Linear Viscoelastic Predictions Using a Single-Chain Mean-field Discrete Slip-link Model

2010 ◽  
Author(s):  
Tanya L. Chantawansri ◽  
Yelena R. Sliozberg ◽  
Jan W. Andzelm
Keyword(s):  
Mean Field ◽  
Single Chain ◽  
Linear Viscoelastic ◽  
Link Model

Self-Consistent Modeling of Constraint Release in a Single-Chain Mean-Field Slip-Link Model

2008 ◽  
Author(s):  
Jay D. Schieber ◽  
Renat Khaliullin ◽  
Albert Co ◽  
Gary L. Leal ◽  
Ralph H. Colby ◽  
...  
Keyword(s):  
Mean Field ◽  
Single Chain ◽  
Constraint Release ◽  
Self Consistent ◽  
Link Model

Self-Consistent Modeling of Constraint Release in a Single-Chain Mean-Field Slip-Link Model

2009 ◽  
Vol 42 (19) ◽  
pp. 7504-7517 ◽  
Author(s):  
Renat N. Khaliullin ◽  
Jay D. Schieber
Keyword(s):  
Mean Field ◽  
Single Chain ◽  
Constraint Release ◽  
Self Consistent ◽  
Link Model

scholarly journals Single Chain Mean-Field Theory Study on Responsive Behavior of Semiflexible Polymer Brush

Materials ◽  
2021 ◽  
Vol 14 (4) ◽  
pp. 778
Author(s):  
Yingli Niu ◽  
Xiangyu Bu ◽  
Xinghua Zhang
Keyword(s):  
Field Theory ◽  
Message Passing Interface ◽  
Mean Field Theory ◽  
Mean Field ◽  
Algorithmic Complexity ◽  
Ensemble Average ◽  
Single Chain ◽  
Metropolis Monte Carlo ◽  
Rigid Rod ◽  
Chain Conformations

The application of single chain mean-field theory (SCMFT) on semiflexible chain brushes is reviewed. The worm-like chain (WLC) model is the best mode of semiflexible chain that can continuously recover to the rigid rod model and Gaussian chain (GC) model in rigid and flexible limits, respectively. Compared with the commonly used GC model, SCMFT is more applicable to the WLC model because the algorithmic complexity of the WLC model is much higher than that of the GC model in self-consistent field theory (SCFT). On the contrary, the algorithmic complexity of both models in SCMFT are comparable. In SCMFT, the ensemble average of quantities is obtained by sampling the conformations of a single chain or multi-chains in the external auxiliary field instead of solving the modified diffuse equation (MDE) in SCFT. The precision of this calculation is controlled by the number of bonds Nm used to discretize the chain contour length L and the number of conformations M used in the ensemble average. The latter factor can be well controlled by metropolis Monte Carlo simulation. This approach can be easily generalized to solve problems with complex boundary conditions or in high-dimensional systems, which were once nightmares when solving MDEs in SCFT. Moreover, the calculations in SCMFT mainly relate to the assemble averages of chain conformations, for which a portion of conformations can be performed parallel on different computing cores using a message-passing interface (MPI).

Single-chain-in-mean-field simulations of weak polyelectrolyte brushes

2016 ◽  
Vol 145 (22) ◽  
pp. 224902 ◽  
Author(s):  
F. Léonforte ◽  
U. Welling ◽  
M. Müller
Keyword(s):  
Mean Field ◽  
Single Chain ◽  
Polyelectrolyte Brushes

scholarly journals Primitive-path statistics of entangled polymers: mapping multi-chain simulations onto single-chain mean-field models

2014 ◽  
Vol 16 (1) ◽  
pp. 015027 ◽  
Author(s):  
Rudi J A Steenbakkers ◽  
Christos Tzoumanekas ◽  
Ying Li ◽  
Wing Kam Liu ◽  
Martin Kröger ◽  
...  
Keyword(s):  
Mean Field ◽  
Single Chain ◽  
Entangled Polymers ◽  
Mean Field Models

Development of an Importance Sampling Single Chain Mean Field Theory for Polymer Adsorption onto a Flat Wall

2004 ◽  
Vol 37 (3) ◽  
pp. 1124-1133 ◽  
Author(s):  
Josep Bonet Avalos ◽  
Allan D. Mackie ◽  
Silvia Díez-Orrite
Keyword(s):  
Field Theory ◽  
Importance Sampling ◽  
Mean Field Theory ◽  
Mean Field ◽  
Polymer Adsorption ◽  
Single Chain ◽  
Flat Wall

scholarly journals Flagellar dynamics of a connected chain of active, polar, Brownian particles

2014 ◽  
Vol 11 (92) ◽  
pp. 20130884 ◽  
Author(s):  
Raghunath Chelakkot ◽  
Arvind Gopinath ◽  
L. Mahadevan ◽  
Michael F. Hagan
Keyword(s):  
First Passage Time ◽  
Mean Field ◽  
Experimental Tests ◽  
Passage Time ◽  
Scaling Analysis ◽  
Filament Length ◽  
Single Chain ◽  
First Passage ◽  
Brownian Particles ◽  
Propulsion Force

We show that active, self-propelled particles that are connected together to form a single chain that is anchored at one end can produce the graceful beating motions of flagella. Changing the boundary condition from a clamp to a pivot at the anchor leads to steadily rotating tight coils. Strong noise in the system disrupts the regularity of the oscillations. We use a combination of detailed numerical simulations, mean-field scaling analysis and first passage time theory to characterize the phase diagram as a function of the filament length, passive elasticity, propulsion force and noise. Our study suggests minimal experimental tests for the onset of oscillations in an active polar chain.

Morphology of multi-component polymer systems: single chain in mean field simulation studies

Soft Matter ◽  
2006 ◽  
Vol 2 (7) ◽  
pp. 573-583 ◽  
Author(s):  
Kostas Ch. Daoulas ◽  
Marcus Müller ◽  
Juan J. de Pablo ◽  
Paul F. Nealey ◽  
Grant D. Smith
Keyword(s):  
Mean Field ◽  
Simulation Studies ◽  
Single Chain ◽  
Polymer Systems ◽  
Field Simulation
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