Abstract
In this brief article, we present results from coarse-grained molecular dynamics simulations which probed the relationship between the local segmental dynamics and the tagged monomer dynamics in lamellar phases of diblock copolymers. Our results demonstrate that monomer relaxation times do not provide directly a quantitatively accurate measure of the spatial variations in segmental dynamics. However, a convolution of the monomer density distributions with their corresponding relaxation times is shown to provide an approximate, but accurate, quantitative characterization of the average local segmental dynamics.
| Original language | English |
|---|---|
| Article number | 104901 |
| Journal | Journal of Chemical Physics |
| Volume | 147 |
| Issue number | 10 |
| DOIs | |
| State | Published - Sep 14 2017 |
| Externally published | Yes |
Funding
The authors thank Professor Richard Register and Professor Rodney Priestley for useful discussions. V.G. acknowledges funding in part by grants from the Robert A. Welch Foundation (Grant No. F1599) and to the Donors of the American Chemical Society Petroleum Research Fund for partial support of this research (No. 56715-ND9). The authors acknowledge the Texas Advanced Computing Center (TACC) for computing resources.
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