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Multi-chain slip-spring model for entangled polymer dynamics
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10.1063/1.4758320
/content/aip/journal/jcp/137/15/10.1063/1.4758320
http://aip.metastore.ingenta.com/content/aip/journal/jcp/137/15/10.1063/1.4758320
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Schematic representation of the model. Bead-spring chains are dispersed in space and connected via slip-springs with each other to form a network.

Image of FIG. 2.
FIG. 2.

The squared end-to-end distance plotted against bond number.

Image of FIG. 3.
FIG. 3.

The internal distance factor d(s) for N = 8, 16, 32, and 64 indicated by square, triangle, cross and circle, respectively.

Image of FIG. 4.
FIG. 4.

The distribution of slip-spring number per chain Z c for N = 8, 16, 32, and 64 indicated by square, triangle, cross and circle, respectively. Poisson distributions with the average values of 2, 4, 8, and 16 are shown by solid curves.

Image of FIG. 5.
FIG. 5.

The mean square displacement of the central bead for N = 8, 16, 32, and 64 from left to right.

Image of FIG. 6.
FIG. 6.

The diffusion coefficient D plotted against the bead number N. Right panel shows comparison with the single chain model10 indicated by cross.

Image of FIG. 7.
FIG. 7.

The relaxation time for end-to-end vector τmax plotted against the bead number N.

Image of FIG. 8.
FIG. 8.

The linear relaxation modulus for N = 8, 16, 32, and 64 from left to right.

Image of FIG. 9.
FIG. 9.

The linear relaxation moduli for N = 8, 16, 32, and 64, calculated with two different expressions of the stress tensor (Eq. (38) shown by symbols and Eq. (39) shown by solid curves).

Image of FIG. 10.
FIG. 10.

The linear relaxation modulus in comparison with the Kremer-Grest simulations. For the Kremer-Grest simulations the bead numbers are 50, 100, and 200 and the data taken from Ref. 66 are shown by filled symbols according to left and bottom axes. For the present model the bead numbers are 16, 32, and 64 from left to right and the data are shown by unfilled symbols according to right and top axes.

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/content/aip/journal/jcp/137/15/10.1063/1.4758320
2012-10-15
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Multi-chain slip-spring model for entangled polymer dynamics
http://aip.metastore.ingenta.com/content/aip/journal/jcp/137/15/10.1063/1.4758320
10.1063/1.4758320
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