Related papers: Kinetics of Surface Enrichment: A Molecular Dynami…
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 adsorption at the interface between an aqueous solution of several surface-active agents and another fluid (air or oil) phase is addressed theoretically. We derive the kinetic equations from a variation of the interfacial free energy,…
The supra-molecular structure of a liquid is strongly connected to its dynamics which in turn controls macroscopic properties such as viscosity. Consequently, detailed knowledge about how this structure changes with temperature is essential…
A limited mobility nonequilibrium solid-on-solid dynamical model for kinetic surface growth is introduced as a simple description for the morphological evolution of a growing interface under random vapor deposition and surface diffusion…
We present a general model study of surface-enhanced resonant Raman scattering and fluorescence, focusing on the interplay between electromagnetic (EM) effects and the molecular dynamics as treated by a density matrix calculation. The model…
Due to the improvement of computer power and the development of efficient algorithms it is now possible to combine high-dimensional quantum dynamical calculations of the dissociative adsorption of molecular beams with reliable ab-initio…
A theoretical analysis of surface fluctuations of a freely standing thermotropic smectic-A liquid crystal film is provided, including the effects of viscous hydrodynamics. We find two surface dynamic modes (undulation and peristaltic). For…
Molecular Dynamics simulations of a coarse-grained bead-spring model of flexible macromolecules tethered with one end to the surface of a cylindrical pore are presented. Chain length $N$ and grafting density $\sigma$ are varied over a wide…
The coarsening dynamics of three-dimensional islands on a growing film is discussed. It is assumed that the origin of the initial instability of a planar surface is the Ehrlich-Schwoebel step-edge barrier for adatom diffusion. Two…
The dynamics of hydrogen bonds among water molecules themselves and with the polar head groups (PHG) at a micellar surface have been investigated by long molecular dynamics simulations. The lifetime of the hydrogen bond between a PHG and a…
This article experimentally investigates the exit dynamics of two different spheres i.e. a smooth sphere and a sphere with dimples at a constant speed. Employing high-speed experimental observations, the study investigates the key…
Molecular dynamics simulations of SPC/E water confined in a Silica pore are presented. The simulations have been performed at different hydration levels and temperatures to study the single-particle dynamics. Due to the confinement and to…
To better understand protein-solvent interaction we have analyzed a variety of physical and geometrical properties of the solvent-excluded surfaces (SESs) over a large set of soluble proteins with crystal structures. We discover that all…
We analyze differences in dynamics and in properties of the sampled potential energy landscape between different equilibrium trajectories, for a system of rigid water molecules interacting with a two body potential. On entering in the…
Recent mathematical fluid dynamics models have shed light into an outstanding problem in reproductive biology: why do spermatozoa cells show a 'preference' for swimming near to surfaces? In this paper we review quantitative approaches to…
We present a comprehensive analysis of a linear growth model, which combines the characteristic features of the Edwards--Wilkinson and noisy Mullins equations. This model can be derived from microscopics and it describes the relaxation and…
We study the wetting properties of water on silica surfaces using molecular dynamics (MD) simulations. To describe the intermolecular interaction between water and silica atoms, two types of interaction potential models are used: the…
As an introductory lecture to the workshop an overview is given over continuum models for homoepitaxial surface growth using partial differential equations (PDEs). Their {\em heuristic derivation} makes use of inherent symmetries in the…
We consider stochastic particle dynamics on hypersurfaces represented in Monge gauge parametrization. Starting from the underlying Langevin system, we derive the surface Dean-Kawasaki (DK) equation and formulate it in the martingale sense.…
Here we propose a kinetic framework for interpreting the Stokes-Einstein (SE) relation breakdown in supercooled liquids by introducing an effective collision diameter, $d_{\mathrm{eff}}$, derived from transport data. Numerical simulation of…