Data files for Liquid-Like States in Micelle-Forming Diblock Copolymer Melts
2023-07-06
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2023-01-09
2023-05-03
2023-05-03
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2023-07-03
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Title
Data files for Liquid-Like States in Micelle-Forming Diblock Copolymer Melts
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2023-07-06
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Dorfman, Kevin D
dorfman@umn.edu
dorfman@umn.edu
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Simulation Data
Simulation Data
Abstract
These are the SCFT output and processed files reported in this paper. Instructions for regenerating all intermediate data files are also included.
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Referenced by
Dorfman, K. D., & Wang, Z.-G. (2023). Liquid-Like States in Micelle-Forming Diblock Copolymer Melts. ACS Macro Letters., 12(7), 980–985.
https://doi.org/10.1021/acsmacrolett.3c00259
https://doi.org/10.1021/acsmacrolett.3c00259
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Dorfman, Kevin D; Wang, Zhen-Gang. (2023). Data files for Liquid-Like States in Micelle-Forming Diblock Copolymer Melts. Retrieved from the Data Repository for the University of Minnesota (DRUM), https://doi.org/10.13020/9ndx-w074.
View/Download file
| File View/Open | Description | Size |
|---|---|---|
| README.txt | Description of data | 1.59 MB |
| pscfParticleGen-main.zip | Git repository with all python files for running code. Requires an installation of pscf v1.0 | 8.79 MB |
| bcc calculations.zip | Calculations for bcc phase at different resolutions with and without symmetry constraints | 391.51 MB |
| hoomd.zip | HOOMD input files for the Kob-Anderson fluid. The HOOMD drivers are in the git repository. | 43.17 MB |
| data analysis.zip | SCFT output, post-processed results, and plotting scripts | 105.71 MB |
| pscf calculations.zip | Directory structure for regenerating all SCFT results for disordered micellar liquids | 12.12 MB |
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