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Self-avoiding polymers in strictly two-dimensional ($d=2$) melts are investigated by means of molecular dynamics simulation of a standard bead-spring model with chain lengths ranging up to N=2048. % The chains adopt compact configurations…

Soft Condensed Matter · Physics 2015-05-18 H. Meyer , J. P. Wittmer , T. Kreer , A. Johner , J. Baschnagel

Using molecular dynamics simulation of a standard bead-spring model we investigate the density crossover scaling of strictly two-dimensional self-avoiding polymer chains focusing on properties related to the contact exponent set by the…

Soft Condensed Matter · Physics 2015-06-03 N. Schulmann , H. Meyer , J. P. Wittmer , A. Johner , J. Baschnagel

Two-dimensional monodisperse linear polymer chains are known to adopt for sufficiently large chain lengths $N$ and surface fractions $\phi$ compact configurations with fractal perimeters. We show here by means of Monte Carlo simulations of…

Soft Condensed Matter · Physics 2025-08-04 J. P. Wittmer , A. Cavallo , A. Johner

Self-diffusion of a polymer chain in a melt is studied by Monte Carlo simulations of the bond fluctuation model, where only the excluded volume interaction is taken into account. Polymer chains, each of which consists of $N$ segments, are…

Soft Condensed Matter · Physics 2009-11-10 Katsumi Hagita , Hiroshi Takano

We use complete enumeration and Monte Carlo techniques to study two-dimensional self-avoiding polymer chains with quenched ``charges'' $\pm 1$. The interaction of charges at neighboring lattice sites is described by $q_i q_j$. We find that…

Soft Condensed Matter · Physics 2009-10-30 Ido Golding , Yacov Kantor

We discuss theoretically and numerically the intramolecular form factor $F(q)$ in dense polymer systems. Following Flory's ideality hypothesis, chains in the melt adopt Gaussian configurations and their form factor is supposed to be given…

Soft Condensed Matter · Physics 2009-11-13 P. Beckrich , A. Johner , A. N. Semenov , S. P. Obukhov , H. Benoit , J. P. Wittmer

We study the configurational properties of single polymers in a theta solvent by Monte Carlo simulation of the bond fluctuation model. The intramolecular structure factor at the theta point is found to be distinctively different from that…

Soft Condensed Matter · Physics 2015-05-14 Kenji Shimomura , Hiizu Nakanishi , Namiko Mitarai

We have studied the compact phase conformations of semi-flexible polymer chains confined in two dimensional nonhomogeneous media, modelled by fractals that belong to the family of modified rectangular (MR) lattices. Members of the MR family…

Statistical Mechanics · Physics 2019-05-22 D Marčetić , S Elezović-Hadžić , N Adžić , I Živić

Diffusion properties of a self-avoiding polymer embedded in regularly distributed obstacles with spacing a=20 and confined in two dimensions is studied numerically using the extended bond fluctuation method which we have developed recently.…

Soft Condensed Matter · Physics 2009-10-31 Ryuzo Azuma , Hajime Takayama

Single partially confined collapsed polymers are studied in two dimensions. They are described by self-avoiding random walks with nearest-neighbour attractions below the $\Theta$-point, on the surface of an infinitely long cylinder. For the…

Statistical Mechanics · Physics 2009-11-07 Hsiao-Ping Hsu , Peter Grassberger

We use Monte Carlo simulations to study polymer melts consisting of fully flexible and moderately stiff chains in the bond fluctuation model at a volume fraction $0.5$. In order to reduce the local density fluctuations, we test a…

Soft Condensed Matter · Physics 2015-06-24 Hsiao-Ping Hsu

This is a pedagogical review of the subject of linear polymers on deterministic finitely ramified fractals. For these, one can determine the critical properties exactly by real-space renormalization group technique. We show how this is used…

Statistical Mechanics · Physics 2009-09-29 Deepak Dhar , Yashwant Singh

The density crossover scaling of various thermodynamic properties of solutions and melts of self-avoiding and highly flexible polymer chains without chain intersections confined to strictly two dimensions is investigated by means of…

Soft Condensed Matter · Physics 2012-09-03 N. Schulmann , H. Meyer , P. Polińska , J. Baschnagel , J. P. Wittmer

When compressed in a slit of width $D$, a $\Theta$-chain that displays the scaling of size $R_0$ (diameter) with respect to the number of monomers $N$, $R_0\sim aN^{1/2}$, expands in the lateral direction as $R_{\parallel}\sim a…

Soft Condensed Matter · Physics 2022-02-28 Lei Liu , Philip A. Pincus , Changbong Hyeon

Single two dimensional polymers confined to a strip are studied by Monte Carlo simulations. They are described by N-step self-avoiding random walks on a square lattice between two parallel hard walls with distance 1 << D << N^\nu (\nu = 3/4…

Soft Condensed Matter · Physics 2007-05-23 Hsiao-Ping Hsu , Peter Grassberger

We consider polymers in which M randomly selected pairs of monomers are restricted to be in contact. Analytical arguments and numerical simulations show that an ideal (Gaussian) chain of N monomers remains expanded as long as M<<N; its mean…

Condensed Matter · Physics 2009-10-28 Yacov Kantor , Mehran Kardar

We present structural properties of two-dimensional polymers as far as they can be described by percolation theory. The percolation threshold, critical exponents and fractal dimensions of clusters are determined by computer simulation and…

Condensed Matter · Physics 2009-10-22 Christian Muenkel , Dieter W. Heermann

We present results of molecular dynamics simulations of very long model polymer chains analyzed by various experimentally relevant techniques. The segment motion of the chains is found to be in very good agreement with the repatation model.…

Soft Condensed Matter · Physics 2009-10-31 Mathias Puetz , Kurt Kremer , Gary S. Grest

By large-scale Monte Carlo simulations of semiflexible polymers in $d=2$ dimensions the applicability of the Kratky-Porod model is tested. This model is widely used as "standard model" for describing conformations and force versus extension…

Soft Condensed Matter · Physics 2011-11-15 Hsiao-Ping Hsu , Wolfgang Paul , Kurt Binder

It is commonly accepted that in concentrated solutions or melts high-molecular weight polymers display random-walk conformational properties without long-range correlations between subsequent bonds. This absence of memory means, for…

Soft Condensed Matter · Physics 2009-11-11 J. P. Wittmer , P. Beckrich , F. Crevel , C. C. Huang , A. Cavallo , T. Kreer , H. Meyer
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