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Several methods for preparing well equilibrated melts of long chains polymers are studied. We show that the standard method in which one starts with an ensemble of chains with the correct end-to-end distance arranged randomly in the…

Soft Condensed Matter · Physics 2009-11-10 Rolf Auhl , Ralf Everaers , Gary S. Grest , Kurt Kremer , Steven J. Plimpton

We study the influence of structural obstacles in a disordered environment on the size and shape characteristics of long flexible polymer macromolecules. We use the model of self-avoiding random walks on diluted regular lattices at the…

Soft Condensed Matter · Physics 2010-11-22 Viktoria Blavatska , Wolfhard Janke

Voids exist in proteins as packing defects and are often associated with protein functions. We study the statistical geometry of voids in two-dimensional lattice chain polymers. We define voids as topological features and develop a simple…

Biological Physics · Physics 2009-11-07 Jie Liang , Jinfeng Zhang , Rong Chen

Through extensive Monte Carlo simulations, we systematically study the effect of chain stiffness on the packing ability of linear polymers composed of hard spheres in extremely confined monolayers, corresponding effectively to 2D films.…

Polymers in a melt may be subject to topological constraints, as in the example of unlinked polymer rings. How to do statistical mechanics in the presence of such constraints remains a fundamental open problem. We study the effect of…

Statistical Mechanics · Physics 2015-12-04 Pablo Serna , Guy Bunin , Adam Nahum

We present results from molecular dynamics simulations of strictly two-dimensional (2D) polymer melts and thin polymer films in a slit geometry of thickness of the order of the radius of gyration. We find that the dynamics of the 2D melt is…

Soft Condensed Matter · Physics 2007-05-23 H. Meyer , T. Kreer , A. Cavallo , J. P. Wittmer , J. Baschnagel

Motivated by recent experiments, we investigate the scattering properties of percolation clusters generated by numerical simulations on a three dimensional cubic lattice. Individual clusters of given size are shown to present a fractal…

Statistical Mechanics · Physics 2022-07-12 Jean-Christian Anglès d'Auriac , Pierre-Etienne Wolf

Polymer's network is treated as an anisotropic fractal with fractional dimensionality D = 1 + \epsilon close to one. Percolation model on such a fractal is studied. Using the real space renormalization group approach of Migdal and Kadanoff…

Disordered Systems and Neural Networks · Physics 2009-10-30 A. N. Samukhin , V. N. Prigodin , L. Jastrabik

Histogram-reweighting grand canonical Monte Carlo simulations are used to obtain the critical properties of lattice chains composed of solvophilic and solvophobic monomers. The model is a modification of one proposed by Larson \emph{et al.}…

Soft Condensed Matter · Physics 2024-06-18 Athanassios Z. Panagiotopoulos

Single three dimensional polymers confined to a slab, i.e. to the region between two parallel plane walls, are studied by Monte Carlo simulations. They are described by $N$-step walks on a simple cubic lattice confined to the region $1 \le…

Soft Condensed Matter · Physics 2009-11-10 Hsiao-Ping Hsu , Peter Grassberger

In this note microgels with and without excluded volume interactions are considered. Based on earlier exact computations on Gaussian mircogels, which are formed by self-crosslinking (with $M$ crosslinks) of polymer chains with chain length…

Soft Condensed Matter · Physics 2007-05-23 T. A. Vilgis

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

An end-grafted flexible polymer chain in 3d space between two pistons undergoes an abrupt transition from a confined coil to a flower-like conformation when the number of monomers in the chain, N, reaches a critical value. In 2d geometry,…

Statistical Mechanics · Physics 2009-11-13 Hsiao-Ping Hsu , Kurt Binder , Leonid I. Klushin , Alexander M. Skvortsov

We analyze structural and conformational properties in a simulated bead-spring model of a non-entangled, supercooled polymer melt. We explore the statics of the model via various structure factors, involving not only the monomers, but also…

Soft Condensed Matter · Physics 2009-11-10 Martin Aichele , Song-Ho Chong , Jörg Baschnagel , Matthias Fuchs

Semiflexible polymers characterized by the contour length $L$ and persistent length $\ell_p$ confined in a spatial region $D$ have been described as a series of ``{\em spherical blobs}'' and ``{\em deflecting lines}'' by de Gennes and Odjik…

Biological Physics · Physics 2015-06-18 Aiqun Huang , Aniket Bhattacharya

We present an exact solution for the distribution of sample averaged monomer to monomer distance of ring polymers. For non-interacting and weakly-interacting models these distributions correspond to the distribution of the area under the…

Soft Condensed Matter · Physics 2019-01-24 Shlomi Medalion , Erez Aghion , Hagai Meirovitch , Eli Barkai , David A. Kessler

We characterize the existence of certain geometric configurations in the fractal percolation limit set $A$ in terms of the almost sure dimension of $A$. Some examples of the configurations we study are: homothetic copies of finite sets,…

Probability · Mathematics 2017-03-29 Pablo Shmerkin , Ville Suomala

We study the interaction problem of a linear polymer chain, floating in fractal containers that belong to the three-dimensional Sierpinski gasket (3D SG) family of fractals, with a surface-adsorbed linear polymer chain. Each member of the…

Statistical Mechanics · Physics 2009-11-11 Ivan Zivic

We investigate mutual local chain order in systems of fully flexible polymer melts in a simple generic bead-spring model. The excluded-volume interaction together with the connectivity leads to local ordering effects which are independent…

Soft Condensed Matter · Physics 2015-06-25 Roland Faller , Mathias Puetz , Florian Mueller-Plathe

The metric of two-dimensional quantum gravity interacting with conformal matter is believed to collapse to a branched polymer metric when the central charge c>1. We show analytically that the spectral dimension of such a branched polymer…

High Energy Physics - Lattice · Physics 2009-10-30 Thordur Jonsson , John F. Wheater
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