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The microscopic model of semi-crystalline polymer in high-elastic state is proposed. The model is based on the assumption that, below the melting temperature, the semi-crystalline polymer comprises crystal nuclei connected by stretched…

Soft Condensed Matter · Physics 2013-06-20 V. V. Atrazhev , S. F. Burlatsky , D. V. Dmitriev , V. I. Sultanov

We study the phase behavior of single homopolymers in a simple hydrophobic/hydrophilic off-lattice model with sequence independent local interactions. The specific heat is, not unexpectedly, found to exhibit a pronounced peak well below the…

Soft Condensed Matter · Physics 2009-10-31 Anders Irbäck , Erik Sandelin

In this paper we study the unfolding transition observed in polymer stretching experiments. We use a known model and extend it with a mean-field-like interaction. Expressions for all necessary thermodynamic variables as a function of the…

Statistical Mechanics · Physics 2007-05-23 Erik Van der Straeten , Jan Naudts

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 analyze the nonequilibrium dynamics of single inextensible semiflexible biopolymers as stretching forces are applied at the ends. Based on different (contradicting) heuristic arguments, various scaling laws have been proposed for the…

Soft Condensed Matter · Physics 2007-09-17 B. Obermayer , O. Hallatschek , E. Frey , K. Kroy

We study the conformational behavior of polarizable polymer chain under an external homogeneous electric field within the Flory type self-consistent field theory. We consider the influence of electric field on the polymer coil as well as on…

Soft Condensed Matter · Physics 2015-12-09 Yu. A. Budkov , A. L. Kolesnikov , M. G. Kiselev

The mechanical properties of polymer knots under stretching in a bad or good solvent are investigated by applying a given force $F$ to a point of the knot while keeping another point fixed. The Monte Carlo sampling of the polymer…

Soft Condensed Matter · Physics 2015-12-15 Yani Zhao , Franco Ferrari

By means of multicanonical computer simulations, we investigate thermodynamic properties of the aggregation of interacting semiflexible polymers. We analyze a mesoscopic bead-stick model, where nonbonded monomers interact via Lennard-Jones…

Soft Condensed Matter · Physics 2015-05-28 Christoph Junghans , Michael Bachmann , Wolfhard Janke

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

A self-interacting polymer with one end attached to a sticky surface has been studied by means of a flat-histogram stochastic growth algorithm known as FlatPERM. We examined the four-dimensional parameter space of the number of monomers up…

Statistical Mechanics · Physics 2009-11-10 J. Krawczyk , A. L. Owczarek , T. Prellberg , A. Rechnitzer

Within self-consistent field theory we study the phase behavior of a symmetrical binary AB polymer blend confined into a thin film. The film surfaces interact with the monomers via short range potentials. One surface attracts the A…

Statistical Mechanics · Physics 2007-05-23 M. Mueller , K. Binder , E. V. Albano

We employ the recently introduced generalized microcanonical inflection point method for the statistical analysis of phase transitions in flexible and semiflexible polymers and study the impact of the bending stiffness upon the character…

Soft Condensed Matter · Physics 2022-12-05 Dilimulati Aierken , Michael Bachmann

Understanding the role of self-propulsion on the conformational properties of active filamentous objects has relevance in biology. In this context, we consider a flexible bead-spring model polymer for which along with both attractive and…

Soft Condensed Matter · Physics 2022-02-22 Subhajit Paul , Suman Majumder , Wolfhard Janke

Force induced stretching of polymers is important in a variety of contexts. We have used theory and simulations to describe the response of homopolymers, with $N$ monomers, to force ($f$) in good and poor solvents. In good solvents and for…

Soft Condensed Matter · Physics 2009-11-13 Greg Morrison , Changbong Hyeon , N. M. Toan , Bae-Yeun Ha , D. Thirumalai

The presence of ordered structures such as helices in collapsed states of polymer chains is still an open question challenging physics and biology. In this work, we present a potential model for polymer chains with monomers that are not…

Soft Condensed Matter · Physics 2011-06-28 Sid Ahmed Sabeur , Mounira Bouarkat , Friederike Schmid

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

Recently it has been shown that a two-dimensional model of self-attracting polymers based on attracting segments displays two phase transitions, a theta-like collapse between swollen polymers and a globular state and another between the…

Soft Condensed Matter · Physics 2008-07-10 J. Krawczyk , A. L. Owczarek , T. Prellberg

Dynamics of a polymer chain in solution gets significantly affected by the temperature and the frictional forces arising due to solvent viscosity. Here, using an explicit solvent framework for polymer simulation with the liberty to tune the…

Soft Condensed Matter · Physics 2024-09-11 Suman Majumder , Henrik Christiansen , Wolfhard Janke

We consider a lattice model of a semiflexible homopolymer chain in a bad solvent. Beside the temperature $T$, this model is described by (i) a curvature energy $\varepsilon_h$, representing the stiffness of the chain (ii) a…

Condensed Matter · Physics 2009-10-28 S. Doniach , T. Garel , H. Orland

We study a model of two polymers confined to a slit with sticky walls. More precisely, we find and analyse the exact solution of two directed friendly walks in such a geometry on the square lattice. We compare the infinite slit limit, in…

Statistical Mechanics · Physics 2015-06-19 Thomas Wong , Aleksander L. Owczarek , Andrew Rechnitzer