Accurate Estimate of the Critical Exponent<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>ν</mml:mi></mml:math>for Self-Avoiding Walks via a Fast Implementation of the Pivot Algorithm

Clisby, Nathan

doi:10.1103/physrevlett.104.055702

Cited by 197 publications

(285 citation statements)

References 14 publications

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“…By fitting the power-law in logarithmic scale, one can obtain the values of ν listed in Table 1. As a comparison, with the renormalization group theory and Monte Carlo simulation, an accurate value of ν = 0.588 has been obtained [41,42]. Our results are in good agreement with this prediction as well as with previous CMD, BD and DPD simulations [17,20,43,44].…”

Section: Static Propertiessupporting

confidence: 79%

Simulation of Individual Polymer Chains and Polymer Solutions with Smoothed Dissipative Particle Dynamics

Litvinov

Xie

et al. 2016

Fluids

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Abstract:In an earlier work (Litvinov et al., Phys.Rev.E 77, 066703 (2008)), a model for a polymer molecule in solution based on the smoothed dissipative particle dynamics method (SDPD) has been presented. In the present paper, we show that the model can be extended to three-dimensional situations and simulate effectively diluted and concentrated polymer solutions. For an isolated suspended polymer, calculated static and dynamic properties agree well with previous numerical studies and theoretical predictions based on the Zimm model. This implies that hydrodynamic interactions are fully developed and correctly reproduced under the current simulated conditions. Simulations of polymer solutions and melts are also performed using a reverse Poiseuille flow setup. The resulting steady rheological properties (viscosity, normal stress coefficients) are extracted from the simulations and the results are compared with the previous numerical studies, showing good results.

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Section: Static Propertiessupporting

confidence: 79%

Simulation of Individual Polymer Chains and Polymer Solutions with Smoothed Dissipative Particle Dynamics

Litvinov

Xie

et al. 2016

Fluids

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“…Polymers below the transition are compact globules and their radius of gyration R scales with their length as R~N 1/3 . Much above the transition temperature, the only relevant inter-monomer interaction is excluded volume and R Ñ n SAW , where ν SAW 0.587 is the exponent of three-dimensional selfavoiding walks 35 . Once again, due to the tricritical nature of the transition, characterized by mean-field values of the exponents in three dimensions, at the transition point ISAW polymers behave as ideal chains, with the radius of gyration R scaling as the square root of the number of monomers (R~N 1/2 ).…”

Section: Resultsmentioning

confidence: 99%

First-order coil-globule transition driven by vibrational entropy

et al. 2012

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By shifting the balance between conformational entropy and internal energy, polymers modify their shape under external stimuli, such as changes in temperature. Prominent among such transformations is the coil-globule transition, whereby a polymer can switch from an entropydominated coil conformation to a globular one, governed by energy. The nature of the coilglobule transition has remained elusive, with evidence for both continuous and discontinuous transitions, with the two-state behaviour of proteins as an instance of the latter. Theoretical models mostly predict second-order transitions. Here we introduce a model that takes into consideration hitherto neglected features common to any polymer. We show that a firstorder phase transition smoothly appears as a function of the model parameters. our results can relieve part of the conflicts between theory and experiments in the field of protein folding, in the wake of recent studies tracing back the remarkable properties of proteins to basic polymer physics.

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“…Pictorial representation of a confined polymer as a string of DeGennes' blobs is the three-dimensional self-avoiding walk scaling exponent [53]. At the same time, the string of blobs can be viewed as being a two-dimensional self-avoiding walk, with the blobs being the effective monomeric units of the walk.…”

Section: Metric Propertiesmentioning

confidence: 99%

Numerical Study of Linear and Circular Model DNA Chains Confined in a Slit: Metric and Topological Properties

2012

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Advanced Monte Carlo simulations are used to study the effect of nano-slit confinement on metric and topological properties of model DNA chains. We consider both linear and circularised chains with contour lengths in the 1.2-4.8 µm range and slits widths spanning continuously the 50-1250nm range. The metric scaling predicted by de Gennes' blob model is shown to hold for both linear and circularised DNA up to the strongest levels of confinement. More notably, the topological properties of the circularised DNA molecules have two major differences compared to three-dimensional confinement. First, the overall knotting probability is nonmonotonic for increasing confinement and can be largely enhanced or suppressed compared to the bulk case by simply varying the slit width. Secondly, the knot population consists of knots that are far simpler than for threedimensional confinement. The results suggest that nano-slits could be used in nano-fluidic setups to produce DNA rings having simple topologies (including the unknot) or to separate heterogeneous ensembles of DNA rings by knot type.

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Accurate Estimate of the Critical Exponentνfor Self-Avoiding Walks via a Fast Implementation of the Pivot Algorithm

Cited by 197 publications

References 14 publications

Simulation of Individual Polymer Chains and Polymer Solutions with Smoothed Dissipative Particle Dynamics

Simulation of Individual Polymer Chains and Polymer Solutions with Smoothed Dissipative Particle Dynamics

First-order coil-globule transition driven by vibrational entropy

Numerical Study of Linear and Circular Model DNA Chains Confined in a Slit: Metric and Topological Properties

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