Data for Single Gyroid in H-shaped Block Copolymers

Park, Sojung
Bates, Frank S
Dorfman, Kevin D
2023-10-05
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https://doi.org/10.13020/dfr9-6m78
 https://hdl.handle.net/11299/257330
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Collection period

2023-02-28
2023-08-09

Date completed

2023-09-30

Date updated

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Volume Title

Title

Data for Single Gyroid in H-shaped Block Copolymers

Published Date

2023-10-05

Authors

Group

Dorfman Research Group - University of Minnesota Department of Chemical Engineering and Materials Science

Author Contact

Dorfman, Kevin D
dorfman@umn.edu

Type

Dataset
Simulation Data
Other Dataset

Abstract

This data set contains the input and output files from the PSCF C++ program used for the self-consistent field theory (SCFT) simulation in "Single Gyroid in H-shaped Block Copolymers." Self-consistent field theory was used to investigate the equilibrium phase behavior of H-shaped block copolymers. With this dataset, users should be able to regenerate all the calculations that appeared in the paper, using the open-source C++ SCFT program available on GitHub (https://github.com/dmorse/pscfpp).

Description

With the data provided here, users can reproduce all the results of self-consistent field theory (SCFT) calculations presented in the associated paper. The data set is split into the subdirectories 'figure#' corresponding to each figure in the main paper. Each folder contains input files to generate the converged solutions of the SCFT simulations for the corresponding figures in the paper. Information about the open-source C++ SCFT program is available at GitHub (https://github.com/dmorse/pscfpp) and the user manual page (https://dmorse.github.io/pscfpp-man/). For a detailed description of the data files, please read the readme file.

Referenced by

Related to

Park, S. J., Bates, F. S., & Dorfman, K. D. (2023). Single gyroid in H-shaped block copolymers. Physical Review Materials, 7(10), 105601.
 https://doi.org/10.1103/PhysRevMaterials.7.105601

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License

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

Publisher

Collections

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

Funding information

This work was supported primarily by the National Science Foundation through the University of Minnesota MRSEC under Award Number DMR-2011401.

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Suggested citation

Park, Sojung; Bates, Frank S; Dorfman, Kevin D. (2023). Data for Single Gyroid in H-shaped Block Copolymers. Retrieved from the Data Repository for the University of Minnesota (DRUM), https://doi.org/10.13020/dfr9-6m78.

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README.txt
Description of data
(673.78 KB)

H-polymer_project_data.tar.gz
Input and output data files for SCFT simulation
(1.89 GB)

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