This data set contains the input and output files from the PSCF C++ program used for the self-consistent field theory (SCFT) simulation in "Alternating gyroid in block polymer blends" by Park et al. (doi/10.1021/acsmacrolett.2c00115). Self-consistent field theory was used to investigate the stability of alternating gyroid phase in the ternary AB/BC/ABC block polymer mixture. With this dataset, users should be able to regenerate all the calculations that appeared in the paper, using the open-source C++ SCFT program.
With the data provided here, users can reproduce all the results of self-consistent field theory (SCFT) calculations presented in the paper "Alternating gyroid in block polymer blends" by Park et al. (doi/10.1021/acsmacrolett.2c00115). Each folder contains input files and output 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/).
Sponsorship: Sponsorship: This work was supported primarily by the National Science Foundation primarily through the University of Minnesota Materials Science Research and Engineering Center under Award No. DMR-2011401.
Park, S. J.; Bates, F. S.; Dorfman, K. D. Alternating Gyroid in Block Polymer Blends. ACS Macro Letters 2022, 11, 643−650.