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A multiscale approach is used to simulate the translocation of DNA through a nanopore. Within this scheme, the interactions of the molecule with the surrounding fluid (solvent) are explicitly taken into account. By generating polymers of…

Biological Physics · Physics 2009-11-13 Simone Melchionna , Maria Fyta , Efthimios Kaxiras , Sauro Succi

We study the translocation process of a polymer in the absence of external fields for various pore diameters $b$ and membrane thickness $L$. The polymer performs Rouse and reptation dynamics. The mean translocation time $<\tau_t>$ that the…

Soft Condensed Matter · Physics 2007-05-23 Joanne Klein Wolterink , Gerard T. Barkema , Debabrata Panja

The transport of biomolecules across a cell membrane is an important phenomena that plays a pivotal role in the functioning of biological cells. In this paper, we investigate such processes by modeling the translocation of polymers through…

Soft Condensed Matter · Physics 2022-11-01 Andri Sharma

We present a detailed study of the static and dynamic behavior of long semiflexible polymer chains in a melt. Starting from previously obtained fully equilibrated high molecular weight polymer melts [{\it Zhang et al.} ACS Macro Lett. 3,…

Soft Condensed Matter · Physics 2016-05-25 Hsiao-Ping Hsu , Kurt Kremer

When a flexible polymer is sucked into a localized small hole, the chain can initially respond only locally and the sequential nonequilibrium processes follow in line with the propagation of the tensile force along the chain backbone. We…

Soft Condensed Matter · Physics 2009-11-13 Takahiro Sakaue

Transport of tracer particles through mesh-like environments such as biological hydrogels and polymer matrices is ubiquitous in nature. These tracers could be passive, such as colloids or active (self-propelled), such as synthetic…

Soft Condensed Matter · Physics 2022-12-08 Praveen Kumar , Rajarshi Chakrabarti

Recent developments of microscopic mechanical experiments allow the manipulation of individual polymer molecules in two main ways: \textit{uniform} stretching by external forces and \textit{non-uniform} stretching by external fields. Many…

Biological Physics · Physics 2015-06-11 Fabio Manca , Stefano Giordano , Pier Luca Palla , Fabrizio Cleri , Luciano Colombo

In the paper a novel stochastic algorithm designed to study of chain-like bodies dynamics is introduced. This algorithm models chain movements induced by the tension propagation and its main idea relies on the sequentialization of each…

Soft Condensed Matter · Physics 2013-12-17 Andrzej Z. Grzybowski , Zbigniew Domanski

We show that when a self-avoiding polymer chain is pulled off a sticky surface by force applied to the end segment, it undergoes a first-order thermodynamic phase transition albeit without phase coexistence. This unusual feature is…

Soft Condensed Matter · Physics 2009-09-15 A. Milchev , V. G. Rostiashvili , S. Bhattacharya , T. A. Vilgis

Molecular dynamics simulation methods are used to study the folding of polymer chains into packed cubic states. The polymer model, based on a chain of linked sites moving in the continuum, includes both excluded volume and torsional…

Soft Condensed Matter · Physics 2009-11-10 D. C. Rapaport

We study voltage driven translocation of a single stranded (ss) DNA through a membrane channel. Our model, based on a master equation (ME) approach, investigates the probability density function (pdf) of the translocation times, and shows…

Statistical Mechanics · Physics 2007-05-23 O. Flomenbom , J. Klafter

We employ a multiscale approach to model the translocation of biopolymers through nanometer size pores. Our computational scheme combines microscopic Molecular Dynamics (MD) with a mesoscopic Lattice Boltzmann (LB) method for the solvent…

Computational Physics · Physics 2008-02-27 Maria Fyta , Jayanta Sircar , Efthimios Kaxiras , Simone Melchionna , Massimo Bernaschi , Sauro Succi

The breakdown of dynamical scaling for a dilute polymer solution in 2D has been suggested by Shannon and Choy [Phys. Rev. Lett. {\bf 79}, 1455 (1997)]. However, we show here both numerically and analytically that dynamical scaling holds…

Soft Condensed Matter · Physics 2009-11-10 E. Falck , O. Punkkinen , I. Vattulainen , T. Ala-Nissila

We use an off - lattice bead - spring model of a self - avoiding polymer chain immersed in a 3-dimensional quenched random medium to study chain dynamics by means of a Monte - Carlo (MC) simulation. The chain center of mass mean-squared…

Soft Condensed Matter · Physics 2007-05-23 A. Milchev , V. G. Rostiashvili , T. A. Vilgis

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

The breakage of a polymer chain of segments, coupled by anharmonic bonds with applied constant external tensile force is studied by means of Molecular Dynamics simulation. We show that the mean life time of the chain becomes progressively…

Soft Condensed Matter · Physics 2015-05-27 J. Paturej , A. Milchev , V. G. Rostiashvili , T. A. Vilgis

While the dynamics of polymer chains in equilibrium media is well understood by now, the polymer dynamics in active non-equilibrium environments can be very different. Here we study the dynamics of polymers in a viscous medium containing…

Soft Condensed Matter · Physics 2017-06-23 Jaeoh Shin , Andrey G. Cherstvy , Won Kyu Kim , Vasily Zaburdaev

This paper examines the effect of cooling on disentanglement forces in polymers and the implications for both single chain pullout and polymer dynamics. I derive the explicit dependence of the distribution of these forces on temperature,…

Statistical Mechanics · Physics 2007-05-23 Raphael Blumenfeld

Adsorption of polymers to surfaces is crucial for understanding many fundamental processes in nature. Recent experimental studies indicate that the adsorption dynamics is dominated by non-equilibrium effects. We investigate the adsorption…

Soft Condensed Matter · Physics 2009-05-12 Debabrata Panja , Gerard T. Barkema , Anatoly B. Kolomeisky

Active polymeric systems exhibit a rich spectrum of non-equilibrium phenomena arising from stochastic forces that explicitly break detailed balance. Despite the rapid growth of experimental and numerical studies, analytical progress remains…

Soft Condensed Matter · Physics 2026-03-09 Takahiro Sakaue , Enrico Carlon