Data for Boundary Frustration in Double-Gyroid Thin Films

Magruder, Benjamin R
Morse, David C
Ellison, Christopher J
Dorfman, Kevin D
2024-02-29T16:30:59Z

Persistent link to this item

https://doi.org/10.13020/j4ak-ps65
 https://hdl.handle.net/11299/261442
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Data for Boundary Frustration in Double-Gyroid Thin Films

Published Date

2024-02-29T16:30:59Z

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Dorfman Group, UMN CEMS

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Dorfman, Kevin D
dorfman@umn.edu

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Dataset

Abstract

We have used self-consistent field theory to predict the morphology and preferred orientation of the double-gyroid phase in thin films of AB diblock polymers. A manuscript has been submitted containing this data, and is expected to appear shortly. The data were generated using the C++ version of the open-source software PSCF (https://pscf.cems.umn.edu/). All input and output files from PSCF used to generate the data in the paper are included in this dataset, as well as the code used to process the data and generate the figures.

Description

All input and output files from PSCF used to generate the data in the paper are included in this dataset, as well as the code used to process the data and generate the figures. Users should be able to replicate all results of our calculations using the PSCF software and the inputs/scripts in this dataset.

Funding Information

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

Referenced by

Magruder, B. R., Morse, D. C., Ellison, C. J., and Dorfman, K. D. (2024). "Boundary Frustration in Double-Gyroid Thin Films." Submitted.

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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)
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. The software development for this project was supported by NSF award OAC-2103627.

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View/Download file
File View/OpenDescriptionSize
README_Magruder.txtDescription of the data and scripts325.59 KB
211_oriented_thin_films.zipSCFT calculations for (211)-oriented thin films with varying termination planes1.65 GB
001_oriented_thin_films.zipSCFT calculations for (001)-oriented thin films with varying termination planes808.81 MB
111_oriented_thin_films.zipSCFT calculations for (111)-oriented thin films with varying termination planes1.96 GB
110_oriented_thin_films.zipSCFT calculations for (110)-oriented thin films with varying termination planes871.61 MB
gyr_angles_scripts_data.zipScripts/data used to calculate wetting angle distributions and related results1.87 GB
fig_2_scripts_data.zipScripts/data used to generate Figure 2 of the manuscript2.93 GB
other_scft_calculations_scripts.zipOther miscellaneous SCFT calculations and scripts used for the manuscript1.04 GB

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