation of produced items at the time of delivery is, in practice, usually amended by at least one inspection at later time points. We extend the methodology of acceptance sampling for variables for arbitrary unknown distributions…
The physical processes at the interface of a low-temperature plasma and a solid are extremely complex. They involve a huge number of elementary processes in the plasma, in the solid as well as charge, momentum and energy transfer across the…
Several results related to flat Friedmann-Lema\^{\i}tre-Robertson-Walker models in the conformal (Einstein) frame of scalar-tensor gravity theories are extended. Scalar fields with arbitrary (positive) potentials and arbitrary coupling…
Phase-field approaches to fracture based on energy minimization principles have been rapidly gaining popularity in recent years, and are particularly well-suited for simulating crack initiation and growth in complex fracture networks. In…
We study the potential and the charge distribution across the interface of a plasma and a dielectric wall. For this purpose, the charge bound to the wall is modelled as a quasi-stationary electron surface layer which satisfies Poisson's…
Surfaces of ionic solids interacting with an ionic solution can build up charge by exchange of ions. The surface charge is compensated by a strip of excess charge at the border of the electrolyte forming an electric double layer. These…
The failure of roughness parameters to predict surface properties stems from their inherent scale-dependence; in other words, the measured value depends on the way it was measured. Here we take advantage of this scale-dependence to develop…
Strong ($10^{10}$ V/m) electric fields capable of inducing atomic bond-breaking represent a powerful tool for surface chemistry. However, their exact effects are difficult to predict due to a lack of suitable tools to probe their associated…
Chemical adsorption of the species at semiconductor surfaces is analyzed showing the existence of the two contributions to adsorption energy: bond creation and charge transfer. It is shown that the energy of quantum surface states is…
Without our ability to model and manipulate the band structure of semiconducting materials, the modern digital computer would be impractically large, hot, and expensive. In the undergraduate QM curriculum, we studied the effect of spatially…
The basic properties of point defects (atomic geometry, the position of charge-transfer levels, and formation energies) on the (110) surface of GaAs, GaP, and InP have been calculated employing density-functional theory. Based on these…
Platinum step edges dominate electrocatalytic activity in fuel cells and electrolysers, yet their atomistic electrochemical behaviour remains poorly understood. Here, we employ \textit{ab initio} molecular dynamics under controlled…
Although free electron models have been established in order to capture the essential physics of interfacial and bulk properties in metals, some issues still remain regarding the application of free electron models to thin metal films. One…
A method is presented which allows to obtain the position-dependent electric field and charge density by fits to velocity profiles from edge-TCT data from silicon strip-detectors. The validity and the limitations of the method are…
A generalization of the mean-field approach will be derived that will take into account the ion-ion as well as ion-surface non-electrostatic effects on an equal footing, being based on the bulk and surface equations of state in the absence…
Using the specific model of a system of like charged ions confined between two planar like charged surfaces, we compare the predictions for the energy and density profile of four simulation methods available to treat the long range Coulomb…
Surface properties of mixtures of charged platelike colloids and salt in contact with a charged planar wall are studied within density functional theory. The particles are modeled by hard cuboids with their edges constrained to be parallel…
Electromagnetic metasurfaces offer the capability to realize almost arbitrary power conserving field transformations. These field transformations are governed by the generalized sheet transition conditions, which relate the tangential…
The electrostatic potential in the flat superconducting slab is evaluated in the framework of the Ginzburg-Landau theory extended by Bardeen to low temperatures. For magnetic fields below B_c1, we discuss the formation of a surface charge…
For a wide class of noninteracting tight-binding models in one dimension we present an analytical solution for all scattering and edge states on a half-infinite system. Without assuming any symmetry constraints we consider models with…