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We present the results of extensive numerical self-consistent field (SCF) and 3-dimensional off-lattice Monte Carlo (MC) studies of a spherical brush confined into a spherical cavity. The monomer density profile and the cavity pressure have…

Soft Condensed Matter · Physics 2007-05-23 Juan J. Cerda , Tomas Sintes , Raul Toral

We present using simple scaling arguments and one step replica symmetry breaking a theory for the localization of semiflexible polymers in a quenched random environment. In contrast to completely flexible polymers, localization of…

Soft Condensed Matter · Physics 2009-11-10 Arti Dua , Thomas A. Vilgis

We examine the phase transition of polymer adsorption as well as the underlying kinetics of polymer binding from dilute solutions on a structureless solid surface. The emphasis is put on the properties of regular multiblock copolymers,…

Soft Condensed Matter · Physics 2009-09-03 A. Milchev , V. Rostiashvili , S. Bhattacharya , T. Vilgis

Extensional rheometry and Brownian Dynamics simulations of flexible polymer solutions confirm predictions based on blob concepts that coil--stretch hysteresis in extensional flows increases with concentration, reaching a maximum at the…

Soft Condensed Matter · Physics 2020-07-03 Ranganathan Prabhakar , Chandi Sasmal , Duc At Nguyen , Tam Sridhar , J. Ravi Prakash

We present Monte Carlo simulations of colloidal particles pulled into grafted polymer layers by external fields. The insertion free energy of a single colloid into the polymer layer is qualitatively different for surfaces with an ordered…

Soft Condensed Matter · Physics 2012-10-17 Tine Curk , Francisco J. Martinez-Veracoechea , Daan Frenkel , Jure Dobnikar

We study surface effects in amorphous polymer systems by means of computer simulation. In the framework of molecular dynamics, we present two different methods to prepare such surfaces. {\em Free} surfaces are stabilized solely by…

Condensed Matter · Physics 2009-10-28 Thorsten Hapke , Andreas Linke , Gerald Paetzold , Dieter W. Heermann

We determine the density expansion of the radius of gyration, of the hydrodynamic radius, and of the end-to-end distance for a monodisperse polymer solution in good-solvent conditions. We consider the scaling limit (large degree of…

Statistical Mechanics · Physics 2007-05-23 Sergio Caracciolo , Bortolo Matteo Mognetti , Andrea Pelissetto

We have analyzed the equilibrium response of chain molecules to stretching. For a homogeneous sequence of monomers, the induced transition from compact globule to extended coil below the $\theta$-temperature is predicted to be sharp. For…

Soft Condensed Matter · Physics 2009-11-07 Phillip L. Geissler , Eugene I. Shakhnovich

We theoretically investigate the kinetics of the folding transition of a single semiflexible polymer. In the folding transition, the growth rate decrease with an increase in the number of monomers in a collapsed domain, suggesting that the…

Soft Condensed Matter · Physics 2009-11-13 Natsuhiko Yoshinaga

We present a unifying picture of the compact, dense and dilute phases of two-dimensional polymers. The lattice dependence of the scaling exponents for compact polymers is reconciled with their universality in the dense and dilute case. In…

Statistical Mechanics · Physics 2007-05-23 Jesper Lykke Jacobsen , Jane' Kondev

Dewetting of ultra-thin polymer films near the glass transition exhibits unexpected front morphologies [G. Reiter, Phys. Rev. Lett., 87, 186101 (2001)]. We present here the first theoretical attempt to understand these features, focusing on…

Soft Condensed Matter · Physics 2009-11-07 F. Saulnier , E. Raphael , P. -G. de Gennes

Predicting the large-amplitude deformations of thin elastic sheets is difficult due to the complications of self-contact, geometric nonlinearities, and a multitude of low-lying energy states. We study a simple two-dimensional setting where…

We present a mean-field dynamical theory for single semiflexible polymers which can precisely capture, without fitting parameters, recent fluorescence correlation spectroscopy results on single monomer kinetics of DNA strands in solution.…

Soft Condensed Matter · Physics 2009-10-19 Michael Hinczewski , Roland R. Netz

The escape transition of a polymer "mushroom" (a flexible chain grafted to a flat non-adsorbing substrate surface in a good solvent) occurs when the polymer is compressed by a cylindrical piston of radius $R$, that by far exceeds the chain…

Soft Condensed Matter · Physics 2014-03-05 J. Paturej , A. Milchev , S. A. Egorov , K. Binder

A theoretical model is developed for predicting dynamic polymer depletion effects under the influence of fluid flow. The results are established by combining the two-fluid model and the self-consistent field theory. We consider a uniform…

Soft Condensed Matter · Physics 2012-08-02 Takashi Taniguchi , Yuichiro Arai , Remco Tuinier , Tai-Hsi Fan

The distribution of monomers along a linear polymer grafted on a hard wall is modelled by determining the probability distribution of occupied vertices of Dyck and ballot path models of adsorbing linear polymers. For example, the…

Soft Condensed Matter · Physics 2023-03-08 EJ Janse van Rensburg

The transport of deformable particles through porous media underlies a wealth of applications ranging from filtration to oil recovery to the transport and spreading of biological agents. Using direct numerical simulations, we analyze the…

Soft Condensed Matter · Physics 2020-06-09 Brato Chakrabarti , Charles Gaillard , David Saintillan

We study polymers attached to spherical (circular) or paraboloidal (parabolic) probes in three (two) dimensions. Both self-avoiding and random walks are examined numerically. The behavior of a polymer of size $R_0$ attached to the tip of a…

Statistical Mechanics · Physics 2015-05-14 Roy Bubis , Yacov Kantor , Mehran Kardar

Given the wide range of length scales, the analysis of polymer systems often requires coarse-graining, for which various levels of description may be possible depending on the phenomenon under consideration. Here, we provide a super-coarse…

Soft Condensed Matter · Physics 2024-09-05 Naoki Iso , Yuki Norizoe , Takahiro Sakaue

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