Data for Dynamic Masks and External Fields in Periodic Self-Consistent Field Theory: A Case Study on Double-Gyroid Thin Films

Magruder, Benjamin
Dorfman, Kevin
2025-07-03
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https://doi.org/10.13020/9qtc-h185
 https://hdl.handle.net/11299/273764
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2024-09-01
2025-06-01

Date completed

2025-06-01

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Title

Data for Dynamic Masks and External Fields in Periodic Self-Consistent Field Theory: A Case Study on Double-Gyroid Thin Films

Published Date

2025-07-03

Authors

Group

Dorfman research group

Author Contact

Dorfman, Kevin
dorfman@umn.edu

Type

Dataset
Simulation Data

Abstract

The data set contains the results of thin-film self-consistent field theory calculations for the double-gyroid phase and other related phases in AB diblock polymers. All results used to construct the figures in the manuscript are included in this data set, along with many of the scripts used to perform the analysis in the manuscript. The PSCF software package (C++ version, v1.2) was used to generate this dataset (https://github.com/dmorse/pscfpp).

Description

The PSCF software package (C++ version) was used to generate this dataset (https://github.com/dmorse/pscfpp). See software documentation for description of input and output files. The README file included with this data upload and additional README files in the zip files provide an in-depth description of the directory structure and the general organization of this data set. The manuscript in Macromolecules contains a physical description of the systems studied in this data set, including motivations and interpretation of the results.

Referenced by

Magruder, B. & Dorfman, K. (2025). Dynamic Masks and External Fields in Periodic Self-Consistent Field Theory: A Case Study on Double-Gyroid Thin Films Macromolecules. UNDER REVIEW

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

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

Funding information

This work was supported by the National Science Foundation through the University of Minnesota MRSEC under Award Number DMR-2011401. Software development for this work was supported by NSF Award Number OAC-2103627.

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Suggested citation

Magruder, Benjamin; Dorfman, Kevin. (2025). Data for Dynamic Masks and External Fields in Periodic Self-Consistent Field Theory: A Case Study on Double-Gyroid Thin Films. Retrieved from the Data Repository for the University of Minnesota (DRUM), https://doi.org/10.13020/9qtc-h185.

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README.txt
Description of files and data
(6.68 MB)

fig1.zip
Files used to generate Figure 1
(71.05 MB)

fig2.zip
Files used to generate Figure 2
(43.12 MB)

fig3.zip
Files used to generate Figure 3
(1.48 GB)

fig4.zip
Files used to generate Figure 4
(3.03 GB)

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