Related papers: Chain conformations in adsorbed layer during polym…
Nonequilibrium molecular dynamics simulations are used to study the shear thinning behavior of immiscible symmetric polymer blends. The phase separated polymers are subjected to a simple shear flow imposed by moving a wall parallel to the…
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…
We use computer simulations to study the relaxation of strongly deformed highly entangled polymer melts in the non-linear viscoelastic regime, focusing on anisotropic chain conformations after isochoric elongation. The Doi-Edwards tube…
We systematically explore the self-assembly of semi-flexible polymers in deformable spherical confinement across a wide regime of chain stiffness, contour lengths and packing fractions by means of coarse-grained molecular dynamics…
We present the results of molecular dynamics computer simulations of a binary Lennard-Jones liquid confined between two parallel rough walls. These walls are realized by frozen amorphous configurations of the same liquid and therefore the…
Our understanding of both structure and dynamics of adsorbed liquids heavily relies on the capillary wave Hamiltonian, but a thorough test of this model is still lacking. Here we study the capillary wave fluctuations of a liquid film with…
We present simulation results for the contact process on regular, cubic networks that are composed of a one-dimensional lattice and a set of long edges with unbounded length. Networks with different sets of long edges are considered, that…
We numerically study the wetting (adsorption) transition of a polymer chain on a disordered substrate in 1+1 dimension.Following the Poland-Scheraga model of DNA denaturation, we use a Fixman-Freire scheme for the entropy of loops. This…
The motion of a long gas bubble in a confined capillary tube is ubiquitous in a wide range of engineering and biological applications. While the understanding of the deposited thin viscous film near the tube wall in Newtonian fluids is well…
Plants and insects use slender conical structures to transport and collect small droplets, which are propelled along the conical structures due to capillary action. These droplets can deposit a fluid film during their motion, but despite…
The capillary-induced structural instability of an elastic circular tube partially filled by a liquid is studied by combining theoretical analysis and molecular dynamics simulations. The analysis shows that, associated with the instability,…
We analyze equilibrium properties and adsorption desorption phase transition behaviour of a linear semiflexible copolymer chain under constrained geometrical situation on square lattice in a good solvent. One dimensional stair shaped line…
A mathematical model for the evolution of, and deposition from, a thin particle-laden droplet on an infinitely thick, isotropic, flooded, porous substrate with interconnected pores undergoing simultaneous evaporation and imbibition is…
The hysteretic behavior exhibited by collagen fibrils, when subjected to cyclic loading, is known to result in both dissipation as well as accumulation of residual strain. On subsequent relaxation, partial recovery has also been reported.…
Monte Carlo simulations using an explicit solvent model indicate a new pathway for translocation of a polymer chain through a lipid bilayer. We consider a polymer chain composed of repeat units with a given hydrophobicity and a…
In this study, we investigate the suitability of dissipative particle dynamics (DPD) simulations to predict the dynamics of polymer chains in dilute polymer solutions, where the chain is represented by a set of beads connected by almost…
Lattice model of directed self avoiding walk is used to investigate adsorption properties of a semiflexible sequential copolymer chain on an impenetrable curved surface on a hexagonal lattice in two dimensions. Walks of the copolymer chains…
Chemical reactions inside cells are typically subject to the effects both of the cell's confining surfaces and of the viscoelastic behavior of its contents. In this paper, we show how the outcome of one particular reaction of relevance to…
We investigate the time evolution of an initial step profile separating a bare substrate region from the rest of the compressively strained adsorbate layer near a commensurate to incommensurate transition. The rate of profile evolution as a…
Constitutive equations are derived for the time-dependent behavior of particle-reinforced elastomers at isothermal loading with finite strains. A rubbery polymer is modelled as a network of macromolecules bridged by junctions which can slip…