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Extensive Monte Carlo data analysis gives clear evidence that collapsed linear polymers in two dimensions fall in the universality class of athermal, dense self-avoiding walks, as conjectured by B.Duplantier [Phys.Rev.Lett. 71, 4274…

Statistical Mechanics · Physics 2007-05-23 Marco Baiesi , Enzo Orlandini , Attilio L. Stella

Large scale Monte Carlo simulations of dense layers of grafted polymer chains in good solvent conditions are used to explore the relaxation of a polymer brush. Monomer displacements are analyzed for the directions parallel and perpendicular…

Soft Condensed Matter · Physics 2021-04-13 Michael Lang , Marco Werner , Ron Dockhorn , Torsten Kreer

Spherical confinement can act either stabilizing or destabilizing on the collapsed state of a semi-flexible polymer. General free-energy arguments suggest that the order of the unconstrained collapse transition is the distinguishing factor:…

Soft Condensed Matter · Physics 2018-11-14 Martin Marenz , Johannes Zierenberg , Wolfhard Janke

We performed a series of simulations for a linear polymer chain in a solvent using dissipative particle dynamics to check the scaling relations for the end-to-end distance, radius of gyration and hydrodynamic radius in three dimensions. The…

Soft Condensed Matter · Physics 2009-04-03 J. M. Ilnytskyi , Yu. Holovatch

We present data of Monte Carlo simulations for monodisperse linear polymer chains in dense melts with degrees of polymerization between N=16 and N=512. The aim of this study is to investigate the crossover from Rouse-like dynamics for short…

Soft Condensed Matter · Physics 2009-10-31 T. Kreer , J. Baschnagel , M. Mueller , K. Binder

We study by Monte Carlo simulations and scaling analysis two models of pairs of confined and dense ring polymers in two dimensions. The pair of ring polymers are modelled by squared lattice polygons confined within a square cavity and they…

Soft Condensed Matter · Physics 2022-01-05 EJ Janse van Rensburg , E Orlandini

Confinement can have a dramatic effect on the behavior of all sorts of particulate systems and it therefore is an important phenomenon in many different areas of physics and technology. Here, we investigate the role played by the softness…

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 study the relaxation dynamics of a coarse-grained polymer chain at different degrees of stretching by both analytical means and numerical simulations. The macromolecule is modelled as a string of beads, connected by anharmonic springs,…

Soft Condensed Matter · Physics 2009-11-13 M. Febbo , A. Milchev , V. Rostiashvili , T. A. Vilgis , D. Dimitrov

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

Stress relaxation following deformation of an entangled polymeric liquid is thought to be affected by transient reforming of chain entanglements. In this work, we use single molecule techniques to study the relaxation of individual polymers…

Soft Condensed Matter · Physics 2018-07-04 Yuecheng Zhou , Charles M. Schroeder

Using different segmental dynamics and relaxation, characteristics of the interface growth is examined in an electrophoretic deposition of polymer chains on a three (2+1) dimensional discrete lattice with a Monte Carlo simulation.…

Soft Condensed Matter · Physics 2007-05-23 Frank W. Bentrem , Jun Xie , R. B. Pandey

The correlations in the motion of reptating polymers in their melt are investigated by means of kinetic Monte Carlo simulations of the three dimensional slithering snake version of the bond-fluctuation model. Surprisingly, the slithering…

Statistical Mechanics · Physics 2009-11-07 L. Mattioni , J. P. Wittmer , J. Baschnagel , J. -L. Barrat , E. Luijten

We study the compression and extension dynamics of a DNA-like polymer interacting with non-DNA binding and DNA-binding proteins, by means of computer simulations. The geometry we consider is inspired by recent experiments probing the…

Soft Condensed Matter · Physics 2017-09-13 M. C. F. Pereira , C. A. Brackley , J. S. Lintuvuori , D. Marenduzzo , E. Orlandini

We present the exact solutions of various directed walk models of polymers confined to a slit and interacting with the walls of the slit via an attractive potential. We consider three geometric constraints on the ends of the polymer and…

Statistical Mechanics · Physics 2009-11-11 R Brak , A L Owczarek , A Rechnitzer , S G Whittington

We consider a model for a polymer chain interacting with a sequence of equispaced flat interfaces through a pinning potential. The intensity $\delta \in \mathbb {R}$ of the pinning interaction is constant, while the interface spacing…

Probability · Mathematics 2009-10-26 Francesco Caravenna , Nicolas Pétrélis

Stretched polymers with attractive interaction are studied in two and three dimensions. They are described by biased self-avoiding random walks with nearest neighbour attraction. The bias corresponds to opposite forces applied to the first…

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

Geometric confinement plays an important role in the dynamics of natural and synthetic microswimmers from bacterial cells to self-propelled particles in high-throughput microfluidic devices. However, little is known about the effects of…

Fluid Dynamics · Physics 2014-11-13 Alan Cheng Hou Tsang , Eva Kanso

The isomorph theory provides an explanation for the so-called power law density scaling which has been observed in many molecular and polymeric glass formers, both experimentally and in simulations. Power law density scaling (relaxation…

Soft Condensed Matter · Physics 2014-08-11 Arno A. Veldhorst , Jeppe C. Dyre , Thomas B. Schrøder

When the local intrinsic stiffness of a polymer chain varies over a wide range, one can observe both a crossover from rigid-rod-like behavior to (almost) Gaussian random coils and a further crossover towards self-avoiding walks in good…

Soft Condensed Matter · Physics 2015-03-17 Hsiao-Ping Hsu , Wolfgang Paul , Kurt Binder