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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…

软凝聚态物质 · 物理学 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…

软凝聚态物质 · 物理学 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,…

软凝聚态物质 · 物理学 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…

软凝聚态物质 · 物理学 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…

软凝聚态物质 · 物理学 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…

凝聚态物理 · 物理学 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…

统计力学 · 物理学 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…

软凝聚态物质 · 物理学 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…

软凝聚态物质 · 物理学 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…

统计力学 · 物理学 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…

软凝聚态物质 · 物理学 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.…

软凝聚态物质 · 物理学 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…

软凝聚态物质 · 物理学 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…

软凝聚态物质 · 物理学 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…

软凝聚态物质 · 物理学 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…

软凝聚态物质 · 物理学 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…

统计力学 · 物理学 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…

软凝聚态物质 · 物理学 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…

软凝聚态物质 · 物理学 2009-10-31 T. Kreer , J. Baschnagel , M. Mueller , K. Binder