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We examine the thermally-induced fracture of an unstrained polymer chain of discrete segments coupled by an anharmonic potential by means of Molecular Dynamics simulation with a Langevin thermostat. Cases of both under- and over-damped…

Soft Condensed Matter · Physics 2015-05-27 J. Paturej , A. Milchev , V. G. Rostiashvili , T. A. Vilgis

We report extensive numerical simulations of different models of 2D polymer rings with internal elasticity. We monitor the dynamical behavior of the rings as a function of the packing fraction, to address the effects of particle deformation…

Soft Condensed Matter · Physics 2021-06-07 Nicoletta Gnan , Fabrizio Camerin , Giovanni Del Monte , Andrea Ninarello , Emanuela Zaccarelli

Different aspects of protein folding are illustrated by simplified polymer models. Stressing the diversity of side chains (residues) leads one to view folding as the freezing transition of an heteropolymer. Technically, the most common…

Soft Condensed Matter · Physics 2007-05-23 T. Garel

The relaxational dynamics of 1+1 dimensional directed polymer in random potential is studied by Monte Carlo simulation. A series of temperature quench experiments is performed changing waiting times. Clear crossover from quasi-equilibrium…

Condensed Matter · Physics 2009-10-28 Hajime Yoshino

Two ring polymers close to each other in space may be either in a segregated phase if there is a strong repulsion between monomers in the polymers, or intermingle in a mixed phase if there is a strong attractive force between the monomers.…

Soft Condensed Matter · Physics 2022-11-23 EJ Janse van Rensburg , E Orlandini , MC Tesi , SG Whittington

The dynamics of particles interacting by key-lock binding of attached biomolecules are studied theoretically. Examples of such systems include DNA-functionalized colloids as well as nanoparticles grafted with antibodies to cell membrane…

Soft Condensed Matter · Physics 2007-05-23 Nicholas A. Licata , Alexei V. Tkachenko

We introduce novel sets of measures with the goal of describing dynamical properties of force networks in dense particulate systems. The presented approach is based on persistent homology and allows for extracting precise, quantitative…

Data Analysis, Statistics and Probability · Physics 2015-06-19 Miroslav Kramar , Arnaud Goullet , Lou Kondic , Konstantin Mischaikow

Using molecular dynamics simulations, we have determined that the nature of dynamical heterogeneity in jammed liquids is very sensitive to short-ranged attractions. Weakly attractive systems differ little from dense hard-sphere and…

Soft Condensed Matter · Physics 2007-05-23 David R. Reichman , Eran Rabani , Phillip L. Geissler

Stress relaxation following deformation of an entangled polymeric liquid is thought to be affected by transient reforming of chain entanglements. In this work, we use single molecule techniques to study the relaxation of individual polymers…

Soft Condensed Matter · Physics 2018-07-04 Yuecheng Zhou , Charles M. Schroeder

The long time dynamics of large particles trapped in two inhomogeneous turbulent shear flows is studied experimentally. Both flows present a common feature, a shear region that separates two colliding circulations, but with different…

Fluid Dynamics · Physics 2016-03-02 N Machicoane , M López-Caballero , L Fiabane , J-F Pinton , M Bourgoin , J Burguete , R Volk

We have performed parallel tempering Monte Carlo simulations using a simple continuum heteropolymer model for proteins. All ten heteropolymer sequences which we have studied have shown first-order transitions at low temperature to ordered…

Soft Condensed Matter · Physics 2010-01-05 J. E. Magee , J. Warwicker , L. Lue

We study a model of rolling particles subject to stochastic fluctuations, which may be relevant in systems of nano- or micro-scale particles where rolling is an approximation for strong static friction. We consider the simplest possible…

Mathematical Physics · Physics 2016-10-04 Miranda Holmes-Cerfon

The structural properties of a linear polymer and its evolution in time have a strong bearing on its anisotropic stress response. The mean-square bond length and mean bond angle are the critical parameters that influence the time-varying…

Soft Condensed Matter · Physics 2010-12-30 Prashant Kumar Srivastava , Kartik Venkatraman

The effects of randomly pinning particles in a model glass-forming fluid are studied, with a focus on the dynamically heterogeneous relaxation in the presence of pinning. We show how four-point dynamical correlations can be analysed in real…

Statistical Mechanics · Physics 2013-10-30 Robert L. Jack , Christopher J. Fullerton

We discuss theoretically the behavior of the velocity autocorrelation function in the Dissipative Particle Dynamics model. Two dynamical regimes are identified depending on the dimensionless model parameters. For low frictions a mean field…

Statistical Mechanics · Physics 2007-05-23 Pep Español , Mar Serrano

Power law potentials dictate interactions across scales and matter, controlling the structure and dynamics of inanimate, and living systems. Though the equilibrium distributions of particles with a power law repulsion were extensively…

Soft Condensed Matter · Physics 2025-03-04 Ido Fanto , Yuval Rosenblum , Ori Harel , Naomi Oppenheimer

The structure and mechanical properties of a simple two-dimensional model of a cohesive powder are investigated by molecular dynamics simulations. Micromechanical ingredients involve elasticity, friction, a short range attraction and,…

Disordered Systems and Neural Networks · Physics 2007-05-24 Francisco Gilabert , Jean-Noel Roux , Antonio Castellanos

We derive a mode-coupling theory for the slow dynamics of fluids confined in disordered porous media represented by spherical particles randomly placed in space. Its equations display the usual nonlinear structure met in this theoretical…

Soft Condensed Matter · Physics 2007-05-23 V. Krakoviack

Cells contain multiple condensates which spontaneously form due to the heterotypic interactions between their components. Although the proteins and disordered region sequences that are responsible for condensate formation have been…

Soft Condensed Matter · Physics 2024-06-25 Kyosuke Adachi , Kyogo Kawaguchi

Soft colloids allow to explore high density states well beyond random close packing. An important open question is whether softness controls the dynamics under these dense conditions. While experimental works reported conflicting results,…

Soft Condensed Matter · Physics 2021-06-08 Nicoletta Gnan , Emanuela Zaccarelli