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We systematically explore the self-assembly of semi-flexible polymers in deformable spherical confinement across a wide regime of chain stiffness, contour lengths and packing fractions by means of coarse-grained molecular dynamics…

Soft Condensed Matter · Physics 2021-07-12 Maxime M. C. Tortora , Daniel Jost

The persistence length of macromolecules is one of their basic characteristics, describing their intrinsic local stiffness. However, it is difficult to extract this length from physical properties of the polymers, different recipes may give…

Soft Condensed Matter · Physics 2013-03-12 Hsiao-Ping Hsu , Wolfgang Paul , Kurt Binder

Semiflexible polymers are widely used as a paradigm for understanding structural phases in biomolecules including folding of proteins. Here, we compare bead-spring and bead-stick variants of coarse-grained semiflexible polymer models that…

Soft Condensed Matter · Physics 2024-02-16 Wolfhard Janke , Suman Majumder , Martin Marenz , Subhajit Paul

We analyse the nature of the confinement of an infinitely long (and finite) linear semiflexible homo-polymer chain confined in between two geometrical constraints (A&B) under good solvent condition in two dimensions. The constraints are…

Soft Condensed Matter · Physics 2017-10-16 Pramod Kumar Mishra

We consider an inextensible, semiflexible polymer or worm-like chain which is confined in the transverse direction by a parabolic potential and subject to a longitudinal force at the ends, so that the polymer is stretched out and…

Soft Condensed Matter · Physics 2015-05-28 Theodore W. Burkhardt

Using a combination of the replica-exchange Monte Carlo algorithm and the multicanonical method, we investigate the influence of bending stiffness on the conformational phases of a bead-stick homopolymer model and present the pseudo-phase…

Soft Condensed Matter · Physics 2016-03-30 Martin Marenz , Wolfhard Janke

We investigate the conformations of a semiflexible polymer confined to a square box. Results of Monte Carlo simulations show the existence of a shape transition when the persistence length of the polymer becomes comparable to the dimensions…

Soft Condensed Matter · Physics 2008-06-19 Y. Liu , B. Chakraborty

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

We have mapped the physics of a system of semi-flexible inextensible polymers onto a complex Ginzburg-Landau field theory using techniques of functional integration. It is shown in the limit of low number density of monomers in a melt of…

Soft Condensed Matter · Physics 2007-05-23 Shirish M. Chitanvis

We present a model for semiflexible polymers in Hamiltonian formulation which interpolates between a Rouse chain and worm-like chain. Both models are realized as limits for the parameters. The model parameters can also be chosen to match…

Soft Condensed Matter · Physics 2015-06-12 Gerard T. Barkema , J. M. J. van Leeuwen

The properties of a semiflexible polymer with fixed ends exposed to oscillatory shear flow are investigated by simulations. The two-dimensionally confined polymer is modeled as a linear bead-spring chain, and the interaction with the fluid…

Soft Condensed Matter · Physics 2021-12-14 Antonio Lamura , Roland G. Winkler

The effect of confinement in the segmental relaxation of polymers is considered. On the basis of a thermodynamic model we discuss the emerging relevance of the fast degrees of freedom in stimulating the much slower segmental relaxation, as…

Soft Condensed Matter · Physics 2015-05-13 Marco Pieruccini , Tiberio A. Ezquerra

Semi-flexible polymers in crowded environments exhibit complex dynamics that play a crucial role in various biological and material design processes. Based on the classic reptation theory, it is generally believed that semiflexible polymers…

Soft Condensed Matter · Physics 2023-05-05 Ahmad Reza Motezakker , Andrés Córdoba , Tomas Rosén , Fredrik Lundell , L. Daniel Söderberg

We investigate asymptotical behavior of numbers of long Hamiltonian walks (HWs), i.e. self-avoiding random walks that visit every site of a lattice, on various fractal lattices. By applying an exact recursive technique we obtain scaling…

Statistical Mechanics · Physics 2009-10-29 S. Elezovic-Hadzic , D. Marcetic , S. Maletic

The flow behavior of a semiflexible polymer in microchannels is studied using Multiparticle Collision Dynamics (MPC), a particle-based hydrodynamic simulation technique. Conformations, distributions, and radial cross-streamline migration…

Soft Condensed Matter · Physics 2015-05-19 Raghunath Chelakkot , Roland G. Winkler , Gerhard Gompper

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

Semiflexible macromolecules in dilute solution under very good solvent conditions are modeled by self-avoiding walks on the simple cubic lattice ($d=3$ dimensions) and square lattice ($d=2$ dimensions), varying chain stiffness by an energy…

Soft Condensed Matter · Physics 2015-05-30 Hsiao-Ping Hsu , Kurt Binder

The constraints imposed by nano- and microscale confinement on the conformational degrees of freedom of thermally fluctuating biopolymers are utilized in contemporary nano-devices to specifically elongate and manipulate single chains. A…

Soft Condensed Matter · Physics 2010-09-14 F. Thüroff , F. Wagner , E. Frey

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

Brownian motion and viscoelasticity of semiflexible polymers is a subject that has been studied for many years. Still, rigorous analysis has been hindered due to the difficulty in handling the constraint that polymer chains cannot be…

Soft Condensed Matter · Physics 2024-05-22 Zhongqiang Xiong , Ryohei Seto , Masao Doi