Related papers: Kinetics of Surface Enrichment: A Molecular Dynami…
We study the role of active coupling on the transport properties of homogeneously charged macromolecules in an infinitely dilute solution. An enzyme becomes actively bound to a segment of the macromolecule, exerting an electrostatic force…
Using molecular dynamic simulations we study a system of particles interacting through a continuous core-softened potentials consisting of a hard core, a shoulder at closest distances and an attractive well at further distance. We obtain…
Substrate disorder effects on the scaling properties of growing crystalline surfaces in solidification or epitaxial deposition processes are investigated. Within the harmonic approach there is a phase transition into a low-temperature…
We use state-of-the-art molecular dynamics simulations to study hydrodynamic effects on aging during kinetics of phase separation in a fluid mixture. The domain growth law shows a crossover from a diffusive regime to a viscous hydrodynamic…
There are three fundamental physical processes that gives rise to the morphology of a surface: deposition, surface diffusion and desorption. The characteristics of the interfaces generated by the combination of deposition and surface…
We use a density functional approach to calculate the contact angle of the water model on a heterogeneous, graphite-like surface. The surface heterogeneity results from the pre-adsorption of a layer of spherical species. The pre-adsorbed…
We investigate the growth of a film of some element B on a substrate made of another substrance A in a model of molecular beam epitaxy. A vertical exchange mechanism allows the A-atoms to stay on the growing surface with a certain…
The friction and adhesion between elastic bodies are strongly influenced by the roughness of the surfaces in contact. Here we develop a multiscale molecular dynamics approach to contact mechanics, which can be used also when the surfaces…
Parallel Molecular Dynamics simulations are conducted for describing growth on surfaces with different kind of roughness: a perfect ordered crystalline flat graphite surface, a disordered rough graphite surface and flat surface with an…
In this communication we introduce a pair of coupled continuum equations to model overlayer growth with evaporation-accretion due to thermal or mechanical agitations of the substrate. We gain insight into the dynamics of growth via one-loop…
The electro-hydrodynamics near conducting walls is revisited. Attention is focused on the impact of an explicit diffuse Stern layer, which permittivity and viscosity differ from the bulk values, on the velocity of an electro-osmotic plug…
We study self-replicating molecules under externally varying conditions. Changing conditions such as temperature variations and/or alterations in the environment's resource composition lead to both non-constant replication and decay rates…
We show from numerical simulations that a limited mobility solid-on-solid model of kinetically rough surface growth exhibits extended self-similarity analogous to that found in fluid turbulence. The range over which scale-independent…
Multivalent binding employs multiple simultaneous supramolecular interactions, increasing avidity and selectivity compared with monovalent binding. While equilibrium aspects of multivalency are well characterized, non-equilibrium behavior…
We examine the force between two charged surfaces immersed in aqueous mixtures having a coexistence curve. For a homogeneous water-poor phase, as the distance between the surfaces is decreased, a water-rich phase condenses at a distance…
We investigate the scaling properties of the interface fluctuation width for the $Q$-mer and $Q$-particle-correlated deposition-evaporation models. These models are constrained with a global conservation law that the particle number at each…
The influence of periodic and random surface textures on the flow structure and effective slip length in Newtonian fluids is investigated by molecular dynamics (MD) simulations. We consider a situation where the typical pattern size is…
Si1-xGex/Si1-yGey/Si(100) heterostructures grown by Molecular Beam Epitaxy (MBE) were used in order to study B surface segregation during growth and B lattice diffusion. Ge concentration and stress effects were separated. Analysis of B…
The phenomenon of salt creeping along a free surface remains only partially understood, particularly with respect to its dynamics. In this work, combining a theoretical model with controlled experiments, we identify three distinct kinetic…
Hydrodynamic behavior at the vicinity of a confining wall is closely related to the friction properties of the liquid/solid interface. Here we consider, using Molecular Dynamics simulations, the electric contribution to friction for charged…