相关论文: Collapse transition of a square-lattice polymer wi…
We study the model of a partially directed flexible or semi-flexible homopolymer on a square lattice, subject to an externally applied force, in a direction either parallel to, or perpendicular to the preferred direction. The polymer is…
Using the recently introduced parsimonious Metropolis algorithm bead-stick polymers both with infinite-range Lennard-Jones interaction and with truncation are simulated. The focus lays on determining the Boyle temperature for long chains…
A planar square lattice model with 3-d spins interacting with nearest neighbours through a potential -$\epsilon P_4 (cos \theta_{ij})$ is studied by Monte Carlo technique. Lattice sizes from 10$\times$10 to 30$\times$30 are considered for…
We study a model of close-packed dimers on the square lattice with a nearest neighbor interaction between parallel dimers. This model corresponds to the classical limit of quantum dimer models [D.S. Rokhsar and S.A. Kivelson, Phys. Rev.…
We study by computer simulation a recently introduced generalised model of self-interacting self-avoiding trails on the square lattice that distinguishes two topologically different types of self-interaction: namely crossings where the…
Trails (bond-avoiding walks) provide an alternative lattice model of polymers to self-avoiding walks, and adding self-interaction at multiply visited sites gives a model of polymer collapse. Recently, a two-dimensional model (triangular…
We study the problem of adsorption and collapse transition of a linear polymer chain situated in a fractal container represented by a 4-simplex lattice and interacting with a surface adsorbed linear polymer chain. The adsorbed chain…
We present a Bethe approximation to study lattice models of linear polymers. The approach is variational in nature and based on the cluster variation method (CVM). We focus on a model with $(i)$ a nearest neighbor attractive energy…
We investigate the kinetics of a polymer collapse due to the formation of irreversible crosslinks between its monomers. Using the contact probability $P(s)$ as a scale-dependent order parameter depending on the chemical distance $s$, our…
It has been revealed by mean-field theories and computer simulations that the nature of the collapse transition of a polymer is influenced by its bending stiffness $\epsilon_{\rm b}$. In two dimensions, a recent analytical work demonstrated…
We study long polymer chains in a poor solvent, confined to the space between two parallel hard walls. The walls are energetically neutral and pose only a geometric constraint which changes the properties of the coil-globule (or…
Histogram-reweighting Monte Carlo simulations were used to obtain polymer / solvent phase diagrams for lattice homopolymers of chain lengths up to r=1000 monomers. The simulation technique was based on performing a series of grand canonical…
We revisit an integrable lattice model of polymer collapse using numerical simulations. This model was first studied by Bl\"ote and Nienhuis in J. Phys. A. {\bf 22}, 1415 (1989) and it describes polymers with some attraction, providing thus…
Chain-like macromolecules in solution, whether biological or synthetic, transform from an extended conformation to a compact one when temperature or other system parameters change. This collapse transition is relevant in various phenomena,…
The universality of the swelling of the radius of gyration of a homopolymer relative to its value in the $\theta$ state, independent of polymer-solvent chemistry, in the crossover regime between $\theta$ and athermal solvent conditions, is…
Conformational properties of a single flexible polyelectrolyte chain in a poor solvent are studied using constant temperature molecular dynamics simulation. The effects of counterions are explicitly taken in to account. Structural…
Polymer chains undergoing a continuous adsorption-desorption transition are studied through extensive computer simulations. A three-dimensional self-avoiding walk lattice model of a polymer chain grafted onto a surface has been treated for…
We numerically investigate the influence of self-attraction on the critical behaviour of a polymer in two dimensions, by means of an analysis of finite-size results of transfer-matrix calculations. The transfer matrix is constructed on the…
Long linear polymers in dilute solutions are known to undergo a collapse transition from a random coil (expand itself) to a compact ball (fold itself up) when the temperature is lowered, or the solvent quality deteriorates. A natural model…
The phase diagram of the collapse of a two-dimensional infinite branched polymer interacting with the solvent and with itself through contact interactions is studied from the $q\to 1$ limit of an extension of the $q-$ states Potts model.…