Related papers: Structure and Vibrations of the Vicinal Copper (21…
Within the harmonic approximation, the effects of lattice vibration on the thermodynamics of nano-sized coherent clusters in bcc-Fe consisting of vacancies and/or copper are investigated. A combination of on-lattice simulated annealing…
We present a new mathematical framework for incorporating partial coherence effects into wave optics simulations through a comprehensive surface-to-detector approach. Unlike traditional ensemble averaging methods, our dual-component…
We study, by means of computer simulations, the crystal-melt interface of three different systems: hard-spheres, Lennard Jones and the TIP4P/2005 water model. In particular, we focus on the dynamics of surface waves. We observe that the…
Graphene on copper is a system of high technological relevance, as Cu is one of the most widely used substrates for the CVD growth of graphene. However, very little is known about the details of their interaction. One approach to gain such…
Lipid vesicles appear ubiquitously in biological systems. Understanding how the mechanical and intermolecular interations deform vesicle membrane is a fundamental question in biophysics. In this article we developed a fast algorithm to…
We evaluate the electronic self-energy Sigma(E) at an Al(111) surface using the GW space-time method. This self-energy automatically includes the image potential V_{im} not present in any local-density approximation for exchange and…
Stable structures of layered SnS and SnSe and their associated electronic and vibrational spectra are predicted using first-principles DFT calculations. The calculations show that both materials undergo a phase transformation upon thinning…
Higher-form symmetries are a valuable tool for classifying topological phases of matter. However, emergent higher-form symmetries in interacting many-body quantum systems are not typically exact due to the presence of topological defects.…
We calculate the quartet potential energy surface for Li+NH and use it to calculate elastic and spin-relaxation cross sections for collisions in magnetically trappable spin-stretched states. The potential is strongly anisotropic but…
We study the ground-state physics of a single-component Haldane model on a hexagonal two-leg ladder geometry with a particular focus on strongly interacting bosonic particles. We concentrate our analysis on the regime of less than one…
The results of a detailed study of the topological insulator Bi$_2$Se$_3$ surface state energy structure in the vicinity of surface steps using scanning tunneling microscopy and spectroscopy methods are presented. An increase in the…
Peculiar dynamics of a free surface of the superfluid 4He has been observed experimentally with a newly established technique utilizing a number of electrically charged fine metal particles trapped electrically at the surface by Moroshkin…
The 10-nm-scale structure in silicon cleavage is studied by the quantum mechanical calculations for large-scale electronic structure. The cleavage process on the order of 10 ps shows surface reconstruction and step formation. These…
Using agent-based simulations of self-propelled particles subject to short-range repulsion and nematic alignment we explore the dynamical phases of a dense active material confined to the surface of a sphere. We map the dynamical phase…
The effects of plateau width and step edge kinking on carbon monoxide (CO)-induced restructuring of platinum surfaces were explored using molecular dynamics (MD) simulations. Platinum crystals displaying four different vicinal surfaces…
This paper investigates faceting mechanisms induced by electromigration in the regime where atomic steps are transparent. For this purpose we study several vicinal orientations by means of in-situ (optical diffraction, electronic…
In laser-plasma interactions it is widely accepted that a non-uniform interaction surface will invariably seed hydrodynamic instabilities and a growth in the amplitude of the initial modulation. Recent experimental results [Dromey, Nat.…
In this paper we present the validation of our recently published mathematical model for the dynamics of Cosserat elastic plates. The validation is based on the comparison with the exact solution of the 3-dimensional Cosserat…
We use molecular simulation to construct equilibrium phase diagrams for two recently introduced model materials with isotropic, soft-repulsive pair interactions designed to favor diamond and simple cubic lattice ground states, respectively,…
Thin Ge layers deposited on Si(105) form a stable single-domain film structure with large terraces and rebonded-step surface termination, thus realizing an extended and ordered Ge/Si planar hetero-junction. At the coverage of four Ge…