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The motion of polymers with inhomogeneous structure through nanopores is discussed theoretically. Specifically, we consider the translocation dynamics of polymers consisting of double-stranded and single-stranded blocks. Since only the…

Statistical Mechanics · Physics 2009-11-11 Stanislav Kotsev , Anatoly B. Kolomeisky

I develop a kinetic mechanism to explain chain folding in polymer crystallization which is based on the competition between the formation of stems, which is due to frequent occupations of trans states along the chains in the supercooled…

Soft Condensed Matter · Physics 2014-09-23 S. Stepanow

The Langevin Equation for cooperative dynamics represents the dynamics of polymer melts with chains of increasing degree of polymerization, covering the full range of behavior from the unentangled to the entangled regime. This equation…

Soft Condensed Matter · Physics 2015-09-30 M. G. Guenza

Simulations and Mode-Coupling Theory calculations, for a large range of the arm number $f$ and packing fraction $\eta$ have shown that the structural arrest and the dynamics of star polymers in a good solvent are extremely rich: the systems…

Soft Condensed Matter · Physics 2009-11-10 F. Lo Verso , L. Reatto , G. Foffi , P. Tartaglia , K. A. Dawson

In this paper we present simulations of a surface-adsorbed polymer subject to an elongation force. The polymer is modelled by a self-avoiding walk on a regular lattice. It is confined to a half-space by an adsorbing surface with attractions…

Statistical Mechanics · Physics 2007-05-23 J. Krawczyk , T. Prellberg , A. Rechnitzer , A. L. Owczarek

We present an analytical theory for heteropolymer deformation, as exemplified experimentally by stretching of single protein molecules. Using a mean-field replica theory, we determine phase diagrams for stress-induced unfolding of typical…

Statistical Mechanics · Physics 2009-11-07 Phillip L. Geissler , Eugene I. Shakhnovich

Molecular dynamics simulations were performed for a polymer melt. In quiescent states, the inter-chain interaction energy supported by each particle takes relatively large values persistently for long times if the particle is close to an…

Soft Condensed Matter · Physics 2007-05-23 Ryoichi Yamamoto , Akira Onuki

We employ a three-dimensional molecular dynamics to simulate translocation of a polymer through a nanopore driven by an external force. The translocation is investigated for different three pore diameter and two different external forces.…

Computational Physics · Physics 2019-12-03 Mohammadreza Niknam Hamidabad , Rouhollah Haji Abdolvahab

Simulating percolation and critical phenomena of labelled species inside films composed of single-component linear homogeneous macromolecules using molecular Monte Carlo method in 3 dimensions, we study dependence of these conducting…

Soft Condensed Matter · Physics 2019-09-05 Yuki Norizoe , Hiroshi Morita

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 flow and deformation of macromolecules is ubiquitous in nature and industry, and an understanding of this phenomenon at both macroscopic and microscopic length scales is of fundamental and practical importance. Here we present the…

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

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 analyze the motion of individual beads of a polymer chain using a discrete version of De Gennes' reptation model that describes the motion of a polymer through an ordered lattice of obstacles. The motion within the tube can be evaluated…

Soft Condensed Matter · Physics 2016-08-15 U. Ebert , L. Schäfer , A. Baumgärtner

Polymer entanglements lead to complicated topological constraints and interactions between neighbouring chains in a dense solution or melt. Entanglements can be treated in a mean field approach, within the famous reptation model, since they…

Soft Condensed Matter · Physics 2007-05-23 S. Kutter , E. M. Terentjev

We study of the dynamics of ring polymers confined to diffuse in a background gel at low concentrations. We do this in order to probe the inter-play between topology and dynamics in ring polymers. We develop an algorithm that takes into…

Soft Condensed Matter · Physics 2014-08-22 Davide Michieletto , Davide Marenduzzo , Enzo Orlandini , Gareth P. Alexander , Matthew S. Turner

We suggest a theoretical description of the force-induced translocation dynamics of a polymer chain through a nanopore. Our consideration is based on the tensile (Pincus) blob picture of a pulled chain and the notion of propagating front of…

Soft Condensed Matter · Physics 2012-04-17 J. L. A. Dubbeldam , V. G. Rostiashvili , A. Milchev , T. A. Vilgis

Mesh-like structures, such as mucus gel or cytoskeleton networks, are ubiquitous in biological systems. These intricate structures are composed of cross-linked, semi-flexible bio-filaments, crucial to numerous biological processes. In many…

Soft Condensed Matter · Physics 2024-01-10 Yeongjin Kim , Won Kyu Kim , Jae-Hyung Jeon

The stretchability of polymeric materials is critical to many applications such as stretchable electronics and soft robotics, yet the stretchability of conventional cross-linked linear polymers is limited by the entanglements between…

Soft Condensed Matter · Physics 2022-06-22 Jiuling Wang , Thomas C. O'Connor , Gary S. Grest , Ting Ge

We simulate entangled linear polymers in free-standing thin film geometries where the confining dimension is on the same scale or smaller than the bulk chain dimensions. We compare both film-averaged and layer-resolved, spatially…

Soft Condensed Matter · Physics 2016-08-24 Daniel M. Sussman