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In frameworks of the scaling theory of phase transitions and critical phenomena the quantitative dependence of macroscopic properties on nanostructural parameters in a polymeric material is revealed. The draw ratios at neck and at break are…

Soft Condensed Matter · Physics 2012-10-30 Andrei N. Yakunin

We explore the dynamics of a tracer in an active particle harmonic chain, investigating the influence of interactions. Our analysis involves calculating mean-squared displacements (MSD) and space-time correlations through Green's function…

Statistical Mechanics · Physics 2026-04-07 Subhajit Paul , Abhishek Dhar , Debasish Chaudhuri

We study the conformational dynamics within homo-polymer globules by solvent-implicit Brownian dynamics simulations. A strong dependence of the internal chain dynamics on the Lennard-Jones cohesion strength {\epsilon} and the globule size…

Soft Condensed Matter · Physics 2019-08-15 Thomas R. Einert , Charles E. Sing , Alfredo Alexander-Katz , Roland R. Netz

We present a hybrid computational method for simulating the dynamics of macromolecules in solution which couples a mesoscale solver for the fluctuating hydrodynamics (FH) equations with molecular dynamics to describe the macromolecule. The…

Soft Condensed Matter · Physics 2007-05-23 G. Giupponi , G. De Fabritiis , P. V. Coveney

We present a comparative study of two computer simulation methods to obtain static and dynamic properties of dilute polymer solutions. The first approach is a recently established hybrid algorithm based upon dissipative coupling between…

Soft Condensed Matter · Physics 2020-07-03 Tri T. Pham , Ulf D. Schiller , J. Ravi Prakash , Burkhard Duenweg

We investigate numerically the dynamical behaviour of a polymer chain collapsing in a dilute solution. The rate of collapse is measured with and without the presence of hydrodynamic interactions. We find that hydrodynamic interactions both…

Soft Condensed Matter · Physics 2009-11-07 N. Kikuchi , A. Gent , J. M. Yeomans

We analyze the dynamics of concentrated polymer solutions modeled by a 2D Smoluchowski equation. We describe the long time behavior of the polymer suspensions in a fluid. When the flow influence is neglected the equation has a gradient…

Analysis of PDEs · Mathematics 2025-09-17 Xingyu Li , Arghir Zarnescu

We present a new apparatus that probes simultaneously the macroscopic mechanical response and the microscopic motion in polymer networks under uni-axial strain. The setup leverages photon correlation imaging, a space- and time-resolved…

Soft Condensed Matter · Physics 2025-09-01 N. H. P. Orr , G. Prevot , T. Phou , L. Cipelletti

The nonequilibrium structural and dynamical properties of semiflexible active polar polymers subject to linear flow are studied by numerical simulations. Filaments are confined in two dimensions and immersed in a fluid described by the…

Soft Condensed Matter · Physics 2026-04-23 A. Lamura , R. G. Winkler

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

Reducing wall drag in turbulent pipe and channel flows is an issue of great practical importance. In engineering applications, end-functionalized polymer chains are often employed as agents to reduce drag. These are polymers which are…

Analysis of PDEs · Mathematics 2021-06-08 Theodore D. Drivas , Joonhyun La

Dynamics of a discrete polymer in time-dependent external potentials is studied with the master equation approach. We consider both stochastic and deterministic switching mechanisms for the potential states and give the essential equations…

Statistical Mechanics · Physics 2008-06-25 Janne Kauttonen , Juha Merikoski , Otto Pulkkinen

Characteristics of relaxed density profile and conformation of polymer chains are studied by a Monte Carlo simulation on a discrete lattice in three dimensions using different segmental (kink-jump $K$, crank-shaft $C$, reptation $R$)…

Soft Condensed Matter · Physics 2007-05-23 Frank W. Bentrem , Jun Xie , R. B. Pandey

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

We investigate the collective dynamics of self-propelled droplets, confined in a one dimensional micro-fluidic channel. On one hand, neighboring droplets align and form large trains of droplets moving in the same direction. On the other…

Soft Condensed Matter · Physics 2020-05-14 Pierre Illien , Charlotte de Blois , Yang Liu , Marjolein N. van der Linden , Olivier Dauchot

We expand on a recent study of a lattice model of interacting particles [Phys. Rev. Lett. 111, 110601 (2013)]. The adsorption isotherm and equilibrium fluctuations in particle number are discussed as a function of the interaction. Their…

Statistical Mechanics · Physics 2014-11-20 T. Becker , K. Nelissen , B. Cleuren , B. Partoens , C. Van den Broeck

We analyze diffusion of small particles in a solid polymeric medium taking into account a short range particle-polymer interaction. The system is modeled by a particle diffusion on a ternary lattice where the sites occupied by polymer…

Statistical Mechanics · Physics 2015-06-11 Federico Camboni , Andreas Koher , Igor M. Sokolov

The dynamics of polypropylene glycol, both neat and attached to silica nanoparticles, were investigated using elastic neutron backscattering and dielectric spectroscopy. The mean square displacement measured by the former is suppressed by…

Soft Condensed Matter · Physics 2017-05-03 M. Tyagi , R. Casalini , C. M. Roland

Spurred by an experimental controversy in the literature, we investigate the end-monomer dynamics of semiflexible polymers through Brownian hydrodynamic simulations and dynamic mean-field theory. Precise experimental observations over the…

Soft Condensed Matter · Physics 2009-06-20 Michael Hinczewski , Xaver Schlagberger , Michael Rubinstein , Oleg Krichevsky , Roland R. Netz

Slow dynamics in a fluid are studied in one of the most basic systems possible: polydisperse hard spheres. Monodisperse hard spheres cannot be studied as the slow down in dynamics as the density is increased is preempted by crystallisation.…

Soft Condensed Matter · Physics 2009-10-31 Richard P. Sear