Related papers: Continuous melting of compact polymers
The classical bond-fluctuation model (BFM) is an efficient lattice Monte Carlo algorithm for coarse-grained polymer chains where each monomer occupies exclusively a certain number of lattice sites. In this paper we propose a generalization…
By simulating the first order globule-crystal transition of a flexible homopolymer chain, both by collision dynamics and Monte Carlo with non-kinetic moves, we show that the effective and the thermodynamic transition temperatures are…
A lattice model is used to estimate the self-diffusivity of entangled cyclic and linear polymers in blends of varying compositions. To interpret simulation results, we suggest a minimal model based on the physical idea that constraints…
We address the problem of "phantom" folding of the tethered membrane modelled by the two-dimensional square lattice, with bonds on the edges and diagonals of each face. Introducing bending rigidities $K_1$ and $K_2$ for respectively long…
We investigate the binding transition of two flexible polymers grafted to a steric surface with closeby end points. While free polymers show a discontinuous transition, grafting to a steric flat surface leads to a continuous binding…
Interplay of topology and competing interactions can induce new phases and phase transitions at finite temperatures. We consider a weakly coupled two-dimensional hexatic-nematic XY model with a relative $Z_3$ Potts degrees of freedom,and…
Progressive damage, which eventually leads to failure, is ubiquitous in biological and synthetic polymers. The simplest case to consider is that of elastomeric materials, which can undergo large reversible deformations with negligible rate…
We address the problem of inverse polymer swelling. This phenomenon, in which a collapsed polymer chain swells upon decreasing temperature, can be observed experimentally in so-called thermoreversible homopolymers in aqueous solution, and…
We study the rotational dynamics of a flexible polymer initially wrapped around a rigid rod and unwinding from it. This dynamics is of interest in several problems in biology and constitutes a fundamental instance of polymer relaxation from…
We study the problem of "phantom" folding of the two-dimensional square lattice, in which the edges and diagonals of each face can be folded. The non-vanishing thermodynamic folding entropy per face $s \simeq .2299(1)$ is estimated both…
We study numerically how multiple deformable capsules squeeze into a constriction. This situation is largely encountered in microfluidic chips designed to manipulate living cells, which are soft entities. We use fully three-dimensional…
The self- and mutual-avoiding walk used in conventional lattice models for polymeric systems requires that all lattice sites, polymer segments, and solvent molecules (unoccupied lattice sites) have the same volume. This incorrectly accounts…
We perform numerical simulations of an active fully flexible self-avoiding polymer as a function of the quality of the embedding solvent described in terms of an effective monomer-monomer interaction. Specifically, by extracting the Flory…
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 investigate the time evolution of the heteropolymer model introduced by Iori, Marinari and Parisi to describe some of the features of protein folding mechanisms. We study how the (folded) shape of the chain evolves in time. We find that…
We present an analytical and numerical study of the Ising model on a bilayer honeycomb lattice including interlayer frustration and coupling with an external magnetic field. First, we discuss the exact $T=0$ phase diagram, where we find…
A phenomenological model for the unbinding transition of multi-component fluid membranes is proposed, where the unbinding transition is described using a theory analogous to Flory-Huggins theory for polymers. The coupling between the…
In this paper we analyse both the dynamics and the high density physics of the infinite dimensional lattice gas model for random heteropolymers recently introduced in \cite{jort}. Restricting ourselves to site-disordered heteropolymers, we…
We present an application of Flory-type self-consistent field theory of the flexible polymer chain dissolved in the binary mixture of solvents to theoretical description of co-nonsolvency. We show that our theoretical predictions are in…
According to the Kosterlitz-Thouless-Theory two-dimensional solid films melt by the unbinding of dislocation pairs. A model including quenched random impurities was already studied by Nelson [Phys. Rev. B 27 (1983) 2902], who predicted a…