Data for "Identifying a critical micelle temperature in simulations of disordered asymmetric diblock copolymer melts"

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Persistent link to this item

https://doi.org/10.13020/rhjm-c008
https://hdl.handle.net/11299/225056

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Keywords

Diblock copolymer

critical micelle temperature

molecular dynamics simulations

disordered micelles

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Title

Data for "Identifying a critical micelle temperature in simulations of disordered asymmetric diblock copolymer melts"

Published Date

2021-10-18

Authors

Chawla, Anshul

Bates, Frank S

Dorfman, Kevin D

Morse, David C

Group

University of Minnesota

Author Contact

Chawla, Anshul
chawl029@umn.edu

Type

Dataset
Simulation Data

Abstract

We have used coarse-grained molecular dynamics simulations to identify a critical micelle temperature in a diblock copolymer melt by analyzing the appearance of micelles. The files contain the data and an example simulation file which can be used with Hoomd-blue version 2.9.0. The data has been published as "Identifying a critical micelle temperature in simulations of disordered asymmetric diblock copolymer melts" in Physical Review Materials.

Description

With this data, one can plot all the figures given in the publication "Identifying a critical micelle temperature in simulations of disordered asymmetric diblock copolymer melts". An example simulation file is also given as a reference.

Referenced by

https://doi.org/10.1103/PhysRevMaterials.5.L092601

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License

CC0 1.0 Universal
http://creativecommons.org/publicdomain/zero/1.0/

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Collections

Data Repository for U of M (DRUM)
Dorfman Group Research Data
MRSEC Research Data

Funding information

This work was supported primarily by NSF grant DMR-1719692. Most of the work was carried out using computational resources provided by the Minnesota Supercomputing Institute (MSI) at the University of Minnesota and part of this work used equipment supported by funding from the National Science Foundation through the UMN MRSEC under Award Number DMR-2011401.

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Previously Published Citation

Suggested citation

Chawla, Anshul; Bates, Frank S; Dorfman, Kevin D; Morse, David C. (2021). Data for "Identifying a critical micelle temperature in simulations of disordered asymmetric diblock copolymer melts". Retrieved from the Data Repository for the University of Minnesota (DRUM), https://doi.org/10.13020/rhjm-c008.

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