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Motivated by the recent experimental observations of the DNA loop extrusion by protein motors, in this paper we investigate the statistical properties of the growing polymer loops within the ideal chain model. The loop conformation is…

Statistical Mechanics · Physics 2021-04-30 Dmitry Starkov , Vladimir Parfenyev , Sergey Belan

The impact of thermal fluctuations on the translocation dynamics of a polymer chain driven through a narrow pore has been investigated theoretically and by means of extensive Molecular-Dynamics (MD) simulation. The theoretical consideration…

Soft Condensed Matter · Physics 2015-06-12 J. L. A. Dubbeldam , V. G. Rostiashvili , A. Milchev , T. A. Vilgis

We present the reduction of generalized Langevin equations to a coordinate-only stochastic model, which in its exact form, involves a forcing term with memory and a general Gaussian noise. It will be shown that a similar…

Numerical Analysis · Mathematics 2019-10-04 Lina Ma , Xiantao Li , Chun Liu

By means of Brownian dynamics simulations we study the steady-state dynamic properties of a flexible active polymer in a poor solvent condition. Our results show that the effective diffusion constant of the polymer $D_{\rm eff}$ gets…

Soft Condensed Matter · Physics 2023-08-29 Suman Majumder , Subhajit Paul , Wolfhard Janke

We study the stress distribution in a polymer brush material over a range of graft densities using molecular dynamics (MD) simulations and theory. Flexible polymer chains are treated as beads connected by nonlinear springs governed by a…

Applied Physics · Physics 2019-03-27 M. Manav , M. Ponga , A. Srikantha Phani

The Langevin Equation for cooperative dynamics represents the dynamics of polymer melts with chains of increasing degree of polymerization, covering the full range of behavior from the unentangled to the entangled regime. This equation…

Soft Condensed Matter · Physics 2015-09-30 M. G. Guenza

We derive generalized Langevin equations (GLEs) for single beads in linear elastic networks. In particular, the derivations of the GLEs are conducted without employing normal modes, resulting in two distinct representations in terms of…

Soft Condensed Matter · Physics 2024-10-23 Soya Shinkai , Shuichi Onami , Tomoshige Miyaguchi

A fundamental theory is presented for the mechanical response of polymer networks undergoing large deformation which seamlessly integrates statistical mechanical principles with macroscopic thermodynamic constitutive theory. Our formulation…

Soft Condensed Matter · Physics 2020-07-06 Michael R. Buche , Meredith N. Silberstein

Motivated by subdiffusive motion of bio-molecules observed in living cells we study the stochastic properties of a non-Brownian particle whose motion is governed by either fractional Brownian motion or the fractional Langevin equation and…

Statistical Mechanics · Physics 2016-09-08 Jae-Hyung Jeon , Ralf Metzler

In the last years, a few experiments in the fields of biological and soft matter physics in colloidal suspensions have reported normal diffusion with a Laplacian probability distribution in the particles displacements (i.e., Brownian yet…

Soft Condensed Matter · Physics 2023-11-22 Francisco E. Alban Chacón , Erick A. Lamilla Rubio , Manuel S. Alvarez Alvarado

The Generalized Elastic Model (GEM) provides the evolution equation which governs the stochastic motion of several many-body systems in nature, such as polymers, membranes, growing interfaces. On the other hand a probe (\emph{tracer})…

Statistical Mechanics · Physics 2012-03-16 Alessandro Taloni , Aleksei Chechkin , Joseph Klafter

We study the Langevin dynamics of the standard random heteropolymer model by mapping the problem to a supersymmetric field theory using the Martin-Siggia-Rose formalism. The resulting model is solved non-perturbatively employing a Gaussian…

Statistical Mechanics · Physics 2009-11-07 Zoran Konkoli , John Hertz , Silvio Franz

A polymer model given in terms of beads, interacting through Hookean springs and hydrodynamic forces, is studied. Brownian dynamics description of this bead-spring polymer model is extended to multiple resolutions. Using this multiscale…

Chemical Physics · Physics 2018-06-13 Edward Rolls , Radek Erban

In this paper a lattice model for the diffusional transport of particles in the interphase cell nucleus is proposed. The dynamic behaviour of single chains on the lattice is investigated and Rouse scaling is verified. Dynamical dense…

Biological Physics · Physics 2015-05-13 Annika Wedemeier , Holger Merlitz , Chen-Xu Wu , Jörg Langowski

We investigate the kinetics of loop formation in flexible ideal polymer chains (Rouse model), and polymers in good and poor solvents. We show for the Rouse model, using a modification of the theory of Szabo, Schulten, and Schulten, that the…

Soft Condensed Matter · Physics 2007-11-13 Ngo Minh Toan , Greg Morrison , Changbong Hyeon , D. Thirumalai

We show via counterexamples that relative entropy between the solution of a Markovian master equation and the steady state is not a convex function of time. We thus let down a curtain on a possible formulation of a principle of…

Statistical Mechanics · Physics 2013-09-06 Matteo Polettini , Massimiliano Esposito

A new computational method is presented for study suspensions of charged soft particles undergoing fluctuating hydrodynamic and electrostatic interactions. The proposed model is appropriate for polymers, proteins and porous particles…

Soft Condensed Matter · Physics 2015-04-14 Juan P. Hernandez-Ortiz , Juan J. de Pablo

In this article, we focus on the sampling of the configurational Gibbs-Boltzmann distribution, that is, the calculation of averages of functions of the position coordinates of a molecular $N$-body system modelled at constant temperature. We…

Numerical Analysis · Mathematics 2025-04-30 Benedict Leimkuhler , Charles Matthews

Computer simulations are used to test whether a recently introduced generalization of Rosenfeld's excess-entropy scaling method for estimating transport coefficients in systems obeying molecular dynamics can be extended to predict long-time…

Soft Condensed Matter · Physics 2011-10-13 Mark J. Pond , Jeffrey R. Errington , Thomas M. Truskett

For reproducing the anomalous -- i.e., sub- or super-diffusive -- behavior in some stochastic dynamical systems, the Generalized Langevin Equation (GLE) has gained considerable popularity in recent years. Motivated by the question whether…

Soft Condensed Matter · Physics 2010-02-05 Debabrata Panja
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