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We present a numerical Monte Carlo analysis of a continuos spin Ising chain that can describe the statistical proterties of folded proteins. We find that depending on the value of the Metropolis temperature, the model displays the three…

统计力学 · 物理学 2011-02-01 M. N. Chernodub , Martin Lundgren , Antti J. Niemi

Nonmagnetic particles in a carrier ferrofluid acquire an effective dipolar moment when placed in an external magnetic field. This fact leads them to form chains that will roughen due to Brownian motion when the magnetic field is decreased.…

统计力学 · 物理学 2009-11-10 Renaud Toussaint , Geir Helgesen , Eirik G. Flekkøy

We investigate configuration dynamics of a flexible polymer chain in a bath of active particles with dynamic chirality, i.e., particles rotate with a deterministic angular velocity $\omega$ besides self-propulsion,by Langevin dynamics…

软凝聚态物质 · 物理学 2020-01-08 Xinshuang Liu , Huijun Jiang , Zhonghuai Hou

Molecular dynamics simulation methods are used to study the folding of polymer chains into packed cubic states. The polymer model, based on a chain of linked sites moving in the continuum, includes both excluded volume and torsional…

软凝聚态物质 · 物理学 2009-11-10 D. C. Rapaport

The properties of semiflexible polymers tethered by one end to an impenetrable wall and exposed to oscillatory shear flow are investigated by mesoscale simulations. A polymer, confined in two dimensions, is described by a linear bead-spring…

软凝聚态物质 · 物理学 2021-12-14 Antonio Lamura , Roland G. Winkler , Gerhard Gompper

A theoretical model is developed for predicting dynamic polymer depletion effects under the influence of fluid flow. The results are established by combining the two-fluid model and the self-consistent field theory. We consider a uniform…

软凝聚态物质 · 物理学 2012-08-02 Takashi Taniguchi , Yuichiro Arai , Remco Tuinier , Tai-Hsi Fan

When the local intrinsic stiffness of a polymer chain varies over a wide range, one can observe both a crossover from rigid-rod-like behavior to (almost) Gaussian random coils and a further crossover towards self-avoiding walks in good…

软凝聚态物质 · 物理学 2015-03-17 Hsiao-Ping Hsu , Wolfgang Paul , Kurt Binder

We perform linear stability analysis and nonlinear slender filament simulations of extensional necking in complex fluids and soft solids, during the stress relaxation process following an interrupted strain ramp. We start by deriving…

软凝聚态物质 · 物理学 2017-07-11 David M. Hoyle , Suzanne M. Fielding

A scaling relation for the disjoining pressure of strongly confined polymer fluids is proposed for the first time, which yields directly the scaling exponent, nu, of the radius of gyration for polymers. To test the proposed scaling relation…

软凝聚态物质 · 物理学 2015-03-11 Armando Gama Goicochea , Elías Pérez

The properties of a semiflexible polymer with fixed ends exposed to oscillatory shear flow are investigated by simulations. The two-dimensionally confined polymer is modeled as a linear bead-spring chain, and the interaction with the fluid…

软凝聚态物质 · 物理学 2021-12-14 Antonio Lamura , Roland G. Winkler

A brief review is presented of the scaling of complex fluids, polymers and polyelectrolytes in solution and in confined geometry, in thermodynamical, structural and rheology properties using equilibrium and nonequilibrium dissipative…

软凝聚态物质 · 物理学 2016-12-06 Armando Gama Goicochea

We analyse the nature of the confinement of an infinitely long (and finite) linear semiflexible homo-polymer chain confined in between two geometrical constraints (A&B) under good solvent condition in two dimensions. The constraints are…

软凝聚态物质 · 物理学 2017-10-16 Pramod Kumar Mishra

In this paper, the response of single three-dimensional phantom and self-avoiding polymers to localized step strains are studied for two cases in the absence of hydrodynamic interactions: (i) polymers tethered at one end with the strain…

软凝聚态物质 · 物理学 2009-01-17 Debabrata Panja

We discuss simulations of a simple model for polymer blends in the framework of the Rouse model. At odds with standard predictions, large dynamic asymmetry between the two components induces strong non-exponentiality of the Rouse modes for…

软凝聚态物质 · 物理学 2009-11-13 Angel J. Moreno , Juan Colmenero

Monte Carlo simulations are used to study the behavior of two polymers under confinement in a cylindrical tube. Each polymer is modeled as a chain of hard spheres. We measure the free energy of the system, F, as a function of the distance…

软凝聚态物质 · 物理学 2015-06-22 James M. Polson , Logan G. Montgomery

Folding and unfolding of biopolymers are often manipulated in experiment by tuning pH, temperature, single-molecule force or shear field. Here we carry out Brownian dynamics simulations to explore the behavior of a single self-attracting…

软凝聚态物质 · 物理学 2019-03-27 Yi-qi Xia , Wen-jie Shan , Wen-de Tian , Kang Chen , Yu-qiang Ma

The configurations taken by polymers embedded in out-of-equilibrium baths may have broad effects in a variety of biological systems. As such, they have attracted considerable interest, particularly in simulation studies. Here we analyze the…

软凝聚态物质 · 物理学 2022-12-16 Caleb J. Anderson , Guillaume Briand , Olivier Dauchot , Alberto Fernandez-Nieves

Spherical confinement can act either stabilizing or destabilizing on the collapsed state of a semi-flexible polymer. General free-energy arguments suggest that the order of the unconstrained collapse transition is the distinguishing factor:…

软凝聚态物质 · 物理学 2018-11-14 Martin Marenz , Johannes Zierenberg , Wolfhard Janke

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…

软凝聚态物质 · 物理学 2019-06-11 Daniel Fragiadakis , C. Michael Roland

Heterogeneous distribution of passive and active domains in the chromosome plays a crucial role for its dynamic organization within the cell nucleus. Motivated by that here we investigate the steady-state conformation and dynamics of a…

软凝聚态物质 · 物理学 2024-09-27 Suman Majumder , Subhajit Paul