Related papers: Two-bath model for activated surface diffusion of …
The repeated interaction model provides a framework for emulating and analyzing the dynamics of open quantum systems. We explore here the dynamics generated by this protocol in a system that is simultaneously coupled to two baths through…
Diffusion studies of adsorbates moving on a surface are often analyzed using 2D Langevin simulations. These simulations are computationally cheap and offer valuable insight into the dynamics, however, they simplify the complex interactions…
Molecular dynamics simulations are used to study the behavior of closely-fitting spherical and ellipsoidal particles moving through a fluid-filled cylinder at nanometer scales. The particle, the cylinder wall and the fluid solvent are all…
This paper deals with the condensation of liquid droplets on hydrophobic and hydrophilic surfaces. A stochastic mesoscale model based on the theory of fluctuating hydrodynamics and the thermodynamics of a diffuse interface approach shows…
In this paper we propose and validate a multiscale model for the description of particle diffusion in presence of trapping boundaries. We start from a drift-diffusion equation in which the drift term describes the effect of bubble traps,…
We characterize the optical response of a three-level atom subjected to an incoherent pump and continuously illuminated with a weak, quasi-resonant probe field. To this end, we apply a wavefunction approach based on QED Hamiltonian…
The properties of an unconventional, single mode phonon bath coupled to a quantum dot, are investigated within the rotating wave approximation. The electron current through the dot induces an out of equilibrium bath, with a phonon…
Controlling the spatial distribution of liquid droplets on surfaces via surface energy patterning can be used to control material delivery to specified regions via selective liquid/solid wetting. While studies of the equilibrium shape of…
The theory is presented for resonance interaction between two atoms in an excited configuration: one atom, the "receptor" of information (i.e. energy), adsorbed on a phospholipid surface and the other atom, the "emitter" of information…
We study the behavior of colloidal active particles interacting via steric repulsion in various quasi-1D geometries. We mainly focus on active particles with high P\'eclet number. We discuss 3 phenomena closely tied to those systems:…
Non-uniform product (color) distribution in colorimetric paper-based sensors affects the accuracy and reliability of measurements. The underlying mechanisms responsible for this are still unclear. The coffee ring effect explains the…
The behavior of colloidal particles with a hard core and a soft shell has attracted the attention for researchers in the physical-chemistry interface not only due the large number of applications, but due the unique properties of these…
We study the adsorption and desorption kinetics of interacting particles moving on a one-dimensional lattice. Confinement is introduced by limiting the number of particles on a lattice site. Adsorption and desorption are found to proceed at…
We investigate low-temperature dephasing in several model systems, where a quantum degree of freedom is coupled to a bath. Dephasing, defined as the decay of the coherence of inital non-equilibrium states, also influences the dynamics of…
Thermalization of a system in the presence of a heat bath has been the subject of many theoretical investigations especially in the framework of solid-state physics. In this setting, the presence of a large bandwidth for the frequency…
Collisions of atoms and molecules with metal surfaces create electronic excitations in the metal, leading to nonadiabatic energy dissipation, inelastic scattering, and sticking. Mixed quantum-classical molecular dynamics simulation methods,…
We present a one-dimensional model for diffusion in a fluctuating lattice; that is a lattice which can be in two or more states. Transitions between the lattice states are induced by a combination of two processes: one periodic…
The motion of molecules on solid surfaces is of interest for technological applications, but it is also a theoretical challenge. We study the deterministic and thermal diffusive dynamics of a dimer moving on a periodic substrate. The…
Diffraction patterns produced by fast He atoms grazingly impinging on a LiF(001) surface are investigated focusing on the influence of the beam collimation. Single- and double- slit collimating devices situated in front of the beam source…
Particle-based simulations are performed to study the post-relaxation dynamics of functionalized (patchy) colloids adsorbed on an attractive substrate. Kinetically arrested structures that depend on the number of adsorbed particles and the…