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We present results from extensive Monte Carlo simulations of polymer models where each lattice site can be visited by up to $K$ monomers and no restriction is imposed on the number of bonds on each lattice edge. These \textit{multiple…

Soft Condensed Matter · Physics 2017-12-12 Nathann T. Rodrigues , Tiago J. Oliveira

We analyze the freezing and collapse transition of a simple model for flexible polymer chains on simple cubic and face-centered cubic lattices by means of sophisticated chain-growth methods. In contrast to bond-fluctuation polymer models in…

Soft Condensed Matter · Physics 2009-02-16 Thomas Vogel , Michael Bachmann , Wolfhard Janke

We consider polymers made of magnetic monomers (Ising or Heisenberg-like) in a good solvent. These polymers are modeled as self-avoiding walks on a cubic lattice, and the ferromagnetic interaction between the spins carried by the monomers…

Statistical Mechanics · Physics 2009-10-31 T. Garel , H. Orland , E. Orlandini

The equilibrium thermodynamic properties of a linear polymer chain confined to a space between two impenetrable walls (lines) at a distance $D$ under various solvent conditions have been studied using series analysis and exact enumeration…

Statistical Mechanics · Physics 2007-05-23 P. K. Mishra , Sanjay Kumar

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…

Statistical Mechanics · Physics 2018-05-30 P. H. L. Martins , J. A. Plascak , M. Bachmann

We use an off - lattice bead - spring model of a self - avoiding polymer chain immersed in a 3-dimensional quenched random medium to study chain dynamics by means of a Monte - Carlo (MC) simulation. The chain center of mass mean-squared…

Soft Condensed Matter · Physics 2007-05-23 A. Milchev , V. G. Rostiashvili , T. A. Vilgis

We describe method to discuss thermodynamics of a defected semi-flexible homo-polymer chain in the two and three dimensions using fully directed self-avoiding walk lattice model. The defects are located along a line and these defects are…

Soft Condensed Matter · Physics 2020-11-23 Pramod Kumar Mishra

We analyze the unbinding transition for a two dimensional lattice polymer in which the constituent strands are mutually avoiding random walks. At low temperatures the strands are bound and form a single self-avoiding walk. We show that…

Statistical Mechanics · Physics 2008-12-18 Enrico Carlon , Marco Baiesi

We consider self-avoiding lattice polygons, in the hypercubic lattice, as a model of a ring polymer adsorbed at a surface and either being desorbed by the action of a force, or pushed towards the surface. We show that, when there is no…

Statistical Mechanics · Physics 2018-02-14 AJ Guttmann , EJ Janse van Rensburg , I Jensen , SG Whittington

Various interacting lattice path models of polymer collapse in two dimensions demonstrate different critical behaviours. This difference has been without a clear explanation. The collapse transition has been variously seen to be in the…

Statistical Mechanics · Physics 2016-05-25 A Bedini , A L Owczarek , T Prellberg

In this paper we investigate the problem of a long self-avoiding polymer chain immersed in a random medium. We find that in the limit of a very long chain and when the self-avoiding interaction is weak, the conformation of the chain…

Disordered Systems and Neural Networks · Physics 2009-11-07 Yadin Y. Goldschmidt , Yohannes Shiferaw

We study the phase transitions of a random copolymer chain with quenched disorder. We apply a replica variational approach based on a Gaussian trial Hamiltonian in terms of the correlation functions of monomer Fourier coordinates. This…

Disordered Systems and Neural Networks · Physics 2009-10-30 A. Moskalenko , Yu. A. Kuznetsov , K. A. Dawson

The depletion interaction between two parallel repulsive walls confining a dilute solution of long and flexible polymer chains is studied by field-theoretic methods. Special attention is paid to self-avoidance between chain monomers…

Soft Condensed Matter · Physics 2009-11-07 F. Schlesener , A. Hanke , R. Klimpel , S. Dietrich

We study a generalized interacting self-avoiding walk (ISAW) model with nearest- and next nearest-neighbor (NN and NNN) interactions on the square and cubic lattices. In both dimensions, the phase diagrams show coil and globule phases…

Soft Condensed Matter · Physics 2014-09-24 Nathann T. Rodrigues , Tiago J. Oliveira

A polymer chain tethered to a surface may be compact or extended, adsorbed or desorbed, depending on interactions with the surface and the surrounding solvent. This leads to a rich phase diagram with a variety of transitions. To investigate…

Soft Condensed Matter · Physics 2009-11-13 Jutta Luettmer-Strathmann , Federica Rampf , Wolfgang Paul , Kurt Binder

We analyze the interaction of two conducting, charged polymer chains in solution using a minimal model for their electronic degrees of freedom. We show that a crossing of the two chains in which the polymers pass within Angstroms of each…

Soft Condensed Matter · Physics 2009-11-10 Jeremy D. Schmit , Alex J. Levine

We study the diffusion of gas molecules through a two-dimensional network of polymers with the help of Monte Carlo simulations. The polymers are modeled as non-interacting random walks on the bonds of a two-dimensional square lattice, while…

Soft Condensed Matter · Physics 2007-05-23 B. Schmittmann , Manoj Gopalakrishnan , R. K. P. Zia

We study a heteropolymer model with random contact interactions introduced some time ago as a simplified model for proteins. The model consists of self-avoiding walks on the simple cubic lattice, with contact interactions between nearest…

Soft Condensed Matter · Physics 2009-10-31 Ugo Bastolla , Peter Grassberger

Self-avoiding polymers in two-dimensional ($d=2$) melts are known to adopt compact configurations of typical size $R(N) \sim N^{1/d}$ with $N$ being the chain length. Using molecular dynamics simulations we show that the irregular shapes of…

Soft Condensed Matter · Physics 2009-05-08 H. Meyer , T. Kreer , M. Aichele , A. Cavallo , A. Johner , J. Baschnagel , J. P. Wittmer

We study an undirected polymer chain living on the 1-dimensional integer lattice and carrying i.i.d.\ random charges. Each self-intersection of the polymer contributes to the Hamiltonian an energy that is equal to the product of the charges…

Probability · Mathematics 2016-03-23 F. Caravenna , F. Den Hollander , N. Pétrélis , J. Poisat