Related papers: Polyelectrolyte Knot Delocalization Induced by Cou…
Colloidal suspensions and polyelectrolyte solutions containing multivalent counterions can exhibit some very counter-intuitive behavior usually associated with the low temperature physics. There are two particularly striking phenomena…
The article presents a comprehensive study of counterion dynamics around a generic linear polyelectrolyte (PE) chain with the help of coarse-grained computer simulations. The ion-chain coupling is discussed in the form of binding time,…
Probably the most natural energy functional to be considered for knotted strings is the one given by the electrostatic repulsion. In the absence of counter-charges, a charged, knotted string evolving along the energy gradient of…
We use coarse-grained Monte Carlo simulations to study the elastic properties of charged membranes in solutions of monovalent and pentavalent counterions. The simulation results of the two cases reveal trends opposite to each other. The…
Simulations in which a globular ring polymer with delocalized knots is separated in two interacting loops by a slipping link, or in two non-interacting globuli by a wall with a hole, show how the minimal crossing number of the knots…
This paper visualizes a knot reduction algorithm
We study the electric double layer near a charged soft surface by using a mean-field approach including non-uniform size effect and solvent polarization. Based on a free energy model, electrostatic potential and number densities of water…
Coherent superposition of electronic states, created by ionizing a molecule, can initiate ultrafast dynamics of the electron density. Correlation between nuclear and electron motions, however, typically dissipates the electronic coherence…
We study the family of static and moving dark solitons in quasi-one-dimensional dipolar Bose-Einstein condensates, exploring their modified form and interactions. The density dip of the soliton acts as a giant anti-dipole which adds a…
We study the electron-phonon relaxation (dephasing) rate in disordered semiconductors and low-dimensional structures. The relaxation is determined by the interference of electron scattering via the deformation potential and elastic electron…
We show that the local parity violation in the quark-gluon plasma supports existence of free (meta)stable knots of deconfined hot quark matter stabilized by superstrong magnetic fields. The magnetic field in the knots resembles the…
In this study, we propose a theoretical framework to investigate the interactions between flexible polymer chains, specifically polyelectrolytes (PEs). By calculating the system's free energy while considering position-dependent mutual…
We report simulation results on melts of entangled linear polymers confined in a free-standing thin film. We study how the geometric constraints imposed by the confinement alter the entanglement state of the system compared to the…
We study by Monte Carlo simulations a model of knotted polymer ring adsorbing onto an impenetrable, attractive wall. The polymer is described by a self-avoiding polygon (SAP) on the cubic lattice. We find that the adsorption transition…
According to classical electrolyte theories interactions in dilute (low ion density) electrolytes decay exponentially with distance, with the Debye screening length the characteristic length-scale. This decay length decreases monotonically…
We investigate the crystallization of crosslinked and entangled polymers under external deformation using a coarse-grained poly(vinyl alcohol) (CG-PVA) model and molecular dynamics simulations. Following uniaxial deformation, the systems…
We present a systematic statistical mechanical analysis of the conformational properties of a stiff polyelectrolyte chain with intrachain attractions that are due to counterion correlations. We show that the mean-field solution corresponds…
As the periodicity in crystalline materials creates the optimal condition for electronic delocalization, one might expect that in partially crystalline conjugated polymers delocalization is impeded by intergrain transport. However, for the…
Topological entanglements are abundant, and often detrimental, in polymeric systems in biology and materials science. Here we theoretically investigate the topological simplification of knots by diffusing slip-links (SLs), which may…
The influence of collective phonon excitations, due to intersite atomic interactions, on the stability of optical lattices is analyzed. These phonon excitations are shown to essentially reduce the ability of atoms to be localized. The…