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The dynamics of single chains within a model polymer melt
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10.1063/1.1863852
/content/aip/journal/jcp/122/11/10.1063/1.1863852
http://aip.metastore.ingenta.com/content/aip/journal/jcp/122/11/10.1063/1.1863852
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Previous simulation data (Ref. 26) displaying results consistent with knot release behavior: (a) end-to-end vector autocorrelation function, (b) outer segment mean squared displacement, and (c) apparent self-diffusion coefficient vs reduced time. The dashed lines bound the time range when knot constraints appear to affect the system.

Image of FIG. 2.
FIG. 2.

Extended simulation data displaying results with increased time averaging: (a) end-to-end vector autocorrelation function, (b) outer segment mean squared displacement, and (c) apparent self-diffusion coefficient vs reduced time. The dashed lines bound the time range when knot constraints previously appeared to affect the system.

Image of FIG. 3.
FIG. 3.

Center of mass mean squared displacement for all 32 chains in the system vs reduced time.

Image of FIG. 4.
FIG. 4.

Center of mass mean squared displacement for a fast diffusing chain (chain 13), the system average, and a slow diffusing chain (chain 16) vs reduced time.

Image of FIG. 5.
FIG. 5.

Inner segment mean squared displacement for a fast diffusing chain (chain 13), the system average, and a slow diffusing chain (chain 16) vs reduced time.

Image of FIG. 6.
FIG. 6.

Outer segment mean squared displacement for a fast diffusing chain (chain 13), the system average, and a slow diffusing chain (chain 16) vs reduced time.

Image of FIG. 7.
FIG. 7.

Apparent diffusion coefficient for all 32 chains in the system vs reduced time.

Image of FIG. 8.
FIG. 8.

Apparent diffusion coefficient for a fast diffusing chain (chain 13), the system average, and a slow diffusing chain (chain 16) vs reduced time.

Image of FIG. 9.
FIG. 9.

End-to-end vector autocorrelation function for all 32 chains in the system vs reduced time.

Image of FIG. 10.
FIG. 10.

Histogram of the time required for the individual chain’s end-to-end vector autocorrelation function to relax to .

Image of FIG. 11.
FIG. 11.

End-to-end vector autocorrelation function for a slow relaxing chain (chain 21), the system average, and a fast relaxing chain (chain 29) vs reduced time.

Image of FIG. 12.
FIG. 12.

Histogram of the time required for the individual chain’s end-to-end vector autocorrelation function to relax to .

Image of FIG. 13.
FIG. 13.

End-to-end vector autocorrelation function for a slow relaxing chain (chain 4), the system average, and a fast relaxing chain (chain 28) vs reduced time.

Image of FIG. 14.
FIG. 14.

Dynamic behavior of a single chain, chain 9, displaying results consistent with knot release behavior: (a) end-to-end vector autocorrelation function, (b) outer segment mean squared displacement, and (c) apparent self-diffusion coefficient vs reduced time. The dashed lines bound the time range when knot constraints may affect the chain.

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/content/aip/journal/jcp/122/11/10.1063/1.1863852
2005-03-18
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: The dynamics of single chains within a model polymer melt
http://aip.metastore.ingenta.com/content/aip/journal/jcp/122/11/10.1063/1.1863852
10.1063/1.1863852
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