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The motion of polymers with inhomogeneous structure through nanopores is discussed theoretically. Specifically, we consider the translocation dynamics of polymers consisting of double-stranded and single-stranded blocks. Since only the…

Statistical Mechanics · Physics 2009-11-11 Stanislav Kotsev , Anatoly B. Kolomeisky

Transport of tracer particles through mesh-like environments such as biological hydrogels and polymer matrices is ubiquitous in nature. These tracers could be passive, such as colloids or active (self-propelled), such as synthetic…

Soft Condensed Matter · Physics 2022-12-08 Praveen Kumar , Rajarshi Chakrabarti

We investigate finite-size effects on diffusion in confined fluids using molecular dynamics simulations and hydrodynamic calculations. Specifically, we consider a Lennard-Jones fluid in slit pores without slip at the interface and show that…

Computational Physics · Physics 2017-03-16 Pauline Simonnin , Benoit Noetinger , Carlos Nieto-Draghi , Virginie Marry , Benjamin Rotenberg

Experiments using nanofluidic devices have proven effective in characterizing the physical properties of polymers confined to small cavities. Two recent studies using such methods examined the organization and dynamics of two DNA molecules…

Soft Condensed Matter · Physics 2022-12-29 Desiree A. Rehel , James M. Polson

Biological and artificial microswimmers often have to propel through a variety of environments, ranging from heterogeneous suspending media to strong geometrical confinement. Under confinement, local flow fields generated by microswimmers,…

Soft Condensed Matter · Physics 2024-06-04 Florian A. Overberg , Gerhard Gompper , Dmitry A. Fedosov

We consider the statics and dynamics of a flexible polymer confined between parallel plates both in the presence and absence of hydrodynamic interactions. The hydrodynamic interactions are described at the level of the fluctuating,…

Soft Condensed Matter · Physics 2012-11-01 Santtu T. T. Ollila , Colin Denniston , Mikko Karttunen , Tapio Ala-Nissila

A polymer chain containing $N$ monomers confined in a finite cylindrical tube of diameter $D$ grafted at a distance $L$ from the open end of the tube may undergo a rather abrupt transition, where part of the chain escapes from the tube to…

Soft Condensed Matter · Physics 2009-11-13 Hsiao-Ping Hsu , Kurt Binder , Leonid I. Klushin , Alexander M. Skvortsov

Brownian motion and viscoelasticity of semiflexible polymers is a subject that has been studied for many years. Still, rigorous analysis has been hindered due to the difficulty in handling the constraint that polymer chains cannot be…

Soft Condensed Matter · Physics 2024-05-22 Zhongqiang Xiong , Ryohei Seto , Masao Doi

Limited-valency colloidal particles can self-assemble into polymeric structures analogous to molecules. While their structural equilibrium properties have attracted wide attention, insight into their dynamics has proven challenging. Here,…

Soft Condensed Matter · Physics 2021-09-08 Simon Stuij , Joep Rouwhorst , Hannah Jonas , Nicola Ruffino , Zhe Gong , Stefanno Sacanna , Peter Bolhuis , Peter Schall

The micromixing time of impinging thin liquid sheets depends upon the energy dissipation rate. The kinetic energy released by the impingement has been previously studied and was found to be a function of the coefficient of restitution of…

Fluid Dynamics · Physics 2024-05-13 Robert J. Demyanovich

Polymer translocation through a nano-pore in a thin membrane is studied using a coarse-grained bead-spring model and Langevin dynamics simulation with a particular emphasis to explore out of equilibrium characteristics of the translocating…

Soft Condensed Matter · Physics 2015-05-14 Aniket Bhattacharya , Kurt Binder

Polymer translocation in crowded environments is a ubiquitous phenomenon in biological systems. We studied polymer translocation through a pore in free, one-sided (asymmetric), and two-sided (symmetric) crowded environments. Extensive…

Soft Condensed Matter · Physics 2024-03-01 Vrinda Garg , Rejoy Mathew , Riyan Ibrahim , Kulveer Singh , Surya K. Ghosh

In this work, molecular dynamics simulations are performed to estimate the equilibrium pressure of liquid confined in nanopores. The simulations show that the pressure is highly sensitive to the pore size and can significantly change from…

Soft Condensed Matter · Physics 2021-04-21 An Zou , Shalabh C. Maroo

It is often desirable to know the controlling mechanism of survival probability of nano - or microscale particles in small cavities such as, e.g., confined submicron particles in fiber beds of high-efficiency filter media or ions/small…

Soft Condensed Matter · Physics 2023-03-29 Shubhadip Nayak , Tanwi Debnath , Shovan Das , Debajyoti Debnath , Pulak K. Ghosh

The behavior of a confined spherical symmetric anomalous fluid under high external pressure was studied with Molecular Dynamics simulations. The fluid is modeled by a ore-softened potential with two characteristic length scales, which in…

Soft Condensed Matter · Physics 2014-08-21 José Rafael Bordin , Leandro B. Krott , Marcia C. B. Barbosa

This study focused on the expansion in polydisperse granular materials owing to mechanical annealing, which involved compression and decompression. Following minor annealing, the polydisperse systems exhibited compaction as well as the…

Soft Condensed Matter · Physics 2024-09-04 Daisuke S. Shimamoto , Miho Yanagisawa

We study translocation of semiflexible polymers driven by force $f_d$ inside a nanometer-scale pore using our three-dimensional Langevin dynamics model. We show that the translocation time $\tau$ increases with increasing bending rigidity…

Biological Physics · Physics 2018-06-27 Pauli M. Suhonen , Riku P. Linna

Polymers in confined spaces are compressed and have reduced conformational entropy, and will partially or fully escape from confinement if conditions are suitable. This is in particular the case for a polymer grafted in a pore. The escape…

Soft Condensed Matter · Physics 2024-08-05 CJ Bradly , EJ Janse van Rensburg

We perform equilibrium computer simulations of a two-dimensional pinned flexible polymer exposed to a quenched disorder potential consisting of hard disks. We are especially interested in the high-density regime of the disorder, where…

Soft Condensed Matter · Physics 2012-05-21 Sebastian Schöbl , Johannes Zierenberg , Wolfhard Janke

Polymer translocation in three dimensions out of planar confinements is studied in this paper. Three membranes are located at $z=-h$, $z=0$ and $z=h_1$. These membranes are impenetrable, except for the middle one at $z=0$, which has a…

Soft Condensed Matter · Physics 2008-01-29 Debabrata Panja , Gerard T. Barkema , Robin C. Ball