Related papers: Systematic study of confinement induced effects on…
We recast the problem of hydrogel swelling under physical constraints as an energy optimization problem. We apply this approach to compute equilibrium shapes of hydrogel spheres confined within a jammed matrix of rigid beads, and interpret…
Solid state physics deals with systems composed of atoms with strongly bound electrons. The tunneling probability of each electron is determined by interactions that typically extend to neighboring sites, as their corresponding wave…
We introduce an efficient finite-element approach for large-scale real-space pseudopotential density functional theory (DFT) calculations incorporating noncollinear magnetism and spin-orbit coupling. The approach, implemented within the…
This paper presents two approaches: the virtual element method (VEM) and the stabilization-free virtual element method (SFVEM) for analyzing thermomechanical behavior in electronic packaging structures with geometric multi-scale features.…
We present an efficient computational approach to perform real-space electronic structure calculations using an adaptive higher-order finite-element discretization of Kohn-Sham density-functional theory (DFT). To this end, we develop an…
Considering the increasing number of experimental results in the manufacturing process of quantum dots with different geometries, and the fact that most numerical methods that can be used to investigate quantum dots with non-trivial…
Closed analytical formulas are derived for the differential and total cross sections of the non-relativistic photoelectric effect in the three main classes of few-electron atomic systems: (1) neutral atoms and positively charged atomic ions…
Experiments using polarized $^{3}He$ atom beams to search for short range spin dependent forces are proposed. High intensity, high polarization, small beam size $^{3}He$ atom beams have been successfully produced and used in surface science…
Colloid or nanoparticle mobility under confinement is of central importance to a wide range of physical and biological processes. Here, we introduce a minimal model of particles in a hydrodynamic continuum to examine how particle shape and…
A new reference state for density functional theory, termed the independent atom ansatz, is introduced in this work. This ansatz allows for the exact representation of electron density in terms of non-interacting, atom-localized orbitals.…
We develop an all-hex meshing strategy for the interstitial space in beds of densely packed spheres that is tailored to turbulent flow simulations based on the spectral element method (SEM). The SEM achieves resolution through elevated…
Normal contact behaviour between non adhesive fractal rough particles is studied using a finite element method (FEM). A series of spherical grain surfaces with distinguished roughness features are generated by means of Spherical Harmonics.…
There is a long-standing question about the molecular configuration of interfacial water molecules in the proximity of solid surfaces, particularly carbon atoms which play a crucial role in electrochemistry and biology. In this study, the…
We present numerical tests of the Virtual Element Method (VEM) tailored for the discretization of a three dimensional Poisson problem with high-order "polynomial" degree (up to $p=10$). Besides, we discuss possible reasons for which the…
The quantum states of a system of particles in a finite spatial domain in general consist of a set of discrete energy eigenvalues; these are usually grouped into bunches of degenerate or close-lying levels, called shells. In fermionic…
We extend our ensemble density functional approach to quantum Hall systems to include non-collinear spins to study charge-spin textures in inhomogeneous quantum Hall systems. We have studied the edge reconstruction in quantum dots at unit…
In a recent article [M. Olshanii, Phys. Rev. Lett. {\bf 81}, 938 (1998)], an analytic solution of atom-atom scattering with a delta-function pseudopotential interaction in the presence of transverse harmonic confinement yielded an effective…
We theoretically analyze the possibility to confine electrons in single-layer graphene with the help of metallic gates, via the evaluation of the density of states of such a gate-defined quantum dot in the presence of a ring-shaped metallic…
The spectra of quantum dots of different geometry (``quantum ring'', ``quantum cylinder'', ``spherical square-well'' and ``parabolic confinement'') are studied. The stochastic variational method on correlated Gaussian basis functions and a…
We have studied theoretically the effect of a tuneable lateral confinement on two-dimensional hole systems realised in III-V semiconductor heterostructures. Based on the 4x4 Luttinger description of the valence band, we have calculated…