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Polymer chains undergoing a continuous adsorption-desorption transition are studied through extensive computer simulations. A three-dimensional self-avoiding walk lattice model of a polymer chain grafted onto a surface has been treated for…

Statistical Mechanics · Physics 2018-05-30 P. H. L. Martins , J. A. Plascak , M. Bachmann

The results obtained from molecular dynamics simulations of the friction at an interface between polymer melts and weakly attractive crystalline surfaces are reported. We consider a coarse-grained bead-spring model of linear chains with…

Soft Condensed Matter · Physics 2012-06-12 Nikolai V. Priezjev

An applied tension force changes the equilibrium conformations of a polymer chain tethered to a planar substrate and thus affects the adsorption transition as well as the coil-globule and crystallization transitions. Conversely, solvent…

Soft Condensed Matter · Physics 2015-06-22 Jutta Luettmer-Strathmann , Kurt Binder

Lattice model of directed self avoiding walk has been solved analytically to investigate adsorption desorption phase transition behaviour of a semiflexible sequential copolymer chain on a two dimensional impenetrable surface perpendicular…

Statistical Mechanics · Physics 2010-02-23 Pramod Kumar Mishra

A polymer chain tethered to a surface may be compact or extended, adsorbed or desorbed, depending on interactions with the surface and the surrounding solvent. This leads to a rich phase diagram with a variety of transitions. To investigate…

Soft Condensed Matter · Physics 2009-11-13 Jutta Luettmer-Strathmann , Federica Rampf , Wolfgang Paul , Kurt Binder

We examine the phase transition of polymer adsorption as well as the underlying kinetics of polymer binding from dilute solutions on a structureless solid surface. The emphasis is put on the properties of regular multiblock copolymers,…

Soft Condensed Matter · Physics 2009-09-03 A. Milchev , V. Rostiashvili , S. Bhattacharya , T. Vilgis

We formulate and characterize a model to describe the dynamics of semiflexible polymers in the presence of activity due to motor proteins attached irreversibly to a substrate, and a transverse pulling force acting on one end of the…

Biological Physics · Physics 2016-02-12 Abhishek Chaudhuri , Debasish Chaudhuri

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

We consider a stiff polymer chain in poor solvent and apply a force at one end of the chain. We find that by varying the stiffness parameter, polymer undergoes a transition from the globule state to the folded like state. The conformation…

Soft Condensed Matter · Physics 2015-05-13 Sanjay Kumar , Debaprasad Giri

We use the lattice model of directed walks to investigate the conformational as well as the adsorption properties of a semiflexible homopolymer chain immersed in a good solvent in two and three dimensions. To account for the stiffness in…

Statistical Mechanics · Physics 2009-11-07 P. K. Mishra , S. Kumar , Y. Singh

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

Using Langevin dynamics complemented by Wang-Landau Monte Carlo simulations, we study the phase behavior of single and multiple semiflexible polymer chains in solution under poor-solvent conditions. In the case of a single chain, we obtain…

The process of adsorption on a planar repulsive, "marginal" and attractive wall of long-flexible polymer chains with excluded volume interactions is investigated. The performed scaling analysis is based on formal analogy between the polymer…

Soft Condensed Matter · Physics 2009-10-08 Z. Usatenko

The endpoint distribution and dynamics of semiflexible fibers is studied by numerical simulation. A brief overview is given over the analytical theory of flexible and semiflexible polymers. In particular, a closed expression is given for…

Soft Condensed Matter · Physics 2013-06-13 Robert D. Groot

Using Molecular Dynamics simulations, we study the force-induced detachment of a coarse-grained model polymer chain from an adhesive substrate. One of the chain ends is thereby pulled at constant speed off the attractive substrate and the…

Soft Condensed Matter · Physics 2015-06-22 J. Paturej , A. Erbas , A. Milchev , V. G. Rostiashvili

We investigate theoretically the effect of polymer tension on the collective behavior of reversibly binding cross-links. For this purpose, we employ a model of two weakly bending wormlike chains aligned in parallel by a tensile force, with…

Biological Physics · Physics 2015-02-10 Panayotis Benetatos , Alice von der Heydt , Annette Zippelius

We analyze equilibrium properties and adsorption desorption phase transition behaviour of a linear semiflexible copolymer chain under constrained geometrical situation on square lattice in a good solvent. One dimensional stair shaped line…

Statistical Mechanics · Physics 2010-06-04 Pramod Kumar Mishra

We consider a model of self-avoiding walk on a lattice with on-site repulsion and an attraction for every vertex of the walk visited on the surface to study force-induced desorption of a linear polymer chain adsorbed on an attractive…

Statistical Mechanics · Physics 2007-05-23 P. K. Mishra , Sanjay Kumar , Yashwant Singh

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

Lattice model of directed self avoiding walk is used to investigate adsorption properties of a semiflexible sequential copolymer chain on an impenetrable curved surface on a hexagonal lattice in two dimensions. Walks of the copolymer chains…

Statistical Mechanics · Physics 2010-06-02 Pramod Kumar Mishra
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