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Predicting the exact many-body quantum dynamics of polarons in materials with strong carrier-phonon interactions presents a fundamental challenge, often necessitating one to adopt approximations that sacrifice the ability to predict the…

Chemical Physics · Physics 2024-11-27 Srijan Bhattacharyya , Thomas Sayer , Andrés Montoya-Castillo

The transport of deformable particles through porous media underlies a wealth of applications ranging from filtration to oil recovery to the transport and spreading of biological agents. Using direct numerical simulations, we analyze the…

Soft Condensed Matter · Physics 2020-06-09 Brato Chakrabarti , Charles Gaillard , David Saintillan

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

We present event distributions for the polymer translocation obtained by extensive Langevin dynamics simulations. Such distributions have not been reported previously and they provide new understanding of the stochastic characteristics of…

Soft Condensed Matter · Physics 2012-04-13 R. P. Linna , K. Kaski

Bilayer moir\'e structures have attracted significant attention recently due to their spatially modulated layer degrees of freedom. However, the layer-dependent transport mechanism in the moir\'e structures is still a problem to be…

Mesoscale and Nanoscale Physics · Physics 2024-03-01 Chao-Jie Ren , Zhao Gong , Hui-Ying Mu , Xing-Tao An , Wang Yao , Jian-Jun Liu

Brownian diffusion of rod-like polymers in the presence of randomly distributed spherical obstacles is studied using molecular dynamics (MD) simulations. It is observed that dependence of the reduced diffusion coefficient of these…

Soft Condensed Matter · Physics 2015-05-20 Farzaneh Sakha , Hossein Fazli

Directed polymers (strings) and semiflexible polymers (filaments) are one-dimensional objects governed by tension and bending energy, respectively. They undergo unbinding transitions in the presence of a short-range attractive potential.…

Statistical Mechanics · Physics 2010-11-11 Jan Kierfeld , Reinhard Lipowsky

We discuss the temporal distribution of dynamic processes in driven polymer transport inherent to flexible chains due to stochastic tension propagation. The stochasticity originates from the disordered initial configuration of an…

Soft Condensed Matter · Physics 2015-06-03 Takuya Saito , Takahiro Sakaue

In recent years polymer translocation, i.e., transport of polymeric molecules through nanometer-sized pores and channels embedded in membranes, has witnessed strong advances. It is now possible to observe single-molecule polymer dynamics…

Soft Condensed Matter · Physics 2013-09-13 Debabrata Panja , Gerard T. Barkema , Anatoly B. Kolomeisky

We study the driven translocation of a flexible polymer through an interacting conical pore using Langevin dynamics simulations. We find that, for a fixed value of externally applied force and pore polymer interaction strength, the mean…

Soft Condensed Matter · Physics 2021-02-17 Rajneesh Kumar , Abhishek Chaudhuri , Rajeev Kapri

The effect of sequence heterogeneity on polynucleotide translocation across a pore and on simple models of molecular motors such as helicases, DNA polymerase/exonuclease and RNA polymerase is studied in detail. Pore translocation of RNA or…

Statistical Mechanics · Physics 2009-11-10 Yariv Kafri , David K. Lubensky , David R. Nelson

We consider the rupture dynamics of a homopolymer chain pulled at one end at a constant loading rate r. Compared to single bond breaking, the existence of the chain introduces two new aspects into rupture dynamics: the non-Markovian aspect…

Soft Condensed Matter · Physics 2009-10-29 S. Fugmann , I. M. Sokolov

We study the translocation of a flexible polymer through a pore in a membrane induced by its adsorption on \trans side of the membrane. When temperature $T$ is higher than $T_c$, the adsorption-desorption transition temperature, attractive…

Soft Condensed Matter · Physics 2009-10-31 Pyeong Jun Park , Wokyung Sung

In this short note, a correction is made to the recently proposed solution [1] to a 1D biased diffusion model for linear DNA translocation and a new analysis will be given to the data in [1]. It was pointed out [2] by us recently that this…

Soft Condensed Matter · Physics 2013-08-23 Daniel Y. Ling , X. S. Ling

We revisit the one-dimensional stochastic model of Lubensky and Nelson [Biophys. J 77, 1824 (1999)] for the electrically driven translocation of polynucleotides through alpha-hemolysin pores. We show that the model correctly describes two…

Biological Physics · Physics 2015-06-11 Peter Reimann , Andreas Meyer , Sebastian Getfert

We employ a multiscale approach to model the translocation of biopolymers through nanometer size pores. Our computational scheme combines microscopic Langevin molecular dynamics (MD) with a mesoscopic lattice Boltzmann (LB) method for the…

Biological Physics · Physics 2011-11-10 Maria Fyta , Simone Melchionna , Efthimios Kaxiras , Sauro Succi

The effect of a finite torque on semiflexible polymers in a confined environment is investigated. It is shown how a new lengthscale appears in the strongly confined limit. The influence of a torque on the extension of biopolymers in…

Soft Condensed Matter · Physics 2013-01-18 Marc Emanuel

A novel combination of discontinuous molecular dynamics and the Langevin equation, together with an intermediate-resolution model, are used to carry out long (several $\mu$s) simulation and study folding transition and transport of proteins…

Soft Condensed Matter · Physics 2011-11-09 Leili Javidpour , Muhammad Sahimi , M. Reza Rahimi Tabar

While the characteristics of the driven translocation for asymptotically long polymers are well understood, this is not the case for finite-sized polymers, which are relevant for real-world experiments and simulation studies. Most notably,…

Biological Physics · Physics 2017-12-18 P. M. Suhonen , K. Kaski , R. P. Linna

The translocation of structured RNA or DNA molecules through narrow pores necessitates the opening of all base pairs. Here, we study the interplay between the dynamics of translocation and base-pairing theoretically, using kinetic Monte…

Biomolecules · Quantitative Biology 2009-11-11 Ralf Bundschuh , Ulrich Gerland