Related papers: Kinetics of Surface Enrichment: A Molecular Dynami…
We study the hydrodynamics of a freely-standing smectic-A film in the isothermal, incompressible limit theoretically by analyzing the linearized hydrodynamic equations of motion with proper boundary conditions. The dynamic properties for…
Cell monolayers are a central model system to tissue biophysics. In vivo, epithelial tissues are curved on the scale of microns, and curvature's role in the onset of spontaneous tissue flows is still not well-understood. Here, we present a…
Nanoscale topographic features of solid surfaces can induce complex metastable behavior in colloidal and multiphase systems. Recent studies on single microparticle adsorption at liquid interfaces have reported a crossover from fast…
For a parabolic surface partial differential equation coupled to surface evolution, convergence of the spatial semidiscretization is studied in this paper. The velocity of the evolving surface is not given explicitly, but depends on the…
We have studied the segregation of P and B impurities during oxidation of the Si(100) surface by means of combined static and dynamical first-principles simulations based on density functional theory. In the bare surface, dopants segregate…
Recent work has demonstrated the strong qualitative differences between the dynamics near a glass transition driven by short-ranged repulsion and one governed by short-ranged attraction. Here, we study in detail the behavior of non-linear,…
We analyze the displacements of the particles of a glass-forming molecular liquid perpendicular to a confining solid surface, using extensive molecular dynamics simulations with atomistic models. In the vicinity of an attractive surface,…
We report a molecular dynamics study of the contact between a rigid solid with a randomly rough surface and an elastic block with a flat surface. We study the contact area and the interfacial separation from small contact (low load) to full…
Molecular Dynamics simulations of high density hard sphere fluids clearly show a breakdown of the Stokes-Einstein equation (SE). This result has been conjectured to be due to the presence of mobile particles, i.e., ones which have the…
Saturated random sequential adsorption packings built of two-dimensional ellipses, spherocylinders, rectangles, and dimers placed on a one-dimensional line are studied to check analytical prediction concerning packing growth kinetics [A.…
Recent observations of the growth of protein crystals have identified two different growth regimes. At low supersaturation, the surface of the crystal is smooth and increasing in size due to the nucleation of steps at defects and the…
Heterogeneous ice growth exhibits a maximum in freezing rate arising from the competition between kinetics and the thermodynamic driving force between the solid and liquid states. Here, we use molecular dynamics simulations to elucidate the…
The origin of the dramatic changes in the behavior of liquids as they approach their vitreous state - increases of many orders of magnitude in transport properties and dynamic time scales - is a major unsolved problem in condensed matter.…
We study active surface wetting using a minimal model of bacteria that takes into account the intrinsic motility diversity of living matter. A mixture of "fast" and "slow" self-propelled Brownian particles is considered in the presence of a…
The exciton dynamics in a molecular heterodimer is studied as a function of differences in excitation and reorganization energies, asymmetry in transition dipole moments and excited state lifetimes. The heterodimer is composed of two…
Adsorption of small amphiphilic molecules occurs in various biological and technological processes, sometimes desired, the other times unwanted (e.g., contamination). Surface-active molecules preferentially bind to interfaces and affect…
In the current work we present a new modelling approach for simulating meso-scopic phenomena related to lubrication of the piston ring-cylinder liner contact. Our geometry allows a variable confinement gap and a varying amount of lubricant…
Emergent phenomena share the fascinating property of not being obvious consequences of the design of the system in which they appear. This characteristic is no less relevant when attempting to simulate such phenomena, given that the outcome…
We use \textit{ab initio} molecular dynamics simulations to investigate the properties of the dry surface of pure silica and sodium silicate glasses. The surface layers are defined based on the atomic distributions along the direction…
Computer simulations and scaling theory are used to investigate the damping of oscillations during epitaxial growth on high-symmetry surfaces. The crossover from smooth to rough growth takes place after the deposition of (D/F)^\delta…