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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

We present Monte Carlo data for a linear chain with excluded volume subjected to a uniform stretching. Simulation of long chains (up to 6000 beads) at high stretching allows us to observe the signature of tensile blobs as a crossover in the…

Soft Condensed Matter · Physics 2009-10-30 Carlo Pierleoni , Gianluigi Arialdi , Jean-Paul Ryckaert

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

When the local intrinsic stiffness of a polymer chain varies over a wide range, one can observe both a crossover from rigid-rod-like behavior to (almost) Gaussian random coils and a further crossover towards self-avoiding walks in good…

Soft Condensed Matter · Physics 2015-03-17 Hsiao-Ping Hsu , Wolfgang Paul , Kurt Binder

Single linear polymer chains in dilute solutions under good solvent conditions are studied by Monte Carlo simulations with the pruned-enriched Rosenbluth method up to the chain length $N \sim {\cal O}(10^4)$. Based on the standard simple…

Soft Condensed Matter · Physics 2015-06-24 Hsiao-Ping Hsu

The dynamic structure factor of semiflexible polymers in solution is derived from the wormlike chain model. Special attention is paid to the rigid constraint of an inextensible contour and to the hydrodynamic interactions. For the cases of…

Soft Condensed Matter · Physics 2009-10-28 Klaus Kroy , Erwin Frey

By large-scale Monte Carlo simulations of semiflexible polymers in $d=2$ dimensions the applicability of the Kratky-Porod model is tested. This model is widely used as "standard model" for describing conformations and force versus extension…

Soft Condensed Matter · Physics 2011-11-15 Hsiao-Ping Hsu , Wolfgang Paul , Kurt Binder

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 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 study the effects of scattering lengths on L\'evy walks in quenched one-dimensional random and fractal quasi-lattices, with scatterers spaced according to a long-tailed distribution. By analyzing the scaling properties of the random-walk…

Statistical Mechanics · Physics 2015-03-20 R. Burioni , S. di Santo , S. Lepri , A. Vezzani

The density crossover scaling of various thermodynamic properties of solutions and melts of self-avoiding and highly flexible polymer chains without chain intersections confined to strictly two dimensions is investigated by means of…

Soft Condensed Matter · Physics 2012-09-03 N. Schulmann , H. Meyer , P. Polińska , J. Baschnagel , J. P. Wittmer

An explicit expression is derived for the scattering function of a self-avoiding polymer chain in a $d$-dimensional space. The effect of strength of segment interactions on the shape of the scattering function and the radius of gyration of…

Statistical Mechanics · Physics 2007-05-23 A. D. Drozdov

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

We study the swelling of a flexible linear chain composed of active particles by analytical theory and computer simulation. Three different situations are considered: a free chain, a chain confined to an external harmonic trap, and a chain…

Soft Condensed Matter · Physics 2015-03-31 Andreas Kaiser , Sonja Babel , Borge ten Hagen , Christian von Ferber , Hartmut Löwen

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 investigate the dynamics and the pathways of the collapse of a single, semiflexible polymer in a poor solvent via 3-D Brownian Dynamics simulations. Earlier work indicates that the condensation of semiflexible polymers generically…

Soft Condensed Matter · Physics 2009-11-10 Alberto Montesi , Matteo Pasquali , F. C. MacKintosh

We calculate the coherent dynamical scattering function S_c(q,t;N) of a flexible chain of length N, diffusing through an ordered background of topological obstacles. As an instructive generalization, we also calculate the scattering…

Soft Condensed Matter · Physics 2009-11-07 Lothar Schäfer , Ute Ebert , Artur Baumgärtner

We describe method to discuss thermodynamics of a defected semi-flexible homo-polymer chain in the two and three dimensions using fully directed self-avoiding walk lattice model. The defects are located along a line and these defects are…

Soft Condensed Matter · Physics 2020-11-23 Pramod Kumar Mishra

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 report the results of extensive Dynamic Monte Carlo simulations of systems of self-assembled Equilibrium Polymers without rings in good solvent. Confirming recent theoretical predictions, the mean-chain length is found to scale as $\Lav…

Soft Condensed Matter · Physics 2009-10-31 J. P. Wittmer , A. Milchev , M. E. Cates
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