On the relationship between the local segmental dynamics and the tagged monomer dynamics in lamellar phases of diblock copolymers

Vaidyanathan Sethuraman; Venkat Ganesan

doi:10.1063/1.5001022

On the relationship between the local segmental dynamics and the tagged monomer dynamics in lamellar phases of diblock copolymers

Vaidyanathan Sethuraman
, Venkat Ganesan

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

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 (US)
Article number	104901
Journal	Journal of Chemical Physics
Volume	147
Issue number	10
DOIs	https://doi.org/10.1063/1.5001022
State	Published - Sep 14 2017
Externally published	Yes

Bibliographical note

Funding Information:
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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© 2017 Author(s).

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10.1063/1.5001022

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title = "On the relationship between the local segmental dynamics and the tagged monomer dynamics in lamellar phases of diblock copolymers",

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.",

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N1 - Funding Information: 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. Publisher Copyright: © 2017 Author(s).

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N2 - 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.

AB - 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.

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JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

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On the relationship between the local segmental dynamics and the tagged monomer dynamics in lamellar phases of diblock copolymers

Abstract

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