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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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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Dataset
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.
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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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