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We develop a theoretical and computational approach to deal with systems that involve a disparate range of spatio-temporal scales, such as those comprised of colloidal particles or polymers moving in a fluidic molecular environment. Our…

Soft Condensed Matter · Physics 2017-10-27 Adwait V. Datar , Maria Fyta , Umberto Marini Bettolo Marconi , Simone Melchionna

The dynamics of polymer-nanoparticle (NP) mixtures, which involves multiple scales and system-specific variables, has posed a long-standing challenge on its theoretical description. In this paper, we construct a microscopic theory for…

Soft Condensed Matter · Physics 2021-06-15 Bokai Zhang , Jian Li , Juan-mei Hu , Lei Liu

Using molecular dynamics simulations we examine the dynamics of a family of model polymers with varying chain length and torsional potential barriers. We focus on features of the dynamics of polymers that are seen experimentally but absent…

Soft Condensed Matter · Physics 2019-06-11 Daniel Fragiadakis , C. Michael Roland

The determination of the coil-globule transition of a polymer is generally based on the reconstruction of scaling laws, implying the need for samples from a rather wide range of different polymer lengths $N$. The spectral point of view…

Soft Condensed Matter · Physics 2022-01-05 Timothy Földes , Antony Lesage , Maria Barbi

A biological system consists of a variety of polymers that are synthesized from monomers, by catalysis that exists only for some long polymers. It is important to elucidate the emergence and sustenance of such autocatalytic polymerization.…

Chemical Physics · Physics 2018-09-13 Yoshiya J. Matsubara , Kunihiko Kaneko

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

By quantitative studies of statistics of polymer stretching in a random flow and of a flow field we demonstrate that the stretching of polymer molecules in a 3D random flow occurs rather sharply via the coil-stretch transition at the value…

Chaotic Dynamics · Physics 2009-11-10 S. Gerashchenko , C. Chevallard , V. Steinberg

Velocity relaxation of a spherically symmetric polymer, immersed in a viscous incompressible fluid, and after a sudden small impulse or a sudden twist from a state of rest, is studied on the basis of the linearized Navier-Stokes equations…

Fluid Dynamics · Physics 2015-06-17 B. U. Felderhof

We introduce a single generative mechanism with which it is able to describe diverse non-stationary diffusions. A non-stationary Markovian replication process for steps is considered, for which we analytically derive time-evolution of the…

Statistical Mechanics · Physics 2017-10-25 Yichul Choi , Hyun-Joo Kim

Molecular process of polymer collapse was reproduced by isothermal molecular dynamics simulation. The initial polymer chains were obtained by mean of random walks in continuum space. Two potential models were considered to represent short…

Soft Condensed Matter · Physics 2007-05-23 S. A. Sabeur , F. Hamdache , M. Bouarkat

A non-Newtonian flow of a polymer melt is discussed. The description of the exponential decrease of the apparent viscosity by the well-known Eyring formula with an activation energy reduction proportional to the shear stress does not take…

Soft Condensed Matter · Physics 2007-07-06 W. I. Kartsovnik , V. V. Pelekh

A cell is polarised when it has developed a main axis of organisation through the reorganisation of its cytosqueleton and its intracellular organelles. Polarisation can occur spontaneously or be triggered by external signals, like gradients…

Analysis of PDEs · Mathematics 2013-01-17 Vincent Calvez , Nicolas Meunier , Nicolas Muller , Raphael Voituriez

We study the dynamics of three particles in a finite interval, in which two light particles are separated by a heavy ``piston'', with elastic collisions between particles but inelastic collisions between the light particles and the interval…

Statistical Mechanics · Physics 2009-11-11 P. I. Hurtado , S. Redner

The long time dynamics of polymeric materials has been extensively studied in the past through various experimental techniques and computer simulations. While computer simulations typically treat generic, simplified models, experiments deal…

Soft Condensed Matter · Physics 2008-09-10 Vagelis A. Harmandaris , Kurt Kremer

The first passage times for enzymatic turnovers in non-equilibrium steady state display a statistical symmetry property related to non-equilibrium fluctuation theorems, that makes it possible to extract the chemical driving force from…

Biological Physics · Physics 2008-12-10 Martin Lindén

We study the dynamics of flexible, semiflexible, and self-avoiding polymer chains moving under a Kramers metastable potential. Due to thermal noise, the polymers, initially placed in the metastable well, can cross the potential barrier, but…

Soft Condensed Matter · Physics 2013-12-05 Jaeoh Shin , Timo Ikonen , Mahendra D. Khandkar , Tapio Ala-Nissila , Wokyung Sung

We construct a new statistical physical model of polymer translocation through a pore in a membrane treated as the diffusion process across a free energy barrier. We determine the translocation time in terms of chain flexibility yielding an…

Soft Condensed Matter · Physics 2015-06-25 W. Sung , P. J. Park

Inspired by recent experiments on chromosomal dynamics, we introduce an exactly solvable model for the interaction between a flexible polymer and a set of motor-like enzymes. The enzymes can bind and unbind to specific sites of the polymer…

Soft Condensed Matter · Physics 2019-04-03 Stefanie Put , Takahiro Sakaue , Carlo Vanderzande

We perform, with the help of cloud computing resources, extensive Langevin simulations which provide compelling evidence in favor of a general markovian framework for unbiased polymer translocation. Our statistical analysis consists of…

Statistical Mechanics · Physics 2015-06-04 Felipe Mondaini , L. Moriconi

Molecular motors interacting with cytoskeletal filaments undergo peculiar random walks consisting of alternating sequences of directed movements along the filaments and diffusive motion in the surrounding solution. An ensemble of motors is…

Statistical Mechanics · Physics 2007-05-23 Theo M. Nieuwenhuizen , Stefan Klumpp , Reinhard Lipowsky
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