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The folding transition of single, long semiflexible polymers was studied with special emphasis on the chain length effect using Monte Carlo simulations. While a relatively short chain (10-25 Kuhn segments) undergoes a large discrete…

Soft Condensed Matter · Physics 2008-05-06 Yuji Higuchi , Takahiro Sakaue , Kenichi Yoshikawa

We develop a scaling theory to describe dynamic fluctuations of a semiflexible polymer and find several distinct regimes. We performed simulations to characterize the longitudinal and transverse dynamics; using ensemble averaging for a…

Soft Condensed Matter · Physics 2009-10-31 R. Everaers , F. Julicher , A. Ajdari , A. C. Maggs

Self-avoiding polymers in two-dimensional ($d=2$) melts are known to adopt compact configurations of typical size $R(N) \sim N^{1/d}$ with $N$ being the chain length. Using molecular dynamics simulations we show that the irregular shapes of…

Soft Condensed Matter · Physics 2009-05-08 H. Meyer , T. Kreer , M. Aichele , A. Cavallo , A. Johner , J. Baschnagel , J. P. Wittmer

The paper presents a short overview of the theoretical, numerical and experimental works on the critical behavior of a dilute polymer solution of long-flexible polymer chains confined in semi-infinite space restricted by a surface or in a…

Soft Condensed Matter · Physics 2018-01-08 Zoryana Usatenko , Krzysztof S. Danel

Molecular dynamics simulation and recent theory are used to examine density correlations in semidilute solutions of highly charged, intrinsically flexible and hydrophilic polyelectrolytes in low salt. Quantitative comparison with no…

Soft Condensed Matter · Physics 2021-07-06 James P. Donley , David R. Heine

We investigate the large-scale behaviour of the Self-Repelling Brownian Polymer (SRBP) in the critical dimension $d=2$. The SRBP is a model of self-repelling motion, which is formally given by the solution a stochastic differential equation…

Probability · Mathematics 2024-03-12 Giuseppe Cannizzaro , Harry Giles

The classical bond-fluctuation model (BFM) is an efficient lattice Monte Carlo algorithm for coarse-grained polymer chains where each monomer occupies exclusively a certain number of lattice sites. In this paper we propose a generalization…

Soft Condensed Matter · Physics 2009-08-12 J. P. Wittmer , A. Cavallo , T. Kreer , J. Baschnagel , A. Johner

Recent theory and experiments have shown how the buildup of a high-concentration polymer layer at a one-dimensional solvent-air interface can lead to an evaporation rate that scales with time as $t^{-1/2}$ and that is insensitive to the…

Soft Condensed Matter · Physics 2025-02-21 Max Huisman , Wilson C. K. Poon , Patrick B. Warren , Simon Titmuss , Davide Marenduzzo

Rheo-optical measurements on Polyemethyl methacrylate (PMMA) and 4-Butoxycarbonylmethylurethane (4-BCMU) show that these synthetic random coil polymer chains compress in Couette flow at semi-dilute concentrations. All previous models of…

Soft Condensed Matter · Physics 2014-04-01 Dave E. Dunstan

As an extension of the former study on 2-dimensional systems, we simulate phase behavior of polymer-grafted colloidal particles in 3 dimensions by molecular Monte Carlo technique in the canonical ensemble. We use a spherically symmetric…

Soft Condensed Matter · Physics 2014-04-02 Yuki Norizoe , Toshihiro Kawakatsu

We review a coarse-graining strategy (multiblob approach) for polymer solutions in which groups of monomers are mapped onto a single atom (a blob) and effective blob-blob interactions are obtained by requiring the coarse-grained model to…

Soft Condensed Matter · Physics 2015-03-19 Giuseppe D'Adamo , Andrea Pelissetto , Carlo Pierleoni

Confined in two dimensional planes, polymer chains comprising dense monolayer solution are segregated from each other due to topological interaction. Although the segregation is inherent in two dimensions (2D), the solution may display…

Soft Condensed Matter · Physics 2022-09-26 Lei Liu , Changbong Hyeon

We use experimental and simulation data from the literature to infer five characteristic lengths, denoted $\xi_s$, $\xi_f$, $\xi_\Pi$, $\xi_\phi$, and $\xi_D$ of a semidilute polymer solution. The first two of these are defined in terms of…

Soft Condensed Matter · Physics 2009-11-07 Jung-Ren Huang , T. A. Witten

The interplay of nematic order and phase separation in solutions of semiflexible polymers in solvents of variable quality is investigated by density functional theory (DFT) and molecular dynamics (MD) simulations. We studied coarse-grained…

Soft Condensed Matter · Physics 2019-09-04 Jiarul Midya , Sergei A. Egorov , Kurt Binder , Arash Nikoubashman

We analyze a (1+1)-dimension directed random walk model of a polymer dipped in a medium constituted by two immiscible solvents separated by a flat interface. The polymer chain is heterogeneous in the sense that a single monomer may…

Probability · Mathematics 2007-05-23 Erwin Bolthausen , Giambattista Giacomin

Brownian dynamics simulations of a coarse-grained bead-spring chain model, with Debye-H\"uckel electrostatic interactions between the beads, are used to determine the root-mean-square end-to-end vector, the radius of gyration, and various…

Soft Condensed Matter · Physics 2020-07-03 W. Chamath Soysa , B. Dünweg , J. Ravi Prakash

We study a model of "elastic" lattice polymer in which a fixed number of monomers $m$ is hosted by a self-avoiding walk with fluctuating length $l$. We show that the stored length density $\rho_m = 1 - <l>/m$ scales asymptotically for large…

Statistical Mechanics · Physics 2010-06-16 Marco Baiesi , Gerard T. Barkema , Enrico Carlon

The dynamical response of a tethered semiflexible polymer with self-attractive interactions and subjected to an external force field is numerically investigated by varying stiffness and self-interaction strength. The chain is confined in…

Soft Condensed Matter · Physics 2022-11-09 A. Lamura

The longitudinal response of single semiflexible polymers to sudden changes in externally applied forces is known to be controlled by the propagation and relaxation of backbone tension. Under many experimental circumstances, realized, e.g.,…

Soft Condensed Matter · Physics 2011-02-25 Florian Thüroff , Benedikt Obermayer , Erwin Frey

We study the dynamics of flexible, semiflexible, and self-avoiding polymer chains moving under a Kramers metastable potential. Due to thermal noise, the polymers, initially placed in the metastable well, can cross the potential barrier, but…

Soft Condensed Matter · Physics 2013-12-05 Jaeoh Shin , Timo Ikonen , Mahendra D. Khandkar , Tapio Ala-Nissila , Wokyung Sung
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