Related papers: Surface Transitions for Confined Associating Mixtu…
Model chains are studied via Monte Carlo simulations which are deposited with a fixed flux on a substrate. They may represent, e.g., stiff lipophilic chains with an head group and tail groups mimicking the alkyl chain. After some subsequent…
We carried out three-dimensional simulations, with about 1.4 million particles, of phase segregation in a low density binary fluid mixture, described mesoscopically by energy and momentum conserving Boltzmann-Vlasov equations. Using a…
Ionic liquids have generated interest in applications as lubricants and as additives to conventional lubricants due to their unique physical properties. In these applications, the liquid thin film can be subjected simultaneously to…
We study the liquid-solid transition in a collection of interacting particles moving through a dissipative medium under the action of a constant, spatially uniform external force, e.g. a charge-stabilized suspension in a fluidized bed or a…
Dynamic phase transition phenomena in ultrathin films described by Blume-Capel model have been investigated using Monte Carlo simulations. Hysteresis loops, micromagnetic structures, and hysteresis loop area curves, as well as dynamic…
Recent experiments of thin films flowing down a vertical fiber with varying nozzle diameters present a wealth of new dynamics that illustrate the need for more advanced theory. We present a detailed analysis using a full lubrication model…
Two decades of experimental research indicates that spatial confinement of glass-forming molecular and polymeric liquids results in major changes of their slow dynamics beginning at large confinement distances. A fundamental understanding…
Polymer-coated pores play a crucial role in nucleo-cytoplasmic transport and in a number of biomimetic and nanotechnological applications. Here we present Monte Carlo and Density Functional Theory approaches to identify different collective…
We study the effects of confinement between two parallel walls on a two dimensional fluid with competing interactions which lead to the formation of particle micro-domains at the thermodynamic equilibrium (microphases or microseparation).…
Particles confined in droplets are called compound particles. They are encountered in various biological and soft matter systems. Hydrodynamics can play a decisive role in determining the configuration and stability of these multiphase…
Extensive Monte Carlo simulations of helium-4 monolayer films adsorbed on weak substrates have been carried out, aimed at ascertaining the possible occurrence of a quasi-two-dimensional supersolid phase. Only crystalline films not…
We describe a Monte Carlo procedure which allows sampling of the disjoint configuration spaces associated with crystalline and fluid phases, within a single simulation. The method utilises biased sampling techniques to enhance the…
The liquid-liquid phase separation of a binary solvent can be arrested by colloidal particles trapped at the interface [K. Stratford et al., Science 309, 5744 (2005)]. We show experimentally that the colloidal network so formed can remain…
We present a grand canonical Monte Carlo simulation study of the phase diagram of a Lennard-Jones fluid adsorbed in a fractal and highly porous aerogel. The gel environment is generated from an off-lattice diffusion limited cluster-cluster…
In this work we present the general phase behavior of short tubelike flexible polymers. The geometric thickness constraint is implemented through the concept of the global radius of curvature. We use sophisticated Monte Carlo sampling…
Fluid polyamorphism, the existence of multiple amorphous fluid states in a single-component system, has been observed or predicted in a variety of substances. A remarkable example of this phenomenon is the fluid-fluid phase transition in…
A system of two self and mutual interacting ring polymers, close together in space, can display several competing equilibrium phases and phase transitions. Using Monte Carlo simulations and combinatorial arguments on a corresponding lattice…
Monte Carlo simulations were employed to study two charged rods confined between two unlike charged plates, all immersed in a model electrolyte. Recently, it was shown that two rods immersed in a multivalent counterion solution may show…
The recent discovery of pure boron nanotubes raises questions about their detailed atomic structure. Previous simulations predicted tubular structures with smooth or puckered surfaces. Here, we present some novel results based on ab initio…
The ground state of colloidal magnetic particles in a modulated channel are investigated as function of the tilt angle of an applied magnetic field. The particles are confined by a parabolic potential in the transversal direction while in…