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We have studied the role of an atomic 3He impurity and an interstitial 4He atom in two- and three-dimensional solid 4He using path integral Monte Carlo (PIMC) simulation. We find that when a substitutional 3He impurity is introduced, the…
We address the dynamics of adsorbed molecules (a fundamental issue in surface physics) within the framework of a Master Equation scheme, and study the diffusion of particles in a finite cubic lattice whose boundaries are at the $z=1$ and…
A consistent theory, which describes the incoherent scattering of classically moving relativistic particles by the nuclei of crystal planes without any phenomenological parameter is presented. The basic notions of quantum mechanics are…
Anomalous inter-layer atomic transport of deposited impurity atoms on Al(111) has been found by constant temperature molecular dynamics simulations. The low-energy deposition of Pt on Al(111) leads to oscillatory adsorbate-substrate…
The diffraction of fast atoms at crystal surfaces is ideal for a detailed investigation of the surface electronic density. However, instead of sharp diffraction spots, most experiments show elongated streaks characteristic of inelastic…
Cold atom optical lattices allow for the study of quantum localization and mobility edges in a disorder-free environment. We predict the existence of an Anderson-like insulator with sharp mobility edges in a one-dimensional nearly-periodic…
Atoms at liquid metal surfaces are known to form layers parallel to the surface. We analyze the two-dimensional arrangement of atoms within such layers at the surface of liquid sodium, using ab initio molecular dynamics (MD) simulations…
We report numerical results which show the achievement of net transport of self-propelled particles (SPP) in the presence of a two-dimensional regular array of convex, either symmetric or asymmetric, rigid obstacles. The repulsive…
We introduce a simple and efficient model to describe the potential energy surface of lithium diffusing in a solid-state ionic conductor. First, we assume that the Li atoms are fully ionized and we neglect the weak dependence of the…
The D$_1$ enigma is an anomaly, which was first observed on the Sun as a symmetric polarization peak centered in the core of the sodium D$_1$ line that is expected to be intrinsically unpolarizable. To resolve this problem the underlying…
The analytical solutions of the equations describing impurity diffusion due to migration of nonequilibrium impurity interstitials were obtained for the impurity redistribution during ion implantation at elevated temperatures and for…
We discuss the feasibility of the embedded cluster approach for it ab-initio calculations of charge exchange between ions and a LiF surface. We show that the discrete density of valence states in embedded clusters converges towards the…
The paper provides a tutorial to the conceptual layout of a self-consistently coupled Particle-In-Cell/Test-Particle model for the kinetic simulation of sputtering transport in capacitively coupled plasmas at low gas pressures. It explains…
We develop a first principles, microscopic theory of impurity atom scattering from inhomogeneous quantum liquids such as adsorbed films, slabs, or clusters of He-4. The theory is built upon a quantitative, microscopic description of the…
Long-range dipole-dipole interactions in subwavelength arrays of quantum emitters involve virtual photon exchange processes that impart forces on the emitters due to the imposed photon recoil. We perform a semi-classical analysis of the…
An infinite hierarchy of layering transitions exists for model polymers in solution under poor solvent or low temperatures and near an attractive surface. A flat histogram stochastic growth algorithm known as FlatPERM has been used on a…
The role of incoherent tunneling in the diffusion of light atoms on surfaces is investigated. With this purpose, a Chudley-Elliot master equation constrained to nearest neighbors is considered within the Grabert-Weiss approach to quantum…
The widely used Gross-Pitaevskii equation treats only coherent aspects of the evolution of a Bose-Einstein condensate. However, inevitably some atoms scatter out of the condensate. We have developed a method, based on the field theory…
The exact solution of the asymmetric exclusion problem with particles of first and second class is presented. In this model the particles (size 1) of both classes are attached on lattice points and diffuse with equal asymmetric rates, but…
In Couette flow, the liquid atoms adjacent to a solid substrate may have a finite average tangential velocity relative to the substrate. This so-called slip has been frequently observed. However, the particular molecular-level mechanisms…