Related papers: Nano-pore based characterization of branched polym…
We consider the escape of a flexible, self-avoiding polymer chain out of a confined geometry. By means of simulations, we demonstrate that the translocation time can be described by a simple scaling law that exhibits a nonlinear dependence…
We propose a numerical tool to mimic the pulsed deposition of nanoparticles, a technique used to fabricate thin films from the deposition of nanoparticles upon a substrate. We employ such tool under different initial conditions, in…
Polymeric single-chain nanoparticles (SCNPs) are soft nano-objects synthesized by purely intramolecular cross-linking of single polymer chains. By means of computer simulations, we investigate the conformational properties of SCNPs as a…
The diffusion of molecules (penetrants) of variable size, shape, and chemistry through dense crosslinked polymer networks is a fundamental scientific problem that is broadly relevant in materials, polymer, physical and biological chemistry.…
This work examines field theories for RNA-like polymers with single strand and double strand polymers and a periodic base sequence. These field theories originate from lattice models, describe polymers in a good solvent, and in principle…
We determine the distribution of free ends and the monomer insertion potential in the strongly-stretched limit for regularly and statistically branched polymer brushes. We find that the end density flattens in the limit of very strong…
We analyze conformational properties of branched polymer structures, formed on the base of Erd\"os-R\'enyi random graph model. We consider networks with $N=5$ vertices and variable parameter $c$, that controls graph connectedness. The…
In this paper, we investigate a stochastic model describing the time evolution of a polymerization process. A polymer is a macro-molecule resulting from the aggregation of several elementary sub-units called monomers. Polymers can grow by…
We study the adsorption-desorption phase transition of directed branched polymer in $d+1$ dimensions in contact with a line by mapping it to a $d$ dimensional hard core lattice gas at negative activity. We solve the model exactly in 1+1…
We consider the dynamics of pore-driven polymer translocation through a nanopore to semi-infinite space when the chain is initially confined and equilibrated in a narrow channel. To this end, we use Langevin dynamics (LD) simulations and…
Channel formation and branching is widely seen in physical systems where movement of fluid through a porous structure causes the spatiotemporal evolution of the medium in response to the flow, in turn causing flow pathways to evolve. We…
Spatial distributions are presented that quantitatively capture how polymer properties (e.g., segment alignment, density, and potential energy) vary with distance from nascent polymer crystals (nuclei) in prototypical polyethylene melts. It…
We establish an exact relation between self-avoiding branched polymers in D+2 continuum dimensions and the hard-core continuum gas at negative activity in D dimensions. We review conjectures and results on critical exponents for D+2 = 2,3,4…
We study a simple model of conducting polymers in which a single electron propagates through a randomly tangled chain. The model has the geometry of a small-world network, with a small density $p$ of crossings of the chain acting as…
We investigate the influence of varying confinement on the dynamics of polymer translocation through a cone shaped channel. For this, a linear polymer chain is modeled by a self voiding walks (SAWs) on a square lattice. The cis-side of a…
The structure of a polystyrene matrix filled with tightly cross-linked polystyrene nanoparticles, forming an athermal nanocomposite system, is investigated by means of a Monte Carlo sampling formalism. The polymer chains are represented as…
We develop a simulational methodology allowing for simulation of the pressure-driven flow in the pore with flat and polymer-modified walls. Our approach is based on dissipative particle dynamics and we combine earlier ideas of fluid-like…
In a recent letter, a simple method was proposed to generate solvable models that predict the critical properties of statistical systems in hyperspherical geometries. To that end, it was shown how to reduce a random walk in $D$ dimensions…
We develop a model to describe the properties of random assemblies of polydisperse hard spheres. We show that the key features to describe the system are (i) the dependence between the free volume of a sphere and the various coordination…
In this article we discuss a set of geometric ideas which shed some light on the question of directed polymer pinning in the presence of bulk disorder. Differing from standard methods and techniques, we transform the problem to a particular…