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We propose a two-body spherically symmetric (isotropic) potential such that particles interacting by the potential self assemble into linear semiflexible polymeric chains without branching. By suitable control of the potential parameters we…

Soft Condensed Matter · Physics 2018-05-09 Alex Abraham , Apratim Chatterji

We develop a statistical model for a confined chain molecule based on a monomer grand canonical ensemble. The molecule is subject to an external chemical potential, a backbone interaction, and an attractive interaction between all monomers.…

Statistical Mechanics · Physics 2015-05-13 S. Pasquali , J. K. Percus

We present Monte Carlo simulations of semidilute solutions of long self-attracting chain polymers near their Ising type critical point. The polymers are modeled as monodisperse self-avoiding walks on the simple cubic lattice with attraction…

Soft Condensed Matter · Physics 2009-10-30 H. Frauenkron , P. Grassberger , HLRZ Juelich , Germany

We present a numerical solution of the Worm-Like Chain (WLC) model for semi-flexible polymers. We display graphs for the end-to-end distance distribution and the force-extension relation expected from the model. We predict the expected…

Soft Condensed Matter · Physics 2009-11-07 Joseph Samuel , Supurna Sinha

The lattice cluster theory (LCT) for semiflexible linear telechelic melts, developed in paper I, is applied to examine the influence of chain stiffness on the average degree of self-assembly and the basic thermodynamic properties of linear…

Soft Condensed Matter · Physics 2015-06-29 Wen-Sheng Xu , Karl F. Freed

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 the results of analytic calculations and numerical simulations of the behaviour of a new class of chain molecules which we call thick polymers. The concept of the thickness of such a polymer, viewed as a tube, is encapsulated by…

Soft Condensed Matter · Physics 2015-06-25 D. Marenduzzo , A. Flammini , A. Trovato , J. R. Banavar , A. Maritan

We analyze response of a macromolecule near to a substrate; the substrate is tiled in the sequential and specific manner so that repeat units of the macromolecule may have different response on its adsorption in different directions onto…

Soft Condensed Matter · Physics 2020-09-21 Pramod Kumar Mishra

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

The shape of a polymer plays an important role in determining its interactions with other molecules and with the environment, and is in turn affected by both of them. As a consequence, in the literature the shape properties of a chain in…

Soft Condensed Matter · Physics 2017-07-26 Alberto S. Sassi , Salvatore Assenza , Paolo De Los Rios

In this brief report, we revisit analytical calculation [Mishra, {\it et al.}, Physica A {\bf 323} (2003) 453 and Mishra, NewYork Sci. J. {\bf{3(1)}} (2010) 32.] of the persistent length of a semiflexible homopolymer chain in %the extremely…

Statistical Mechanics · Physics 2013-06-27 Pramod Kumar Mishra

We analyze the structural behavior of a single polymer chain grafted to an attractive, flexible surface. Our model is composed of a coarse-grained bead-and-spring polymer and a tethered membrane. By means of extensive parallel tempering…

Soft Condensed Matter · Physics 2011-09-26 Steffen Karalus , Wolfhard Janke , Michael Bachmann

The conformational behavior of a coarse-grained finite polymer chain near an attractive spherical surface was investigated by means of multicanonical Monte Carlo computer simulations. In a detailed analysis of canonical equilibrium data…

Soft Condensed Matter · Physics 2018-01-03 Handan Arkin , Wolfhard Janke

We review the physical properties of macromolecular networks, consisting of semiflexible polymers such as actin. We start by giving a theoretical analysis of the conformational statistics and mechanical response of single filaments.…

Soft Condensed Matter · Physics 2008-02-03 Erwin Frey , Klaus Kroy , Jan Wilhelm , Erich Sackmann

We use a recently developed lattice model to study the percolation of particles of different sizes and shapes in the presence of a polymer matrix. The polymer is modeled as an infinitely long semiflexible chain. We study the effects of the…

Soft Condensed Matter · Physics 2015-06-25 Andrea Corsi , P. D. Gujrati

In the standard approach to lattice proteins the models based on nearest neighbor interaction are used. In this kind of models it is difficult to explain the existence of secondary structures --- special preferred conformations of protein…

Soft Condensed Matter · Physics 2013-12-17 S. V. Kozyrev , I. V. Volovich

We consider random walk model of a semi-flexible polymer chain on a square and a cubic lattice to enumerate conformations of the polymer chain in two and three dimensions, respectively. The bending energy of the chain is assumed as the key…

Soft Condensed Matter · Physics 2020-08-04 Pramod Kumar Mishra

We study the model of a partially directed flexible or semi-flexible homopolymer on a square lattice, subject to an externally applied force, in a direction either parallel to, or perpendicular to the preferred direction. The polymer is…

Statistical Mechanics · Physics 2015-05-19 Pui-Man Lam , Yi Zhen

A number of recent experiments have provided detailed observations of the configurations of long DNA strands under nano-to-micrometer sized confinement. We therefore revisit the problem of an excluded volume polymer chain confined between…

Soft Condensed Matter · Physics 2011-03-23 Debasish Chaudhuri , Bela Mulder

A coarse grained model for flexible polymers end-grafted to repulsive spherical nanoparticles is studied for various chain lengths and grafting densities under good solvent conditions, by Molecular Dynamics methods and density functional…

Soft Condensed Matter · Physics 2015-05-18 Federica Lo Verso , Sergei A. Egorov , Andrey Milchev , Kurt Binder