相关论文: Modelling of amorphous polymer surfaces in compute…

Predicting the large-amplitude deformations of thin elastic sheets is difficult due to the complications of self-contact, geometric nonlinearities, and a multitude of low-lying energy states. We study a simple two-dimensional setting where…

Continuum Monte-Carlo simulations at constant pressure are performed on short chain molecules at surfaces. The rodlike chains, consisting of seven effective monomers, are attached at one end to a flat twodimensional substrate. It is found…

We present few ordering mechanisms in block copolymer melts in the coarse-graining approach. For chemically homogeneous or modulated confining surfaces, the surface ordering is investigated above and below the order-disorder temperature. In…

The formation of periodic wrinkles in soft layered materials due to mechanical instabilities is prevalent in nature and has been proposed for use in multiple applications. However, such phenomena have been explored predominantly in…

We study the properties of a polycarbonate melt near a nickel surface as a model system for the interaction of polymers with metal surfaces by employing a multiscale modeling approach. For bulk properties a suitably coarse grained bead…

The time evolution of the pore size distributions and mechanical properties of amorphous solids at constant pressure is studied using molecular dynamics simulations. The porous glasses were initially prepared at constant volume conditions…

We have performed multicanonical chain-growth simulations of a polymer interacting with an adsorbing surface. The polymer, which is not explicitly anchored at the surface, experiences a hierarchy of phase transitions between conformations…

Direct comparison is made of the steady-sates and coarsening dynamics in a local system and its nonlocal generalization. The example system is the surface of a solid film in a strong electric field; the morphological evolution of the…

Interfaces are a most common motif in complex systems. To understand how the presence of interfaces affect hydrophobic phenomena, we use molecular simulations and theory to study hydration of solutes at interfaces. The solutes range in size…

In this paper we present simulations of a surface-adsorbed polymer subject to an elongation force. The polymer is modelled by a self-avoiding walk on a regular lattice. It is confined to a half-space by an adsorbing surface with attractions…

This paper generalizes existing approaches for free-surface wave damping via momentum sinks for flow simulations based on the Navier-Stokes equations. It is shown in 2D flow simulations that, to obtain reliable wave damping, the…

The irreversible adsorption of polymers to a two-dimensional solid surface is studied. An operator formalism is introduced for chemisorption from a polydisperse solution of polymers which transforms the analysis of the adsorption process to…

We study statistical copolymerization effects on the upper critical solution temperature (CST) of generic homopolymers by means of coarse-grained Langevin dynamics computer simulations and mean-field theory. Our systematic investigation…

The hydrodynamic stability behaviour of a two-layer falling film is explored with a floating flexible plate on the top surface. The stress balance at the surface is modeled using a modified membrane equation. There is an insoluble…

Soft matter systems are common in nature and make up nearly all the essential components necessary for life, from cells to the organelles within those cells. The ability of these soft materials to deform is crucial for the proper…

Classical descriptions of flapping propulsion near a free surface emphasize the energetic penalties of wave generation, treating the interface primarily as an energy sink. Here, we show that the same deformable boundary can also act as a…

We study a model for the movement of surfaces, namely the conserved, restricted solid-on-solid model. The surface configurations are restricted such that the difference between the heights at adjacent sites is no more than one. In addition…

We use numerical simulations to understand how random deviations from the ideal spherical shape affect the ability of hard particles to form fcc crystalline structures. Using a system of hard spheres as a reference, we determine the…

We have studied the structure and free energy landscape of a semi-flexible lattice-polymer in the presence of a surface. At low temperatures coexistence of two-dimensional integer-folded crystals is observed. As the temperature is increased…

We study the elastic response of bilayer membranes with fixed projected area to both stretching and shape deformations. A surface tension is associated to each of these deformations. By using model amphiphilic membranes and computer…