Related papers: Polyelectrolyte Knot Delocalization Induced by Cou…
We consider the probability of knotting in equilateral random polygons in Euclidean 3-dimensional space, which model, for instance, random polymers. Results from an extensive Monte Carlo dataset of random polygons indicate a universal…
Interplay of Coulomb interaction energy, free ion entropy, and conformational elasticity is a fascinating aspect in polyelectrolytes (PEs). We develop a theory for complexation of two oppositely charged PEs, a process known to be the…
We investigate electrostatic stability of charged droplets, modeled as permeable, charged spheres, and their encapsidation in thin, arbitrarily charged nano-shells, immersed in a neutralizing asymmetric electrolyte background. The latter…
Structural and thermodynamic properties of the model solution containing charged oligomers and the equivalent number of counterions were studied by means of the canonical Monte Carlo simulation technique. The oligomers are represented as…
A lattice of uniformly charged, infinitesimally thin, rods decorated with an ordered array of counterions exhibits anomalous behavior as the spacing between the rods is varied. In particular, the counterion lattice undergoes a sequence of…
We demonstrate that a highly charged polyelectrolyte confined in a spherical cavity undergoes reversible transformations between amorphous conformations to a four-fold symmetry morphology as a function of dielectric mismatch between the…
The cavitation flow of linear-polymer solutions around a cylinder is studied by performing a large-scale molecular dynamics simulation. The addition of polymer chains remarkably suppresses the cavitation. The polymers are stretched into a…
Anderson localization1 in a random system is sensitive to a distance dependence of the excitation transfer amplitude V(r). If V(r) decreases with the distance r slower than 1/r^d in a d-dimensional system then all excitations are…
Molecular dynamics simulations were performed for a polymer melt. In quiescent states, the inter-chain interaction energy supported by each particle takes relatively large values persistently for long times if the particle is close to an…
Similarly-charged polymers in solution, known as polyelectrolytes, are known to form aggregated structures in the presence of oppositely charged counterions. Understanding the dependence of the equilibrium phases and the dynamics of the…
This paper details a series of experiments in searching for minimal energy configurations for knots and links using the computer program KnotPlot. The most interesting phenomena found in these experiments is the dependence of the…
We study the geometry of interacting knotted solitons. The interaction is local and advances either as a three-body or as a four-body process, depending on the relative orientation and a degeneracy of the solitons involved. The splitting…
Entangled granular systems exhibit mechanical rigidity and resistance to deformation, reminiscent of cohesive materials, due to their reduced degrees of freedom and contact friction. A quantitative understanding of how classical granular…
The current interest in compositionally complex alloys including so called high entropy alloys has caused renewed interest in the general problem of solute hardening. It has been suggested that this problem can be addressed by treating the…
This chapter deals with charged polymers (polyelectrolytes) in solution and at surfaces. The behavior of polyelectrolytes is markedly different from that of neutral polymers. In bulk solutions, i.e. disregarding the surface effect, there…
The plastic deformation of crystalline and other heterogeneous materials often manifests in stochastic intermittent events indicating the criticality of plastic behavior. Previous studies demonstrated that the presence of short-ranged…
We present a short overview over recent MD simulations of systems of fully flexible polyelectrolyte chains with explicitly treated counter ions using the full Coulomb potential. The main emphasis is given on the conformational properties of…
We present a simple model for the possible mechanism of appearance of attraction between like charged polyions inside a polyelectrolyte solution. The attraction is found to be short ranged, and exists only in presence of multivalent…
We investigate end-effects in the ion distribution around strongly charged, flexible polyelectrolytes with a quenched charge distribution by molecular dynamics simulations of dilute polyelectrolyte solutions. We take the counterions…
Active polymers possess numerous unique properties that are quite different from those observed in the system of small active molecule due to the intricate interplay between their activity and topological constraints. This study focuses on…