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We investigate a lattice model of polymers where the nearest-neighbour monomer-monomer interaction strengths differ according to whether the local configurations have so-called ``hydrogen-like'' formations or not. If the interaction…

Soft Condensed Matter · Physics 2009-11-13 J Krawczyk , A L Owczarek , T Prellberg

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

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 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

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…

Soft Condensed Matter · Physics 2009-11-13 Jie Zhou , Zhong-Can Ou-Yang , Haijun Zhou

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…

Statistical Mechanics · Physics 2015-05-19 Pui-Man Lam , Yi Zhen

We analyze the crystallization 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…

Soft Condensed Matter · Physics 2009-11-13 Thomas Vogel , Michael Bachmann , Wolfhard Janke

The nature of the globule-coil transition of surface-confined polymers has been an issue of debate. Here this 2D collapse transition is studied through a partially directed lattice model. In the general case of polymers with positive…

Soft Condensed Matter · Physics 2007-05-23 Haijun Zhou , Jie Zhou , Zhong-Can Ou-Yang , Sanjay Kumar

While the $\Theta$-collapse of single long polymers in bad solvents is usually a continuous (tri-critical) phase transition, there are exceptions where it is preempted by a discontinuous crystallization (liquid $\leftrightarrow$ solid)…

Soft Condensed Matter · Physics 2015-06-16 Peter Grassberger

The phase structure of self-avoiding polymerized membranes is studied by extensive Hybrid Monte Carlo simulations. Several folding transitions from the flat to a collapsed state are found. Using a suitable order parameter and finite size…

Condensed Matter · Physics 2009-10-28 Christian Münkel , Dieter W. Heermann

We use the Bond Fluctuation Model (BFM) to study the pore-blockade times of a translocating polymer of length $N$ in two dimensions, in the absence of external forces on the polymer (i.e., unbiased translocation) and hydrodynamic…

Soft Condensed Matter · Physics 2010-01-05 Debabrata Panja , Gerard T. Barkema

In this paper, we investigate if it occurs a phase transition for a system of classical dimers adsorbed on a 3-4 lattice in the thermodynamic limit. We define four types of bonds (denoted by the dimers activities adsorbed in her, $x$, $y$,…

Statistical Mechanics · Physics 2018-04-10 Ivandson Praeiro de Sousa

There have been separate studies of the polymer collapse transition, where the collapse was induced by two different types of attraction. In each case, the configurations of the polymer were given by the same subset of random walks being…

Statistical Mechanics · Physics 2015-06-17 Andrea Bedini , Aleksander L Owczarek , Thomas Prellberg

We study the phase behavior of single homopolymers in a simple hydrophobic/hydrophilic off-lattice model with sequence independent local interactions. The specific heat is, not unexpectedly, found to exhibit a pronounced peak well below the…

Soft Condensed Matter · Physics 2009-10-31 Anders Irbäck , Erik Sandelin

Conformational phases of a semiflexible off-lattice homopolymer model near an attractive substrate are investigated by means of multicanonical computer simulations. In our polymer-substrate model, nonbonded pairs of monomers as well as…

Computational Physics · Physics 2009-07-20 Monika Möddel , Michael Bachmann , Wolfhard Janke

In earlier work we provided the first evidence that the collapse, or coil-globule, transition of an isolated polymer in solution can be seen in a four-dimensional model. Here we investigate, via Monte Carlo simulations, the canonical…

Statistical Mechanics · Physics 2009-10-31 T. Prellberg , A. L. Owczarek

We investigate the addition of stiffness to the lattice model of hydrogen-bonded polymers in two and three dimensions. We find that, in contrast to polymers that interact via a homogeneous short-range interaction, the collapse transition is…

Soft Condensed Matter · Physics 2009-11-13 J Krawczyk , AL Owczarek , T Prellberg

We present results for the nonequilibrium dynamics of collapse for a model flexible homopolymer on simple cubic lattices with fixed and fluctuating bonds between the monomers. Results from our Monte Carlo simulations show that,…

Soft Condensed Matter · Physics 2017-10-11 Henrik Christiansen , Suman Majumder , Wolfhard Janke

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…

Soft Condensed Matter · Physics 2009-08-12 J. P. Wittmer , A. Cavallo , T. Kreer , J. Baschnagel , A. Johner

We define a lattice model for the interaction of a polymer with water. We solve the model in a suitable approximation. In the case of a non-polar homopolymer, for reasonable values of the parameters, the polymer is found in a non-compact…

Statistical Mechanics · Physics 2009-10-31 Pierpaolo Bruscolini , Lapo Casetti
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