1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
Recovering the reptation dynamics of polymer melts in dissipative particle dynamics simulations via slip-springs
Rent:
Rent this article for
USD
10.1063/1.4794156
/content/aip/journal/jcp/138/10/10.1063/1.4794156
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/10/10.1063/1.4794156
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Measures of the chain structure: (a) Radius of gyration plotted against N. The line with slope +1 is a guide to the eye to show agreement with the scaling law. (b) Mean square internal distance d(s) for the chain length N = 100 scaled by the bead distance s. Empty symbols illustrate the system without slip-springs, i.e., classical DPD simulation. Filled symbols show the behavior of the system with slip-springs.

Image of FIG. 2.
FIG. 2.

Mean square displacement of the central bead g 1,mid (t) scaled by t 1/2 for chains without (dashed curves) and with slip-springs (solid curves). The chain length N varies from 10 to 100. The line is a guide to the eye and shows the t 1 regime.

Image of FIG. 3.
FIG. 3.

Mean square displacement of the central bead g 1,mid (t) scaled by t 1/4 for chains without (dashed curves) and with slip-springs (solid curves). The chain length N varies from 10 to 100. The two lines are guides to the eye and show the t 1 and t 1/2 regime, respectively.

Image of FIG. 4.
FIG. 4.

Anisotropy coefficient A cm (t) for chains without (empty symbols) and with slip-springs (filled symbols). The chain length N = 100 is considered either completely (circles) or without the last 20 beads at both chain ends (squares).

Image of FIG. 5.
FIG. 5.

Zero shear relaxation modulus G(t) for chains without (dashed curves) and with slip-springs (solid curves). The chain length N ranges from 40 to 100. The straight line is a guide to the eye and demonstrates the Rouse scaling with t −1/2.

Image of FIG. 6.
FIG. 6.

Zero shear relaxation modulus G(t) for chains without (dashed curves) and with slip-springs (solid curves) multiplied by t 1/2 to point out Rouse behavior as horizontal line. The chain length N ranges from 40 to 100.

Image of FIG. 7.
FIG. 7.

Diffusion coefficient of the center of mass D com scaled by 6N as a function of chain length for chains without (empty symbols) and with slip-springs (filled symbols). The two lines are guides to the eye and demonstrate the diffusion power law for reptation dynamics (−2) and the experimentally observed scaling behavior (−2.3).

Image of FIG. 8.
FIG. 8.

Rotational relaxation time τ rot scaled by N −2 against the chain length N for chains without (filled symbols) and with slip-springs (empty symbols). The two lines are guides to the eye and show the power 3 scaling law for reptation dynamics and power 3.4 scaling behavior observed from experiments.

Image of FIG. 9.
FIG. 9.

Relaxation modulus G(t) in comparison with KG simulations to evaluate computational efficiency of the DPD slip-spring model. The KG chains are shown by symbols and their length N = 50, 100 and 200 from left to right. The DPD slip-spring chains are shown by solid curves with the length N = 8, 15, and 30 from left to right.

Image of FIG. 10.
FIG. 10.

Mean square displacement of the central bead g 1,mid (t) scaled by t 1/4 for systems with different MC sequence lengths. The DPD sequence length is same for all systems, i.e., nDPD = 500. Hereby, nMC = 500 is the system on which the dynamical analysis from the Results section was carried out.

Image of FIG. 11.
FIG. 11.

Mean square displacement of the central bead g 1,mid (t) scaled by t 1/4 for systems with different DPD and MC sequence lengths. The ratio nDPD/nMC is unity for all systems. Hereby, nDPD = nMC = 500 refers to the system on which the dynamical analysis from the Results section was carried out.

Image of FIG. 12.
FIG. 12.

Mean square displacement of the central bead g 1,mid (t) scaled by t 1/2 to amplify the onset of the disengagement time τ d for systems with different DPD and MC sequence lengths. The ratio nDPD/nMC is unity for all systems. Hereby, nDPD = nMC = 500 refers to the system on which the dynamical analysis from the Results section was carried out.

Loading

Article metrics loading...

/content/aip/journal/jcp/138/10/10.1063/1.4794156
2013-03-14
2014-04-20
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Recovering the reptation dynamics of polymer melts in dissipative particle dynamics simulations via slip-springs
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/10/10.1063/1.4794156
10.1063/1.4794156
SEARCH_EXPAND_ITEM